data_2l9r_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 2l9r _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 ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.988 -0.375 . . . . 64.109999999999999 109.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -57.96 -44.08 86.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.439 0.695 . . . . 74.129999999999995 111.789 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 m -68.28 -34.51 76.3 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.527 0.731 . . . . 74.420000000000002 111.622 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.66 -38.5 86.97 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.934 0.894 . . . . 65.450000000000003 111.35 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.575 ' HA ' HD12 ' A' ' 19' ' ' LEU . 93.6 t -66.66 -33.5 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.168 0.587 . . . . 74.040000000000006 110.971 175.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.27 -42.89 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 122.428 0.291 . . . . 72.030000000000001 110.73 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.53 -40.82 96.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.533 0.733 . . . . 72.420000000000002 112.073 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 16' ' ' VAL . 67.9 mt -59.04 -41.87 88.86 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.657 -0.701 . . . . 75.329999999999998 110.762 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.29 -28.26 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.984 0.914 . . . . 71.129999999999995 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.2 -38.37 81.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.238 0.615 . . . . 75.329999999999998 110.556 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' HG2' HD21 ' A' ' 37' ' ' LEU . 17.9 tptp -69.73 -42.28 74.18 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.794 -0.639 . . . . 75.109999999999999 110.27 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.6 -44.21 94.68 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.85 1.26 . . . . 75.420000000000002 111.761 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -56.03 -41.04 74.36 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.027 0.931 . . . . 73.200000000000003 112.195 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -79.76 -44.73 20.15 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.396 0.678 . . . . 75.140000000000001 111.599 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.419 HE22 ' HG2' ' A' ' 33' ' ' GLU . 20.9 pt20 -142.28 128.17 19.45 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.568 0.699 . . . . 75.319999999999993 110.409 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -79.85 -26.72 40.27 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.638 0.775 . . . . 74.230000000000004 112.387 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -116.7 127.0 53.99 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.676 0.79 . . . . 73.409999999999997 110.129 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.26 133.48 45.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.75 0.42 . . . . 75.109999999999999 110.189 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.3 m -84.43 176.85 8.4 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.674 -0.861 . . . . 71.040000000000006 108.674 165.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.11 82.57 Favored Pre-proline 0 CA--C 1.577 1.981 0 N-CA-C 114.274 1.213 . . . . 74.019999999999996 114.274 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.81 -52.72 4.74 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.18 1.92 . . . . 62.5 114.343 174.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HG2' HE22 ' A' ' 26' ' ' GLN . 1.8 mp0 -65.1 -34.68 78.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.177 0.591 . . . . 72.340000000000003 111.784 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -72.2 -44.65 62.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.536 1.134 . . . . 74.310000000000002 111.375 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.68 -38.35 77.01 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.799 0.84 . . . . 75.049999999999997 111.748 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.547 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 81.1 t60 -62.63 -50.2 72.19 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.864 0.866 . . . . 74.299999999999997 111.386 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' A' ' 22' ' ' LYS . 53.8 tp -66.2 -35.94 81.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.776 0.431 . . . . 74.540000000000006 110.682 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.47 2.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.439 0.696 . . . . 60.009999999999998 111.434 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 64.5 pttt -62.95 -33.82 76.19 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.167 0.587 . . . . 73.319999999999993 112.575 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.5 -36.96 84.18 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.274 0.63 . . . . 75.430000000000007 112.098 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.48 5.11 41.79 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.113 0.565 . . . . 71.099999999999994 111.45 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 62.36 12.94 5.63 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 125.27 1.428 . . . . 74.040000000000006 113.632 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.13 177.53 7.76 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.397 1.079 . . . . 64.040000000000006 111.339 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.1 p -105.23 156.23 18.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.147 0.579 . . . . 70.019999999999996 109.707 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.14 -37.85 62.18 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.17 0.588 . . . . 74.109999999999999 111.575 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.2 m -57.34 -57.6 11.91 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.497 0.719 . . . . 72.310000000000002 111.686 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -56.43 -45.39 80.79 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.846 0.858 . . . . 64.439999999999998 112.483 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.17 -40.28 88.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-N 115.528 -0.76 . . . . 73.420000000000002 111.055 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.57 -37.74 80.15 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.579 0.752 . . . . 73.420000000000002 111.236 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 87.7 mt -62.83 -44.66 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.753 0.821 . . . . 75.430000000000007 109.79 174.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 77.6 t90 -61.31 -57.94 10.27 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.964 0.506 . . . . 74.349999999999994 110.948 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -58.63 -33.21 69.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.249 0.62 . . . . 65.340000000000003 112.534 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.08 -55.35 35.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.942 0.497 . . . . 72.239999999999995 110.662 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.09 -44.73 96.92 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.286 -0.87 . . . . 73.420000000000002 112.186 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 15.3 mmm-85 -65.13 -33.39 75.9 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.054 0.542 . . . . 74.319999999999993 112.408 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 122.703 0.401 . . . . 73.519999999999996 110.812 175.202 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 119.571 -0.252 . . . . 72.120000000000005 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -54.85 -57.04 13.2 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.643 0.777 . . . . 73.329999999999998 111.44 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.474 ' HA ' HD13 ' A' ' 17' ' ' ILE . 22.3 m -64.09 -33.86 76.73 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.084 0.954 . . . . 64.219999999999999 111.865 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 41' ' ' LEU . 59.5 tt0 -65.31 -47.26 77.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.966 0.907 . . . . 70.340000000000003 111.969 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.09 -37.41 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.322 0.649 . . . . 71.510000000000005 111.192 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 14' ' ' THR . 84.8 mt -56.85 -50.55 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.448 0.699 . . . . 75.040000000000006 111.475 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 14' ' ' THR . 8.1 mm-40 -61.66 -41.48 97.58 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.58 0.752 . . . . 74.540000000000006 111.891 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD23 HD23 ' A' ' 37' ' ' LEU . 70.1 mt -62.1 -40.64 96.55 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 115.047 -0.978 . . . . 73.230000000000004 111.359 173.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.17 -29.23 61.68 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.577 0.751 . . . . 73.549999999999997 112.595 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 74.0 mtp180 -62.45 -48.03 81.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.506 0.723 . . . . 71.319999999999993 110.631 172.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.2 tptt -69.73 -37.51 76.52 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.803 -1.09 . . . . 73.219999999999999 111.154 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 70.4 t80 -70.82 -36.83 73.12 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.021 0.928 . . . . 72.340000000000003 112.483 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -63.44 -38.39 90.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.528 0.731 . . . . 51.340000000000003 111.21 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.51 -36.89 57.5 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.43 -0.805 . . . . 73.209999999999994 111.048 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.34 132.68 11.92 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-O 121.638 0.732 . . . . 64.140000000000001 111.726 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -75.97 -33.6 59.78 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.054 0.941 . . . . 75.310000000000002 111.286 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.46 124.42 52.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.314 1.046 . . . . 72.450000000000003 110.151 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.13 152.06 21.3 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.045 0.45 . . . . 73.430000000000007 111.299 172.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -88.8 162.19 16.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.209 -0.663 . . . . 73.329999999999998 109.209 164.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.81 95.79 Favored Pre-proline 0 CA--C 1.575 1.941 0 N-CA-C 113.887 1.069 . . . . 74.230000000000004 113.887 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.41 -40.23 59.63 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.083 1.856 . . . . 74.420000000000002 113.517 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.04 -37.58 75.62 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.52 0.728 . . . . 74.129999999999995 112.057 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 57.7 ttp180 -69.54 -39.54 77.42 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.751 0.82 . . . . 72.340000000000003 110.753 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.95 82.01 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.844 0.858 . . . . 75.530000000000001 111.978 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.57 -47.48 85.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.784 0.834 . . . . 52.539999999999999 111.635 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD22 ' HG2' ' A' ' 22' ' ' LYS . 46.5 tp -68.02 -40.24 82.98 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.545 0.738 . . . . 74.319999999999993 110.976 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.41 68.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.51 0.724 . . . . 74.450000000000003 112.641 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -64.47 -37.72 88.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.99 0.516 . . . . 75.209999999999994 112.3 -176.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.6 -36.17 79.95 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.297 0.639 . . . . 62.299999999999997 111.745 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' HB3' HE21 ' A' ' 15' ' ' GLN . 92.7 mt -103.57 6.88 37.56 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.832 0.853 . . . . 72.340000000000003 112.616 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 58.6 22.64 10.02 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.761 1.225 . . . . 74.010000000000005 113.243 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.58 177.84 6.95 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.133 0.973 . . . . 73.140000000000001 110.385 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.2 p -106.54 160.43 15.43 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.094 -0.706 . . . . 74.530000000000001 109.094 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.36 -23.68 62.75 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.99 0.516 . . . . 73.239999999999995 111.634 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.1 m -63.87 -60.58 3.1 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.548 0.739 . . . . 63.420000000000002 110.422 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.45 -39.99 92.87 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.109 0.964 . . . . 74.120000000000005 112.295 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.37 -47.14 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.461 0.704 . . . . 75.049999999999997 111.177 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 7.4 ttpm? -65.22 -35.2 80.31 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 111.798 0.295 . . . . 72.530000000000001 111.798 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.22 -51.97 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.436 0.694 . . . . 73.120000000000005 109.87 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -55.41 -53.96 49.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.873 0.869 . . . . 75.030000000000001 110.432 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.83 -40.53 84.47 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.991 0.916 . . . . 75.219999999999999 112.759 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.11 -46.72 85.98 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.437 0.695 . . . . 74.310000000000002 111.719 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -79.28 -22.82 44.13 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.508 0.558 . . . . 75.030000000000001 112.508 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.63 -33.29 73.77 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.272 0.229 . . . . 73.200000000000003 111.253 168.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 121.307 0.575 . . . . 75.310000000000002 109.873 170.425 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.232 -0.285 . . . . 74.409999999999997 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.61 -61.33 2.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.414 0.686 . . . . 73.510000000000005 112.438 -173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.429 ' HA ' HD11 ' A' ' 17' ' ' ILE . 87.7 m -66.36 -30.58 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.384 0.674 . . . . 74.209999999999994 111.861 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.432 ' HG3' HD22 ' A' ' 41' ' ' LEU . 62.7 tt0 -62.03 -43.33 99.08 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.298 0.639 . . . . 65.230000000000004 111.481 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.441 ' HA ' HD13 ' A' ' 19' ' ' LEU . 79.3 t -64.85 -38.89 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.617 0.767 . . . . 71.200000000000003 111.192 173.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.429 HD11 ' HA ' ' A' ' 14' ' ' THR . 79.4 mt -55.69 -45.74 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 122.745 0.418 . . . . 73.430000000000007 110.593 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.39 -44.82 95.55 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.711 0.804 . . . . 71.530000000000001 111.762 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 37' ' ' LEU . 48.9 mt -58.22 -40.3 81.27 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.561 0.744 . . . . 71.010000000000005 111.436 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.03 -35.22 76.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.099 0.96 . . . . 74.219999999999999 111.569 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 56.8 mtp180 -63.83 -34.04 77.02 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.26 0.624 . . . . 74.109999999999999 111.38 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.583 ' HG2' HD21 ' A' ' 37' ' ' LEU . 52.5 tptt -80.82 -41.96 22.44 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.764 0.426 . . . . 72.030000000000001 110.82 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -64.01 -41.17 97.56 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.215 1.006 . . . . 74.420000000000002 112.049 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.7 p -63.67 -30.88 71.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.553 0.741 . . . . 73.510000000000005 112.356 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.26 -38.3 22.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.734 0.414 . . . . 72.530000000000001 111.262 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -150.72 132.18 14.71 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.256 0.622 . . . . 74.310000000000002 111.312 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -83.06 -25.3 32.22 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.374 0.67 . . . . 72.439999999999998 111.21 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -118.55 121.64 40.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.353 1.061 . . . . 74.219999999999999 109.948 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 34' ' ' ARG . 97.1 mt -96.49 141.25 30.0 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.241 0.616 . . . . 64.329999999999998 111.202 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -87.41 174.74 8.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.323 0.649 . . . . 74.519999999999996 109.697 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.99 98.37 Favored Pre-proline 0 CA--C 1.574 1.867 0 N-CA-C 114.317 1.228 . . . . 73.319999999999993 114.317 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.75 -46.47 13.76 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.902 1.735 . . . . 74.540000000000006 113.637 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.23 -40.72 86.38 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.897 0.879 . . . . 75.230000000000004 112.414 -173.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 48.5 ttp180 -69.18 -41.57 77.0 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.886 0.874 . . . . 75.109999999999999 111.447 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.17 74.73 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.419 0.687 . . . . 72.430000000000007 111.85 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -61.29 -44.62 96.92 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.74 0.816 . . . . 75.329999999999998 110.438 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD21 ' HG2' ' A' ' 22' ' ' LYS . 29.2 tp -71.62 -36.02 70.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.156 0.582 . . . . 71.310000000000002 111.188 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -51.47 69.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.465 0.706 . . . . 60.119999999999997 112.013 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -69.57 -34.91 74.83 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.44 0.533 . . . . 74.349999999999994 112.44 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.05 -37.07 85.75 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.203 0.601 . . . . 73.319999999999993 111.631 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 15' ' ' GLN . 95.6 mt -104.57 2.62 30.96 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.185 0.809 . . . . 75.109999999999999 113.185 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt 61.69 17.83 9.04 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.904 0.882 . . . . 74.129999999999995 113.082 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.88 179.93 7.63 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.252 1.021 . . . . 74.219999999999999 110.476 173.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -102.96 158.33 16.36 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.129 -0.693 . . . . 73.319999999999993 109.129 168.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.32 -33.6 63.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.16 0.584 . . . . 72.420000000000002 112.033 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -60.8 -50.99 71.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.764 0.825 . . . . 74.430000000000007 111.652 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -59.9 -48.52 81.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.478 0.711 . . . . 72.329999999999998 112.016 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.6 -46.52 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 C-N-CA 123.741 0.816 . . . . 75.25 111.785 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 86.3 tttt -58.49 -50.59 73.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.92 0.888 . . . . 74.230000000000004 112.36 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.92 -35.53 75.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.101 0.96 . . . . 75.230000000000004 111.475 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -60.25 -53.66 54.99 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.637 0.375 . . . . 75.319999999999993 110.329 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.75 -42.25 78.99 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.769 0.828 . . . . 75.209999999999994 112.335 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.35 -44.79 90.36 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.77 0.828 . . . . 75.319999999999993 111.863 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.71 -33.64 68.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.467 0.707 . . . . 73.510000000000005 111.567 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -38.07 89.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.693 0.397 . . . . 64.510000000000005 111.153 172.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.038 0.535 . . . . 73.230000000000004 110.601 172.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 118.746 -0.645 . . . . 74.219999999999999 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -50.97 -58.47 5.95 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.059 0.763 . . . . 72.430000000000007 113.059 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 96.4 m -63.39 -33.71 76.15 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.113 0.565 . . . . 73.430000000000007 111.485 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.489 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.5 tt0 -67.53 -41.25 84.68 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.321 1.048 . . . . 71.219999999999999 112.037 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.29 -44.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.299 0.64 . . . . 71.540000000000006 109.814 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.5 mt -59.89 -39.31 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.596 0.758 . . . . 73.420000000000002 111.342 176.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 14' ' ' THR . 22.9 mm-40 -62.63 -45.57 92.23 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.456 0.702 . . . . 74.109999999999999 111.228 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.5 mt -59.18 -38.19 79.22 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.619 0.768 . . . . 74.299999999999997 111.168 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.78 -30.36 67.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.907 0.883 . . . . 74.549999999999997 111.778 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.4 mtp180 -67.26 -34.74 78.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.002 0.521 . . . . 74.140000000000001 111.046 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HG2' HD21 ' A' ' 37' ' ' LEU . 54.4 tptt -75.89 -42.59 48.67 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.18 0.514 . . . . 74.129999999999995 110.66 173.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 87.6 t80 -61.42 -37.2 82.63 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.99 1.316 . . . . 72.230000000000004 111.922 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.2 p -63.9 -44.11 93.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.586 0.755 . . . . 62.409999999999997 112.508 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 111.576 0.213 . . . . 75.099999999999994 111.576 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -149.9 133.0 16.27 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.438 0.637 . . . . 70.319999999999993 111.154 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -79.58 -37.11 37.07 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.739 0.816 . . . . 75.420000000000002 111.385 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.87 123.73 49.52 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.263 1.025 . . . . 73.430000000000007 109.293 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.87 148.31 22.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 75.340000000000003 111.025 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -89.5 174.73 7.62 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.602 -0.888 . . . . 73.319999999999993 108.602 164.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.76 -48.17 94.33 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 113.199 0.815 . . . . 72.239999999999995 113.199 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.91 -44.46 24.99 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.493 1.462 . . . . 74.219999999999999 113.991 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 118.895 0.771 . . . . 72.299999999999997 112.311 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -67.26 -42.12 84.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.315 0.646 . . . . 71.239999999999995 111.774 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.72 77.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.343 0.657 . . . . 73.540000000000006 112.17 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -57.97 -50.56 72.95 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.86 0.464 . . . . 75.040000000000006 111.331 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' ' 22' ' ' LYS . 56.1 tp -59.38 -40.91 88.06 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.804 0.842 . . . . 74.109999999999999 111.722 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.47 12.73 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.602 0.761 . . . . 74.219999999999999 111.859 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.18 -31.49 71.07 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 113.268 0.84 . . . . 75.019999999999996 113.268 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.17 -34.06 75.71 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.074 0.549 . . . . 73.450000000000003 111.934 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' HB3' HE21 ' A' ' 15' ' ' GLN . 86.4 mt -107.62 3.8 25.21 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.597 0.759 . . . . 70.010000000000005 112.618 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 59.22 26.73 15.58 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 124.733 1.213 . . . . 73.450000000000003 113.585 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -87.61 178.59 6.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.526 1.13 . . . . 65.299999999999997 110.688 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -107.2 155.65 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.092 -0.706 . . . . 72.400000000000006 109.092 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.76 -26.4 65.66 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.558 0.577 . . . . 74.519999999999996 112.558 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -66.35 -49.43 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.944 0.498 . . . . 72.329999999999998 110.587 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.61 -43.2 99.39 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.461 0.704 . . . . 73.209999999999994 111.606 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.71 -37.29 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.439 0.696 . . . . 73.400000000000006 111.496 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.5 -50.0 69.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.399 0.68 . . . . 74.540000000000006 111.37 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.15 -38.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.869 0.867 . . . . 74.129999999999995 111.066 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 62.7 t90 -60.63 -58.84 6.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.289 0.636 . . . . 64.519999999999996 110.225 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.8 -32.62 65.88 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.105 0.78 . . . . 74.430000000000007 113.105 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.58 -51.77 57.2 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 122.838 0.455 . . . . 71.439999999999998 111.153 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.74 -43.38 94.27 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.634 0.774 . . . . 71.519999999999996 111.442 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -58.52 -50.08 75.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.831 0.853 . . . . 74.319999999999993 112.614 179.105 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.817 0.341 . . . . 74.439999999999998 111.693 178.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.38 -0.343 . . . . 74.209999999999994 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.42 -57.08 13.37 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.992 0.917 . . . . 74.409999999999997 112.524 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -63.72 -34.52 78.05 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.738 0.815 . . . . 64.310000000000002 111.815 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.44 -43.48 90.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.137 0.975 . . . . 65.549999999999997 111.83 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.57 -37.17 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.649 0.78 . . . . 62.229999999999997 110.593 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.6 mt -54.74 -46.92 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 122.979 0.511 . . . . 74.400000000000006 111.137 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -64.98 -42.68 94.33 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.397 0.679 . . . . 64.530000000000001 112.342 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.24 -36.93 85.3 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.817 0.847 . . . . 74.340000000000003 111.221 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.48 -41.9 88.28 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.66 1.184 . . . . 72.420000000000002 111.406 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 82.5 mtp180 -56.53 -47.26 79.75 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.66 0.784 . . . . 71.239999999999995 111.017 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' HG2' HD21 ' A' ' 37' ' ' LEU . 57.6 tptt -66.58 -41.82 87.95 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.455 -0.793 . . . . 75.5 111.362 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.88 -36.77 84.34 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.758 0.823 . . . . 74.530000000000001 111.93 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -65.86 -34.06 77.27 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.745 0.818 . . . . 74.450000000000003 112.837 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -82.92 -32.75 27.07 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.003 0.365 . . . . 75.120000000000005 111.423 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -157.63 134.21 9.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.099 0.559 . . . . 73.540000000000006 111.306 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -77.25 -47.26 20.6 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.959 0.504 . . . . 73.140000000000001 110.961 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -97.96 135.81 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.033 0.933 . . . . 73.439999999999998 110.529 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.34 154.87 17.85 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.168 0.509 . . . . 71.239999999999995 111.609 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.9 m -89.34 164.9 14.7 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.846 -0.798 . . . . 73.040000000000006 108.846 165.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.63 98.32 Favored Pre-proline 0 CA--C 1.572 1.817 0 N-CA-C 113.026 0.75 . . . . 73.140000000000001 113.026 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.83 -41.79 43.09 Favored 'Trans proline' 0 C--N 1.391 2.809 0 C-N-CA 122.032 1.822 . . . . 73.420000000000002 113.409 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.09 -42.11 97.04 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.357 0.663 . . . . 70.120000000000005 112.087 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -67.98 -40.94 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.384 0.674 . . . . 73.510000000000005 111.79 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.93 97.41 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.249 0.619 . . . . 64.340000000000003 111.73 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.75 -47.72 79.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.711 0.804 . . . . 70.239999999999995 111.517 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.549 HD21 ' HG2' ' A' ' 22' ' ' LYS . 41.9 tp -64.61 -37.94 89.3 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.641 0.776 . . . . 64.340000000000003 110.874 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.75 -55.62 28.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.973 0.909 . . . . 71.010000000000005 112.029 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -63.26 -39.49 94.74 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.631 0.604 . . . . 75.420000000000002 112.631 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.36 -38.29 90.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.383 0.673 . . . . 74.099999999999994 112.058 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.99 1.45 56.26 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.342 0.657 . . . . 75.530000000000001 111.922 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 62.79 17.7 10.1 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.751 1.22 . . . . 71.140000000000001 113.603 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.0 mt -82.89 -179.12 7.35 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.064 0.945 . . . . 71.5 110.45 171.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -113.25 167.44 10.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.407 0.683 . . . . 74.200000000000003 110.006 170.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.14 -24.32 66.19 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.753 0.421 . . . . 73.340000000000003 111.932 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.5 m -67.17 -55.26 14.89 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.107 0.563 . . . . 71.310000000000002 110.069 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.64 -53.85 53.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.188 0.995 . . . . 73.340000000000003 112.45 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -40.05 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 C-N-CA 123.271 0.628 . . . . 74.120000000000005 112.053 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -60.21 -50.45 73.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.661 0.384 . . . . 73.510000000000005 110.955 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.82 -40.13 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.541 0.736 . . . . 75.340000000000003 111.375 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -60.42 -59.77 4.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.096 0.558 . . . . 74.420000000000002 111.386 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.88 -34.55 71.77 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.278 0.631 . . . . 74.230000000000004 112.648 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.45 -48.56 79.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.92 0.888 . . . . 74.430000000000007 110.806 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.38 -45.35 93.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.894 0.878 . . . . 63.039999999999999 111.395 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -35.71 72.6 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.966 0.728 . . . . 74.120000000000005 112.966 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.897 0.38 . . . . 75.109999999999999 111.315 175.036 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.787 -0.449 . . . . 75.120000000000005 109.787 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.9 t60 -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.717 0.407 . . . . 73.530000000000001 110.675 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.7 m -64.3 -38.17 90.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.334 0.654 . . . . 74.019999999999996 110.76 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -47.35 85.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.752 0.821 . . . . 73.150000000000006 111.252 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.49 -39.77 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-N 116.061 -0.518 . . . . 74.329999999999998 111.046 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 13' ' ' HIS . 79.6 mt -59.02 -46.12 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 122.941 0.496 . . . . 61.229999999999997 111.084 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.4 -43.25 99.19 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.523 0.729 . . . . 73.409999999999997 111.609 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 HD22 ' A' ' 37' ' ' LEU . 69.4 mt -60.27 -41.92 94.3 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 123.851 0.86 . . . . 64.200000000000003 111.39 173.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.01 -35.87 77.15 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.132 0.973 . . . . 64.129999999999995 112.104 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.96 -38.34 82.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.409 0.684 . . . . 73.310000000000002 110.655 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' A' ' 37' ' ' LEU . 16.1 tppt? -73.2 -45.18 57.78 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.131 0.573 . . . . 63.439999999999998 110.962 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.82 -37.43 79.17 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.473 1.109 . . . . 73.150000000000006 111.656 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -61.89 -39.06 90.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.232 1.013 . . . . 73.329999999999998 112.579 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.11 -34.17 20.7 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.038 0.535 . . . . 73.340000000000003 111.798 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' NE2' HD23 ' A' ' 29' ' ' LEU . 19.7 pt20 -152.06 133.31 14.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.717 0.807 . . . . 72.030000000000001 110.846 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB3' HH11 ' A' ' 56' ' ' ARG . 46.8 mmtm -86.14 -20.22 28.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.74 0.816 . . . . 73.219999999999999 112.007 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -123.49 129.02 50.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.808 0.843 . . . . 71.319999999999993 110.576 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 34' ' ' ARG . 85.8 mt -99.2 137.18 38.08 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.572 0.749 . . . . 72.030000000000001 110.991 174.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 m -74.41 162.09 29.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.99 -0.744 . . . . 74.329999999999998 108.99 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.68 -45.79 98.57 Favored Pre-proline 0 CA--C 1.575 1.936 0 N-CA-C 113.929 1.085 . . . . 63.240000000000002 113.929 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -59.75 -45.37 25.41 Favored 'Trans proline' 0 C--N 1.39 2.737 0 C-N-CA 122.022 1.814 . . . . 75.299999999999997 113.725 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.47 -38.95 85.19 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.37 0.668 . . . . 70.319999999999993 111.876 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 29' ' ' LEU . 47.7 ttp180 -69.36 -40.8 77.26 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.048 0.939 . . . . 74.519999999999996 111.304 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.76 90.6 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.532 0.733 . . . . 74.519999999999996 111.577 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.61 -39.52 91.63 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.997 0.919 . . . . 75.049999999999997 111.386 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 22' ' ' LYS . 53.1 tp -74.75 -42.56 58.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.934 0.493 . . . . 75.019999999999996 110.94 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.8 90.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.599 0.76 . . . . 73.349999999999994 112.383 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -65.95 -33.09 75.02 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.73 0.641 . . . . 73.439999999999998 112.73 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -61.72 -36.74 81.81 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.023 0.529 . . . . 75.299999999999997 111.419 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.26 11.77 23.42 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.524 0.73 . . . . 74.340000000000003 112.025 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 55.7 17.44 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 114.304 1.224 . . . . 74.120000000000005 114.304 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.6 175.35 10.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.882 0.873 . . . . 70.439999999999998 110.402 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -102.21 157.33 16.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.877 -0.786 . . . . 74.140000000000001 108.877 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.83 -39.8 62.79 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 112.937 0.718 . . . . 74.329999999999998 112.937 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -65.67 -43.22 89.98 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.875 0.47 . . . . 73.239999999999995 111.732 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -57.3 -48.51 78.76 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.21 0.604 . . . . 75.299999999999997 111.761 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.92 -49.54 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.646 0.778 . . . . 71.329999999999998 111.735 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.13 80.89 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.435 0.694 . . . . 72.450000000000003 111.891 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.97 -34.36 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 118.922 -0.561 . . . . 74.430000000000007 110.711 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.5 t90 -56.25 -55.34 34.5 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.227 0.467 . . . . 72.430000000000007 109.777 172.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -49.66 -44.31 47.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.836 0.855 . . . . 72.239999999999995 111.856 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.69 -39.98 95.69 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 123.545 0.738 . . . . 74.450000000000003 112.151 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -64.15 -42.83 96.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.581 0.752 . . . . 65.329999999999998 110.433 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 12.0 mmm180 -69.43 -29.84 67.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.208 1.003 . . . . 75.349999999999994 112.54 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.41 HH11 ' HB3' ' A' ' 27' ' ' LYS . 66.2 mtp85 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.099 0.476 . . . . 71.319999999999993 110.796 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 110.175 -0.305 . . . . 73.430000000000007 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -56.68 -56.57 19.81 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 113.08 0.77 . . . . 75.430000000000007 113.08 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -65.49 -30.55 71.34 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 122.984 0.514 . . . . 54.119999999999997 111.773 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -66.33 -42.37 88.27 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.295 0.638 . . . . 73.310000000000002 111.293 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.95 -40.99 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.55 0.74 . . . . 75.219999999999999 109.992 172.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.52 -49.57 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.412 0.685 . . . . 74.230000000000004 111.263 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.03 -41.03 99.43 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.557 0.743 . . . . 73.140000000000001 112.179 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 37' ' ' LEU . 76.6 mt -63.01 -39.95 96.31 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.398 -0.819 . . . . 75.409999999999997 111.275 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -68.79 -36.15 77.92 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.007 0.923 . . . . 73.439999999999998 111.624 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.04 -51.32 69.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.444 0.698 . . . . 63.420000000000002 110.319 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 37' ' ' LEU . 55.0 tptt -61.89 -40.27 94.84 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 123.332 0.653 . . . . 75.209999999999994 111.129 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.29 -36.28 81.63 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.724 1.209 . . . . 74.040000000000006 111.013 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -63.42 -44.64 94.02 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.489 0.716 . . . . 75.219999999999999 111.901 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -77.08 -31.78 56.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.31 0.244 . . . . 75.549999999999997 111.177 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.41 136.05 10.34 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.432 0.693 . . . . 74.219999999999999 111.288 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -84.5 -32.0 24.19 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.006 0.922 . . . . 74.420000000000002 111.299 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.48 121.57 44.9 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.881 0.872 . . . . 73.450000000000003 110.587 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.47 139.27 32.0 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.167 0.587 . . . . 71.140000000000001 110.476 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -78.76 171.88 14.53 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.428 -0.582 . . . . 72.010000000000005 109.428 169.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.36 99.15 Favored Pre-proline 0 CA--C 1.573 1.827 0 N-CA-C 113.678 0.992 . . . . 71.040000000000006 113.678 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.12 -33.09 26.03 Favored 'Trans proline' 0 C--N 1.388 2.652 0 CA-C-N 121.209 1.467 . . . . 74.010000000000005 113.09 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.77 -43.18 59.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.821 0.848 . . . . 62.219999999999999 112.016 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.47 -40.29 89.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.645 0.778 . . . . 74.239999999999995 110.885 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.19 88.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.375 0.67 . . . . 72.25 111.631 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -65.61 -42.57 91.44 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.122 0.569 . . . . 74.5 111.208 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 22' ' ' LYS . 58.7 tp -65.9 -43.05 89.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.565 0.746 . . . . 75.530000000000001 110.878 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.76 30.69 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.655 0.782 . . . . 61.009999999999998 112.247 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -65.11 -36.23 83.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.492 0.553 . . . . 73.549999999999997 112.492 -174.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.65 -35.09 79.39 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.303 0.641 . . . . 74.510000000000005 112.087 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -98.63 10.05 41.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.602 0.761 . . . . 73.349999999999994 111.566 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 60.38 12.97 3.73 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.912 1.285 . . . . 74.310000000000002 113.498 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.86 177.85 7.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.493 1.117 . . . . 71.349999999999994 111.656 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -107.47 156.84 18.53 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.615 0.766 . . . . 73.129999999999995 109.613 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.09 -29.52 65.52 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.174 0.59 . . . . 73.409999999999997 112.401 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -63.38 -56.47 16.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.248 0.619 . . . . 72.049999999999997 110.481 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.5 -44.46 96.32 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.469 0.707 . . . . 74.450000000000003 112.656 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -42.78 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.036 0.534 . . . . 62.399999999999999 110.971 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.07 -38.49 91.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.069 0.548 . . . . 75.219999999999999 111.752 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.28 -48.61 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.326 0.651 . . . . 74.329999999999998 110.564 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -58.49 -51.56 69.34 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.112 0.565 . . . . 74.030000000000001 110.54 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.03 -42.25 76.21 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.606 0.762 . . . . 74.439999999999998 111.968 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.44 -49.02 73.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.69 0.796 . . . . 73.120000000000005 111.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.6 -40.64 95.55 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.402 0.681 . . . . 72.129999999999995 110.89 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -35.32 80.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.593 0.757 . . . . 75.420000000000002 111.562 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 . . . . . 0 CA--C 1.555 1.15 0 C-N-CA 124.302 1.041 . . . . 74.140000000000001 111.161 174.058 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.981 -0.533 . . . . 74.430000000000007 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -50.18 -59.54 3.83 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.5 0.72 . . . . 75.329999999999998 112.493 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -67.32 -30.41 70.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.792 0.437 . . . . 74.040000000000006 111.927 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -63.63 -43.67 96.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.992 0.517 . . . . 73.219999999999999 111.371 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.14 -37.75 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 119.044 -0.503 . . . . 74.329999999999998 110.292 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 45.3 mm -54.82 -49.6 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 122.628 0.371 . . . . 71.340000000000003 110.452 175.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 17.1 mm-40 -64.12 -43.52 95.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.901 0.881 . . . . 71.549999999999997 112.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.01 -40.7 90.19 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.695 0.798 . . . . 74.049999999999997 111.336 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.94 -33.66 70.72 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.659 1.184 . . . . 63.119999999999997 111.655 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 81.1 mtp180 -58.29 -48.0 81.86 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.487 0.715 . . . . 73.530000000000001 110.897 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HG2' HD21 ' A' ' 37' ' ' LEU . 21.3 tptm -74.7 -34.67 62.65 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.314 -0.857 . . . . 73.310000000000002 111.595 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.59 -40.25 88.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.476 0.71 . . . . 74.430000000000007 111.033 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.5 m -71.56 -26.03 62.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.279 0.632 . . . . 72.420000000000002 111.168 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -74.1 -41.0 62.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.74 . . . . 75.219999999999999 110.618 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -162.54 135.52 5.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.478 1.111 . . . . 70.310000000000002 109.787 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.51 -24.11 36.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 75.340000000000003 111.116 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -123.0 124.52 43.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.809 0.844 . . . . 74.510000000000005 110.58 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.98 154.64 18.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.683 0.793 . . . . 75.510000000000005 110.978 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -85.76 174.99 8.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.23 0.612 . . . . 75.310000000000002 109.495 166.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.46 98.62 Favored Pre-proline 0 CA--C 1.567 1.596 0 CA-C-O 118.754 -0.641 . . . . 74.439999999999998 112.378 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.61 -48.05 12.13 Favored 'Trans proline' 0 C--N 1.389 2.671 0 C-N-CA 121.658 1.572 . . . . 72.109999999999999 113.088 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -59.6 -39.7 85.07 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.984 0.914 . . . . 72.109999999999999 113.357 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -70.36 -39.74 74.44 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.608 0.763 . . . . 71.040000000000006 110.654 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -37.95 81.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.626 0.771 . . . . 73.219999999999999 111.592 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.47 -57.12 13.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.223 0.609 . . . . 73.140000000000001 109.763 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 22' ' ' LYS . 32.6 tp -62.36 -37.53 86.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.111 0.564 . . . . 75.120000000000005 111.711 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.35 -57.63 11.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.334 0.654 . . . . 71.030000000000001 111.322 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.65 -28.41 66.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.245 0.461 . . . . 74.439999999999998 112.245 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -38.57 88.83 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.579 0.752 . . . . 64.430000000000007 111.777 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -108.9 10.9 26.33 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.63 0.772 . . . . 74.409999999999997 112.649 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.12 28.93 13.72 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.586 1.154 . . . . 72.140000000000001 113.046 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.6 174.54 7.46 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.419 1.088 . . . . 71.120000000000005 110.297 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.0 p -103.7 154.23 19.77 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.796 -0.816 . . . . 65.430000000000007 108.796 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.19 -19.63 61.82 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.747 0.419 . . . . 74.239999999999995 111.973 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -70.74 -52.7 19.16 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.612 0.765 . . . . 75.140000000000001 110.753 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -62.61 -41.31 98.92 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.746 0.818 . . . . 73.0 112.398 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.37 -39.88 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.328 0.651 . . . . 75.140000000000001 111.007 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.71 -48.65 79.82 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.505 0.722 . . . . 73.209999999999994 111.902 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.39 -46.79 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.777 0.831 . . . . 73.299999999999997 110.524 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.484 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 79.8 t90 -54.91 -59.93 4.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.524 0.73 . . . . 74.219999999999999 109.866 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.3 m-85 -49.16 -44.42 42.77 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.964 0.906 . . . . 71.319999999999993 112.584 176.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -56.26 -55.33 34.55 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.362 0.665 . . . . 75.310000000000002 112.105 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -64.21 -38.57 91.51 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.842 0.457 . . . . 73.150000000000006 111.893 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 24.4 mmm180 -65.89 -32.39 73.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.709 0.633 . . . . 70.299999999999997 112.709 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 65.2 mtt180 . . . . . 0 N--CA 1.49 1.54 0 C-N-CA 122.766 0.426 . . . . 74.430000000000007 110.37 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 110.641 -0.133 . . . . 62.299999999999997 110.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.22 -50.92 69.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.296 0.638 . . . . 72.530000000000001 111.976 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.4 m -68.74 -32.65 72.57 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.139 0.576 . . . . 75.120000000000005 111.087 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -62.85 -43.07 99.79 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.598 0.759 . . . . 74.230000000000004 111.193 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HA ' HD11 ' A' ' 19' ' ' LEU . 47.5 t -62.8 -35.63 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.467 0.707 . . . . 72.319999999999993 111.229 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.25 -47.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 122.787 0.435 . . . . 74.329999999999998 110.504 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.44 -43.65 84.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.419 0.688 . . . . 73.349999999999994 111.231 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 16' ' ' VAL . 52.0 mt -59.36 -39.28 82.73 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 123.872 0.869 . . . . 65.540000000000006 111.053 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 44.9 mt-10 -70.28 -25.9 63.56 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.209 1.004 . . . . 74.219999999999999 112.726 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -62.51 -48.08 81.15 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 118.151 0.432 . . . . 73.430000000000007 110.993 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HG2' HD21 ' A' ' 37' ' ' LEU . 49.4 tptt -69.4 -37.12 77.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.181 0.592 . . . . 72.019999999999996 110.966 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -68.94 -32.57 72.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.579 1.152 . . . . 73.400000000000006 111.267 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -61.85 -39.68 92.71 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.847 0.859 . . . . 63.350000000000001 111.586 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -73.24 -44.69 59.03 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.384 0.673 . . . . 71.150000000000006 111.029 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.19 145.51 18.05 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.417 0.627 . . . . 71.129999999999995 112.029 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.8 -22.82 25.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.362 1.065 . . . . 73.239999999999995 112.191 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -125.74 109.68 12.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.878 0.871 . . . . 71.329999999999998 110.195 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.88 145.81 25.87 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.258 0.551 . . . . 74.510000000000005 112.053 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -86.46 171.68 10.93 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.816 -0.629 . . . . 60.039999999999999 109.438 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.82 92.81 Favored Pre-proline 0 CA--C 1.577 2.003 0 N-CA-C 114.29 1.218 . . . . 62.210000000000001 114.29 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.9 -56.19 0.84 Allowed 'Trans proline' 0 C--N 1.389 2.694 0 C-N-CA 121.82 1.68 . . . . 74.150000000000006 113.7 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.71 -37.86 88.95 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.827 0.851 . . . . 75.230000000000004 112.978 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.49 -38.86 92.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.291 0.636 . . . . 64.109999999999999 111.3 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.32 73.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.566 0.746 . . . . 63.109999999999999 112.203 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -63.52 -49.2 74.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.964 0.505 . . . . 73.310000000000002 110.783 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD21 ' HG2' ' A' ' 22' ' ' LYS . 52.6 tp -64.56 -38.84 92.39 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.199 0.6 . . . . 74.109999999999999 111.22 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.35 22.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.798 0.839 . . . . 51.130000000000003 112.279 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -63.86 -35.27 80.1 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 112.818 0.673 . . . . 75.430000000000007 112.818 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -64.47 -26.61 68.51 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 112.65 0.611 . . . . 72.530000000000001 112.65 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -111.71 15.15 21.11 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 113.339 0.866 . . . . 75.109999999999999 113.339 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 56.42 19.74 4.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.237 0.828 . . . . 74.400000000000006 113.237 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -92.09 178.35 5.89 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.054 0.942 . . . . 74.319999999999993 110.439 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -114.81 166.16 12.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.315 0.646 . . . . 75.25 109.567 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.18 -27.76 69.59 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.04 0.536 . . . . 73.420000000000002 110.903 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -63.54 -55.69 21.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.636 0.774 . . . . 71.420000000000002 110.447 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.45 -49.18 78.6 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.968 0.907 . . . . 73.430000000000007 112.087 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.36 -37.75 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.692 0.797 . . . . 74.010000000000005 111.468 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.601 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 6.9 ttpm? -68.05 -38.84 82.95 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.426 0.291 . . . . 75.340000000000003 111.326 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.69 -49.58 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.003 0.521 . . . . 74.219999999999999 110.354 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.23 -54.89 41.72 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-O 119.009 -0.52 . . . . 73.129999999999995 111.111 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -57.37 -38.37 74.11 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.949 0.722 . . . . 72.140000000000001 112.949 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.84 -54.03 41.33 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.622 0.769 . . . . 75.120000000000005 111.405 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -65.11 -43.38 92.21 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.306 1.043 . . . . 73.450000000000003 111.421 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -62.56 -45.66 91.9 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.407 1.083 . . . . 74.329999999999998 111.159 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? . . . . . 0 CA--C 1.547 0.828 0 C-N-CA 123.449 0.7 . . . . 74.510000000000005 109.799 177.45 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 118.683 -0.675 . . . . 73.140000000000001 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.73 -48.84 74.51 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.474 0.579 . . . . 74.400000000000006 112.522 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -63.69 -39.31 94.01 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.859 0.463 . . . . 61.030000000000001 110.823 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 41' ' ' LEU . 62.9 tt0 -63.02 -44.21 96.59 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.291 1.036 . . . . 71.129999999999995 112.11 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.84 -42.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.632 0.773 . . . . 73.519999999999996 110.215 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 85.7 mt -59.01 -40.31 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 123.703 0.801 . . . . 64.519999999999996 111.33 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.0 mm-40 -64.57 -44.81 89.51 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.21 0.604 . . . . 72.510000000000005 110.967 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.06 -36.61 77.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.097 0.959 . . . . 74.340000000000003 111.125 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.133 0.973 . . . . 73.150000000000006 112.313 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 44.2 mtm180 -68.34 -30.81 69.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 120.729 0.3 . . . . 73.140000000000001 111.032 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -77.14 -42.05 39.36 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.288 0.635 . . . . 71.099999999999994 110.138 172.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.77 -42.07 97.85 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.783 1.233 . . . . 74.319999999999993 112.568 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -66.77 -22.04 66.04 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.966 0.906 . . . . 73.219999999999999 112.961 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -93.89 -37.22 11.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.825 0.45 . . . . 75.120000000000005 111.023 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.13 128.56 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.813 0.816 . . . . 75.430000000000007 111.404 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -81.44 -24.49 36.81 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.417 -0.811 . . . . 74.420000000000002 111.418 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -117.9 136.98 53.12 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.373 1.069 . . . . 74.219999999999999 110.919 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.87 145.4 30.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.768 0.827 . . . . 72.299999999999997 111.125 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.6 m -83.32 169.6 15.49 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.68 -0.489 . . . . 73.049999999999997 109.68 168.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.53 99.26 Favored Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 113.71 1.004 . . . . 64.450000000000003 113.71 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.62 -49.13 12.61 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 121.837 1.691 . . . . 73.5 112.96 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.48 -43.64 98.5 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.949 0.899 . . . . 64.099999999999994 112.794 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.05 -37.6 75.59 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.479 -0.782 . . . . 71.540000000000006 111.603 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.03 90.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.461 0.704 . . . . 52.439999999999998 111.864 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -64.9 -46.59 81.08 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.98 0.512 . . . . 72.150000000000006 111.98 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.0 tp -63.33 -33.86 76.45 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.807 0.443 . . . . 73.030000000000001 111.188 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.81 -57.16 8.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.401 0.681 . . . . 74.450000000000003 112.149 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.8 -40.32 96.37 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.557 0.577 . . . . 75.030000000000001 112.557 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -66.5 -33.02 74.75 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.367 0.667 . . . . 65.340000000000003 112.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' HB3' HE21 ' A' ' 15' ' ' GLN . 90.3 mt -102.14 11.82 37.73 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.298 0.639 . . . . 73.349999999999994 111.917 175.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mptt 59.41 16.69 5.34 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.907 1.283 . . . . 73.030000000000001 113.889 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -86.89 -179.05 6.45 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.915 0.886 . . . . 73.140000000000001 110.329 173.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -110.0 160.0 16.8 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.027 -0.731 . . . . 73.409999999999997 109.027 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.35 -34.98 64.72 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.301 0.641 . . . . 72.040000000000006 111.428 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 85.1 m -62.26 -52.23 64.57 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.434 0.694 . . . . 74.019999999999996 111.06 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.63 -44.98 95.97 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.803 0.841 . . . . 74.299999999999997 112.305 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.73 -42.8 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.431 0.692 . . . . 72.329999999999998 111.248 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.84 -42.43 97.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.068 0.547 . . . . 73.25 111.488 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 99.5 mt -62.56 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.718 0.807 . . . . 72.430000000000007 110.533 178.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -57.85 -56.86 16.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.316 0.646 . . . . 73.140000000000001 110.481 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -56.39 -38.24 71.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.879 0.872 . . . . 72.230000000000004 112.715 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.4 -54.56 30.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.501 0.72 . . . . 54.450000000000003 111.302 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.37 -40.83 95.74 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.538 0.735 . . . . 75.340000000000003 112.036 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -60.23 -44.32 95.3 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.529 0.566 . . . . 74.140000000000001 112.529 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.023 0.44 . . . . 75.140000000000001 110.817 174.332 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 119.426 -0.321 . . . . 73.129999999999995 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 84.8 t60 -60.22 -46.24 90.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.137 0.575 . . . . 70.409999999999997 111.41 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.462 ' HA ' HD13 ' A' ' 17' ' ' ILE . 35.0 m -64.66 -34.75 79.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.473 0.709 . . . . 75.340000000000003 111.201 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.73 -41.51 83.37 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.644 0.778 . . . . 64.420000000000002 111.732 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 19' ' ' LEU . 92.5 t -64.57 -33.67 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 122.999 0.519 . . . . 75.099999999999994 110.999 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 14' ' ' THR . 79.3 mt -57.28 -47.16 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 122.99 0.516 . . . . 73.400000000000006 110.197 171.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.46 -41.28 98.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.749 0.82 . . . . 75.329999999999998 112.045 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 16' ' ' VAL . 60.6 mt -59.15 -40.85 86.8 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.76 0.824 . . . . 73.329999999999998 111.093 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.54 -26.66 60.11 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.923 0.889 . . . . 64.299999999999997 112.463 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.8 mtp180 -60.85 -36.34 78.9 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.005 0.522 . . . . 71.329999999999998 110.827 171.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -83.0 -37.87 23.41 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.588 -0.733 . . . . 70.519999999999996 110.709 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.33 -37.39 85.24 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.347 1.059 . . . . 75.219999999999999 112.556 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.1 p -64.79 -29.16 70.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.583 0.753 . . . . 61.310000000000002 112.578 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -85.26 -35.84 21.29 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.923 0.489 . . . . 75.209999999999994 110.914 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -154.91 131.86 10.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.268 0.627 . . . . 70.140000000000001 110.623 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -75.61 -18.71 59.62 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.763 0.825 . . . . 74.25 112.213 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -141.2 137.69 32.82 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.004 0.922 . . . . 74.329999999999998 110.554 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -95.5 166.17 11.99 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.968 0.907 . . . . 73.5 112.159 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -89.2 163.78 15.26 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.294 -1.002 . . . . 71.430000000000007 108.294 165.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.59 99.72 Favored Pre-proline 0 CA--C 1.569 1.676 0 N-CA-C 113.199 0.814 . . . . 73.349999999999994 113.199 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.57 -42.38 55.06 Favored 'Trans proline' 0 C--N 1.393 2.873 0 C-N-CA 122.041 1.827 . . . . 75.439999999999998 113.858 172.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.65 -34.55 74.16 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 123.683 0.793 . . . . 71.299999999999997 112.297 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -65.96 -43.61 87.41 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.438 1.095 . . . . 73.340000000000003 110.655 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.14 70.5 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.363 -0.835 . . . . 74.530000000000001 111.771 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.26 -39.86 94.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.26 1.024 . . . . 75.439999999999998 110.872 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 HD23 HD23 ' A' ' 19' ' ' LEU . 26.7 tp -80.22 -37.36 33.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.337 0.655 . . . . 73.129999999999995 111.116 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -50.4 72.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 73.219999999999999 112.213 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.49 -40.68 95.43 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.664 0.616 . . . . 62.32 112.664 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -58.66 -46.11 87.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.113 0.565 . . . . 72.319999999999993 111.534 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.7 mt -96.81 7.04 47.51 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.382 -0.826 . . . . 72.310000000000002 112.36 -174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 57.75 21.99 7.99 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.461 1.104 . . . . 73.030000000000001 112.804 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD23 ' NE2' ' A' ' 47' ' ' GLN . 92.3 mt -86.13 173.8 9.59 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.97 0.908 . . . . 73.140000000000001 110.371 176.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -98.94 158.45 15.63 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.551 -0.907 . . . . 62.140000000000001 108.551 171.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.29 -28.99 65.5 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.64 0.257 . . . . 72.019999999999996 111.633 172.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 50' ' ' ILE . 92.5 m -62.5 -53.4 55.31 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 123.647 0.779 . . . . 64.349999999999994 110.796 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.432 ' NE2' HD23 ' A' ' 43' ' ' LEU . 28.9 mt-30 -65.29 -38.98 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.69 0.796 . . . . 72.129999999999995 112.902 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.45 -44.82 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 122.75 0.42 . . . . 72.340000000000003 110.399 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.04 -42.55 90.51 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.437 0.695 . . . . 71.549999999999997 111.564 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 46' ' ' THR . 96.8 mt -63.83 -48.62 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.884 0.874 . . . . 74.010000000000005 111.219 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 89.2 t90 -60.34 -54.13 49.32 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.353 0.408 . . . . 74.099999999999994 110.766 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.9 m-85 -58.54 -36.59 74.11 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.57 0.544 . . . . 74.010000000000005 112.43 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.95 -51.88 54.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.747 0.819 . . . . 61.420000000000002 111.257 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.12 -42.53 85.98 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.826 0.851 . . . . 74.209999999999994 110.997 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 5.1 tpt180 -66.95 -35.99 81.23 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.259 1.024 . . . . 73.530000000000001 112.084 -174.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 52' ' ' PHE . 81.5 mtm-85 . . . . . 0 N--CA 1.481 1.087 0 C-N-CA 122.654 0.381 . . . . 71.319999999999993 110.692 173.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 119.406 -0.33 . . . . 72.030000000000001 110.641 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -57.33 -62.43 1.78 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.725 0.639 . . . . 73.420000000000002 112.725 -171.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -60.06 -33.29 71.85 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.765 0.826 . . . . 73.299999999999997 111.415 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.46 -44.51 86.97 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.677 1.191 . . . . 72.349999999999994 112.493 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.83 -43.84 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.319 0.648 . . . . 73.129999999999995 110.138 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 58.5 mt -60.35 -39.13 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 123.444 0.698 . . . . 74.439999999999998 110.872 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.09 -43.22 92.83 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.474 0.71 . . . . 73.319999999999993 112.212 175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.49 -40.64 92.06 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.709 0.804 . . . . 71.310000000000002 110.624 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.85 -36.42 82.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.556 1.142 . . . . 75.310000000000002 112.104 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 79.4 mtp180 -58.64 -38.59 78.44 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.382 0.673 . . . . 75.340000000000003 111.052 173.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HG3' HD23 ' A' ' 29' ' ' LEU . 50.3 tptt -80.8 -36.19 32.05 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 115.94 -0.573 . . . . 75.239999999999995 111.61 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -67.91 -37.34 81.57 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.066 0.946 . . . . 74.349999999999994 112.165 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -65.84 -28.51 69.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.851 0.86 . . . . 64.230000000000004 111.744 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -81.98 -42.27 19.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.931 0.492 . . . . 75.420000000000002 111.472 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -151.36 134.57 15.99 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 121.639 0.733 . . . . 63.32 111.672 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.671 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 40.7 mmtm -73.12 -24.59 60.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.314 1.046 . . . . 74.040000000000006 113.681 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.34 143.39 35.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.945 0.898 . . . . 70.019999999999996 110.251 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' HG3' ' A' ' 22' ' ' LYS . 57.8 mt -96.81 152.83 18.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.12 0.568 . . . . 73.310000000000002 111.269 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -83.94 168.67 15.8 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.766 -0.827 . . . . 65.409999999999997 108.766 166.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.15 98.56 Favored Pre-proline 0 CA--C 1.572 1.802 0 N-CA-C 113.906 1.076 . . . . 63.229999999999997 113.906 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -60.99 -50.96 5.24 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 121.822 1.681 . . . . 61.109999999999999 113.631 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.07 -38.04 84.82 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 123.537 0.735 . . . . 74.329999999999998 112.365 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -72.12 -41.63 66.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.412 0.685 . . . . 74.420000000000002 111.315 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.01 80.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.61 0.764 . . . . 62.32 112.042 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.89 -46.31 88.42 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.837 -0.62 . . . . 71.299999999999997 111.669 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 ' HG2' ' A' ' 22' ' ' LYS . 34.2 tp -65.06 -39.44 93.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.52 0.328 . . . . 73.049999999999997 111.131 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.49 57.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.613 0.765 . . . . 74.549999999999997 112.189 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.34 -30.32 70.1 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.634 0.605 . . . . 71.140000000000001 112.634 -177.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.5 -46.84 87.67 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.061 0.544 . . . . 74.239999999999995 111.001 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -92.81 1.6 57.2 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.049 0.94 . . . . 74.319999999999993 112.398 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 62.93 17.13 9.78 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.374 1.07 . . . . 71.519999999999996 112.9 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.34 177.16 8.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.34 1.056 . . . . 74.430000000000007 110.755 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -105.15 157.93 16.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.199 -0.667 . . . . 71.540000000000006 109.199 170.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.98 -29.12 64.98 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.867 0.467 . . . . 73.420000000000002 111.99 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -65.38 -53.41 43.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.264 0.625 . . . . 53.210000000000001 110.444 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -57.76 -48.86 78.43 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.888 0.875 . . . . 62.399999999999999 112.408 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.66 -46.23 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.745 . . . . 73.019999999999996 111.316 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HB3' ' HZ1' ' A' ' 49' ' ' LYS . 5.9 ttpm? -69.33 -34.87 75.29 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 122.728 0.411 . . . . 74.230000000000004 111.657 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.79 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.187 0.595 . . . . 72.209999999999994 110.189 173.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -57.78 -56.45 21.81 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.325 0.65 . . . . 71.450000000000003 110.619 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.22 -40.08 61.13 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.637 0.775 . . . . 74.209999999999994 111.955 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -50.61 71.06 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.01 0.924 . . . . 54.140000000000001 112.519 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -59.44 -50.01 75.58 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.575 0.75 . . . . 74.019999999999996 110.618 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -33.61 72.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.587 -1.188 . . . . 72.430000000000007 112.296 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.671 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mmm180 . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 123.432 0.693 . . . . 74.230000000000004 111.347 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 119.327 -0.368 . . . . 74.519999999999996 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -57.41 -58.04 10.02 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.16 0.8 . . . . 73.230000000000004 113.16 -171.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m -62.57 -28.04 69.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.241 0.616 . . . . 75.230000000000004 111.692 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.02 -38.61 66.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.847 0.859 . . . . 74.109999999999999 111.707 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.63 -33.1 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.631 0.773 . . . . 73.430000000000007 110.386 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 77.3 mt -56.56 -51.27 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.08 0.552 . . . . 74.239999999999995 110.608 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.11 -43.0 99.79 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.785 0.834 . . . . 75.129999999999995 111.957 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 37' ' ' LEU . 28.8 mt -60.49 -36.85 79.3 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.259 1.024 . . . . 71.150000000000006 111.423 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.44 -29.64 47.13 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.187 0.595 . . . . 73.310000000000002 112.598 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 85.0 mtp180 -60.58 -32.51 71.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.271 0.558 . . . . 65.420000000000002 110.188 171.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.25 -44.25 19.99 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.964 0.905 . . . . 73.400000000000006 111.432 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -67.33 -31.76 72.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.156 0.982 . . . . 75.319999999999993 112.628 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -69.8 -32.49 70.98 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.29 0.636 . . . . 54.200000000000003 112.173 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.28 -37.51 32.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.107 0.563 . . . . 75.120000000000005 111.386 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' NE2' HD23 ' A' ' 29' ' ' LEU . 20.6 pt20 -155.87 142.43 18.66 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.513 0.673 . . . . 75.230000000000004 111.867 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.85 -22.4 20.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.452 0.701 . . . . 75.420000000000002 111.85 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.62 114.74 21.02 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.416 0.687 . . . . 72.019999999999996 110.542 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD23 ' NE2' ' A' ' 26' ' ' GLN . 93.8 mt -92.17 146.7 23.51 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.581 0.752 . . . . 74.409999999999997 111.254 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -76.56 173.81 11.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.065 0.546 . . . . 72.439999999999998 109.999 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.25 94.99 Favored Pre-proline 0 CA--C 1.565 1.555 0 CA-C-O 118.499 -0.762 . . . . 74.219999999999999 112.58 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.49 -50.8 8.64 Favored 'Trans proline' 0 C--N 1.387 2.599 0 C-N-CA 121.667 1.578 . . . . 73.150000000000006 113.181 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB3' HD21 ' A' ' 29' ' ' LEU . 1.6 mp0 -64.78 -39.18 93.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -174.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.486 HH11 ' HB3' ' A' ' 45' ' ' GLU . 32.8 ttp85 -64.18 -39.83 94.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.187 0.595 . . . . 75.120000000000005 110.884 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.09 73.79 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.385 0.674 . . . . 71.310000000000002 112.341 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -66.79 -38.32 86.3 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.46 0.704 . . . . 74.510000000000005 110.427 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 HD21 ' A' ' 19' ' ' LEU . 21.3 tp -74.12 -38.46 63.79 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.589 -0.732 . . . . 64.140000000000001 110.646 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.59 -55.41 35.4 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.683 0.793 . . . . 70.420000000000002 112.29 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.03 0.752 . . . . 74.25 113.03 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.21 -38.76 92.43 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 75.430000000000007 112.198 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -96.72 8.17 44.88 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.393 0.677 . . . . 75.319999999999993 112.75 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 56.76 24.48 9.12 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.127 0.971 . . . . 72.420000000000002 113.426 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -88.04 179.48 6.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.062 0.945 . . . . 74.200000000000003 110.494 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.0 p -106.89 161.69 14.48 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.911 -0.774 . . . . 71.329999999999998 108.911 168.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' HB3' HH11 ' A' ' 34' ' ' ARG . 55.2 mt-10 -59.74 -34.41 72.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.773 0.429 . . . . 72.439999999999998 111.773 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 50' ' ' ILE . 87.2 m -63.62 -46.08 87.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.044 0.537 . . . . 74.140000000000001 110.802 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.86 -43.11 94.06 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.676 0.621 . . . . 75.329999999999998 112.676 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.18 -43.5 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.592 0.357 . . . . 72.140000000000001 110.065 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.511 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 4.5 ttpm? -61.32 -40.42 94.12 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 122.879 0.472 . . . . 73.239999999999995 111.979 175.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 46' ' ' THR . 97.5 mt -61.16 -59.68 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.461 0.704 . . . . 73.140000000000001 110.608 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -51.44 -58.77 5.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.104 0.878 . . . . 74.129999999999995 110.023 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -55.17 -38.57 68.48 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.137 0.792 . . . . 73.209999999999994 113.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.59 -52.08 62.52 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.896 0.478 . . . . 73.25 111.69 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.639 0.376 . . . . 65.109999999999999 111.359 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -63.16 -34.09 76.87 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.184 0.594 . . . . 74.340000000000003 111.914 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 . . . . . 0 N--CA 1.479 1.003 0 C-N-CA 122.804 0.442 . . . . 71.340000000000003 110.132 174.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 119.546 -0.264 . . . . 74.510000000000005 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.7 -56.74 17.66 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.609 0.764 . . . . 75.129999999999995 112.869 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -65.16 -32.61 74.38 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.639 0.376 . . . . 75.409999999999997 111.632 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.17 -46.82 88.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.18 0.592 . . . . 64.439999999999998 111.027 174.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.574 ' HA ' HD12 ' A' ' 19' ' ' LEU . 98.4 t -64.42 -30.41 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.161 0.584 . . . . 74.019999999999996 111.556 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.58 -48.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 CA-C-N 118.459 0.572 . . . . 74.409999999999997 110.454 173.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.75 0.82 . . . . 75.450000000000003 111.901 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.7 mt -62.74 -46.78 86.5 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.079 0.951 . . . . 65.25 111.142 171.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.86 -29.89 70.86 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.252 1.021 . . . . 72.340000000000003 112.172 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -59.38 -53.46 57.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.151 0.58 . . . . 73.140000000000001 110.673 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HG2' HD22 ' A' ' 37' ' ' LEU . 47.7 tptt -64.0 -37.06 86.03 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.625 -0.716 . . . . 73.530000000000001 111.543 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -66.01 -42.8 89.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.383 1.073 . . . . 74.150000000000006 111.217 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -61.85 -30.15 70.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.064 0.946 . . . . 75.129999999999995 112.628 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -79.46 -46.45 17.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.542 0.337 . . . . 73.019999999999996 111.644 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -154.86 143.0 20.26 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.331 0.653 . . . . 65.5 111.548 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 30.4 mmtp -89.85 -17.25 28.44 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.513 0.931 . . . . 75.099999999999994 113.513 -172.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.06 127.29 33.72 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.641 0.777 . . . . 74.030000000000001 110.567 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.2 mt -100.5 137.92 38.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.157 0.583 . . . . 75.319999999999993 111.109 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.5 m -77.77 174.16 11.29 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.687 -0.486 . . . . 73.510000000000005 109.687 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.85 79.44 Favored Pre-proline 0 CA--C 1.574 1.897 0 N-CA-C 114.208 1.188 . . . . 74.299999999999997 114.208 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.65 -49.68 6.74 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.825 1.683 . . . . 70.040000000000006 114.206 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.63 -33.28 68.8 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.438 0.695 . . . . 74.400000000000006 112.864 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.06 -44.15 73.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.53 0.732 . . . . 74.340000000000003 110.673 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.52 80.68 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.101 -0.954 . . . . 62.43 111.533 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.72 -49.35 66.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.721 0.808 . . . . 73.049999999999997 111.204 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.0 tp -64.8 -37.12 86.54 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.11 0.481 . . . . 73.549999999999997 110.656 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -51.3 64.99 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.424 -0.807 . . . . 73.019999999999996 112.953 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.77 -38.02 88.95 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 118.293 0.497 . . . . 74.519999999999996 112.062 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -56.13 -44.85 79.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.772 0.829 . . . . 74.010000000000005 111.713 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.0 10.21 36.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.435 0.694 . . . . 75.040000000000006 112.068 -175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 55.42 22.62 5.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.687 1.195 . . . . 75.140000000000001 113.456 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.94 178.27 7.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.079 0.952 . . . . 72.319999999999993 109.879 172.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -110.62 161.26 15.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.834 0.454 . . . . 75.549999999999997 110.027 172.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.22 -35.18 64.64 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 74.519999999999996 112.498 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -62.89 -50.03 72.49 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.192 0.597 . . . . 75.310000000000002 111.458 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.3 -48.48 81.57 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.654 0.781 . . . . 71.109999999999999 111.861 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.46 -49.9 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.179 0.992 . . . . 70.030000000000001 112.265 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.58 -47.81 82.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.695 0.798 . . . . 72.519999999999996 111.866 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.5 mt -61.54 -38.75 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.499 -0.773 . . . . 74.329999999999998 111.056 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 83.9 t90 -58.12 -56.38 22.73 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.663 0.385 . . . . 74.109999999999999 110.569 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -51.67 -39.79 58.88 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.685 0.794 . . . . 62.039999999999999 112.623 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -63.19 -49.43 74.29 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.201 0.6 . . . . 73.430000000000007 111.502 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -64.36 -41.58 96.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.208 0.603 . . . . 71.540000000000006 111.969 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 17.5 mmm180 -62.35 -40.61 96.95 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 119.456 -0.307 . . . . 75.0 111.588 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.502 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 69.8 mtp85 . . . . . 0 N--CA 1.483 1.224 0 O-C-N 123.484 0.49 . . . . 72.239999999999995 111.117 172.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 119.69 -0.195 . . . . 64.530000000000001 110.73 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -56.46 -43.73 79.83 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.513 0.725 . . . . 75.219999999999999 111.408 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -67.77 -35.65 79.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.648 0.779 . . . . 74.430000000000007 111.338 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.63 -43.03 95.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.42 1.088 . . . . 72.120000000000005 111.7 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' HA ' HD11 ' A' ' 19' ' ' LEU . 91.2 t -58.67 -38.64 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.005 0.922 . . . . 75.519999999999996 111.447 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 70.8 mt -55.19 -48.5 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.323 0.649 . . . . 73.530000000000001 111.324 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.384 0.674 . . . . 74.219999999999999 112.725 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD21 HD23 ' A' ' 37' ' ' LEU . 56.6 mt -57.11 -43.41 82.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.211 0.604 . . . . 73.310000000000002 110.969 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -67.92 -39.67 83.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.85 0.86 . . . . 74.400000000000006 112.245 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 43.1 mtp-105 -64.21 -37.67 88.29 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.828 0.451 . . . . 73.030000000000001 111.42 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.553 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.4 tptm -71.89 -44.1 64.3 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.059 -0.519 . . . . 71.140000000000001 110.36 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.62 -45.16 94.12 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.52 1.128 . . . . 73.430000000000007 112.7 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -66.65 -29.32 69.31 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.771 0.828 . . . . 74.129999999999995 112.054 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -88.81 -31.17 18.47 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.621 . . . . 74.230000000000004 111.602 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -148.32 122.61 9.62 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.055 0.931 . . . . 72.040000000000006 110.804 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.3 mmtp -82.72 -19.46 37.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.134 0.974 . . . . 74.439999999999998 112.807 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -118.07 132.58 56.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.994 0.918 . . . . 74.109999999999999 110.426 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 34' ' ' ARG . 96.1 mt -99.06 130.46 45.39 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.866 0.866 . . . . 74.530000000000001 110.139 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.7 m -77.52 167.35 21.79 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.047 -0.723 . . . . 71.230000000000004 109.047 168.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB1' ' HD3' ' A' ' 32' ' ' PRO . . . -53.0 -48.03 93.4 Favored Pre-proline 0 CA--C 1.57 1.749 0 N-CA-C 112.947 0.721 . . . . 75.340000000000003 112.947 -178.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD3' ' HB1' ' A' ' 31' ' ' ALA . 31.7 Cg_exo -63.23 -43.8 17.31 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 121.599 1.533 . . . . 75.319999999999993 113.72 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -60.27 -44.7 95.09 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.986 0.914 . . . . 73.420000000000002 113.145 -175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 56.8 ttp180 -68.11 -37.23 80.91 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.815 -1.084 . . . . 75.230000000000004 110.86 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.04 90.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.675 0.79 . . . . 55.219999999999999 111.567 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.23 -51.08 71.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.4 0.68 . . . . 73.519999999999996 110.918 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.553 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.0 tp -63.94 -41.42 97.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.513 0.325 . . . . 74.340000000000003 111.664 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.34 77.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.572 0.749 . . . . 75.310000000000002 112.087 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.25 -35.94 78.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.377 0.51 . . . . 74.519999999999996 112.377 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.21 -30.83 71.87 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.277 0.631 . . . . 73.340000000000003 112.085 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.77 5.34 28.55 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.405 0.682 . . . . 74.25 112.528 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 60.03 20.43 9.57 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.001 0.921 . . . . 74.430000000000007 113.16 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.7 177.53 6.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.64 1.176 . . . . 72.349999999999994 110.952 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -102.75 151.68 22.12 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.866 -0.79 . . . . 72.519999999999996 108.866 171.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 43.9 mt-10 -56.49 -27.26 56.7 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.088 0.555 . . . . 73.510000000000005 112.492 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.0 m -61.24 -59.17 5.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.466 0.706 . . . . 75.040000000000006 110.601 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.57 -46.64 77.17 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.988 0.915 . . . . 75.439999999999998 112.112 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.11 -45.84 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.826 0.85 . . . . 75.329999999999998 112.082 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 3.5 ttpm? -66.49 -40.79 89.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.448 0.299 . . . . 71.120000000000005 111.221 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.66 -41.31 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.45 0.7 . . . . 74.420000000000002 110.909 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -57.64 -57.32 13.21 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.355 0.662 . . . . 75.25 110.455 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.6 m-85 -52.61 -48.69 66.14 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.707 0.803 . . . . 74.420000000000002 111.828 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.93 -43.46 86.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.771 1.228 . . . . 73.340000000000003 112.384 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.55 -49.18 72.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.775 0.83 . . . . 75.109999999999999 111.644 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -35.43 75.65 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 112.639 0.607 . . . . 71.430000000000007 112.639 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 27' ' ' LYS . 36.2 mtp85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.015 0.436 . . . . 75.400000000000006 110.717 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 109.338 -0.616 . . . . 75.409999999999997 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' ILE . 67.2 t60 -58.51 -42.73 88.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.666 0.387 . . . . 74.430000000000007 111.897 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 69.0 m -61.67 -40.36 94.67 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.357 0.663 . . . . 74.129999999999995 111.112 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.6 tt0 -64.88 -42.2 95.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.184 0.994 . . . . 73.219999999999999 111.478 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 19' ' ' LEU . 58.2 t -62.09 -38.87 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.131 0.572 . . . . 72.540000000000006 110.69 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 76.6 mt -58.78 -46.93 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.899 0.48 . . . . 74.140000000000001 111.017 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' THR . 18.3 mm-40 -59.79 -43.37 94.46 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.588 0.755 . . . . 74.310000000000002 111.573 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD21 HD21 ' A' ' 37' ' ' LEU . 30.4 mt -61.33 -38.05 85.51 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.928 0.891 . . . . 71.109999999999999 111.369 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.65 -30.82 63.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.654 0.782 . . . . 62.409999999999997 112.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 90.4 mtt-85 -61.09 -42.07 97.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.117 0.567 . . . . 74.25 109.607 172.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HG2' HD23 ' A' ' 37' ' ' LEU . 10.7 tppt? -68.94 -42.68 76.4 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.283 -0.871 . . . . 71.239999999999995 111.411 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.91 -32.86 69.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.672 1.189 . . . . 75.120000000000005 111.144 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.3 m -63.02 -35.67 80.99 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.552 0.741 . . . . 72.150000000000006 112.382 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -78.31 -47.56 17.51 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 118.256 0.48 . . . . 73.209999999999994 111.195 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -156.66 146.13 20.63 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.649 0.738 . . . . 72.209999999999994 111.84 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 66.4 mmtt -83.18 -21.02 33.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.255 1.022 . . . . 71.219999999999999 113.468 -170.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -140.04 128.21 22.41 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.743 0.817 . . . . 72.450000000000003 109.336 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' HG2' ' A' ' 22' ' ' LYS . 95.6 mt -86.1 157.78 19.96 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.14 0.793 . . . . 74.409999999999997 113.14 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.0 m -79.26 161.17 26.5 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.961 -1.018 . . . . 74.450000000000003 109.844 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.91 -44.37 96.37 Favored Pre-proline 0 CA--C 1.573 1.834 0 N-CA-C 113.946 1.091 . . . . 72.049999999999997 113.946 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.5 -56.15 1.7 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 122.154 1.903 . . . . 74.310000000000002 114.19 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.45 -19.71 60.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.581 0.956 . . . . 72.329999999999998 113.581 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -74.58 -42.54 58.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.649 0.78 . . . . 74.129999999999995 109.735 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.56 74.73 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.354 1.062 . . . . 74.120000000000005 111.36 173.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -62.14 -49.17 76.95 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.914 1.285 . . . . 74.310000000000002 110.734 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' HG2' ' A' ' 22' ' ' LYS . 47.8 tp -71.39 -35.21 70.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.596 0.359 . . . . 75.409999999999997 110.994 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -54.42 46.57 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.699 0.799 . . . . 54.119999999999997 112.4 178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -61.67 -36.45 80.88 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.131 0.573 . . . . 72.140000000000001 112.469 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.99 -40.49 95.04 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.455 0.702 . . . . 43.32 111.739 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' HB3' HE21 ' A' ' 15' ' ' GLN . 94.0 mt -101.66 8.03 41.82 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.309 0.644 . . . . 74.430000000000007 111.907 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 23.27 9.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.681 1.192 . . . . 74.319999999999993 113.799 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.25 175.76 8.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.446 1.098 . . . . 75.430000000000007 110.768 172.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -110.06 166.8 10.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.565 0.746 . . . . 62.399999999999999 109.226 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.02 -19.34 64.27 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.006 0.372 . . . . 74.109999999999999 112.006 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.0 m -70.24 -54.28 13.43 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.447 0.699 . . . . 74.129999999999995 110.063 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.96 -47.13 87.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.976 0.91 . . . . 74.310000000000002 112.329 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.94 -50.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.176 0 C-N-CA 123.566 0.746 . . . . 75.409999999999997 110.966 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 6.7 ttpm? -58.64 -46.08 87.9 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.205 0.602 . . . . 75.310000000000002 112.517 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.37 -40.13 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.105 0.562 . . . . 74.209999999999994 110.836 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -59.95 -54.39 46.65 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.167 0.44 . . . . 75.510000000000005 110.946 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 46.7 m-85 -61.02 -32.83 72.42 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.909 0.707 . . . . 73.329999999999998 112.909 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.83 -58.39 4.66 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.22 1.008 . . . . 73.340000000000003 111.837 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.96 -41.52 99.55 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.295 1.038 . . . . 73.239999999999995 112.057 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -53.83 -44.24 70.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.99 0.916 . . . . 73.310000000000002 111.838 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 41.3 mtp180 . . . . . 0 CA--C 1.55 0.955 0 O-C-N 123.684 0.615 . . . . 73.010000000000005 111.449 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 119.073 -0.489 . . . . 62.229999999999997 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -48.33 -51.89 24.09 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.333 1.053 . . . . 73.450000000000003 113.569 -172.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.4 m -62.51 -41.25 98.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.685 0.794 . . . . 64.150000000000006 111.428 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.23 -40.6 90.39 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.14 0.976 . . . . 74.420000000000002 111.635 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.66 -37.75 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.982 0.913 . . . . 75.150000000000006 110.947 175.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.35 -40.83 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 122.642 0.377 . . . . 74.099999999999994 111.099 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.89 -40.72 91.8 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.857 0.463 . . . . 64.450000000000003 111.78 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.72 -44.66 96.34 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.847 0.859 . . . . 73.049999999999997 110.92 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -63.84 -37.2 86.51 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.105 0.962 . . . . 74.409999999999997 111.751 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.89 -50.58 73.23 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.527 0.731 . . . . 75.310000000000002 110.239 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG3' HD22 ' A' ' 29' ' ' LEU . 52.0 tptt -66.7 -37.14 84.11 Favored 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.377 0.671 . . . . 74.409999999999997 111.515 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.89 -40.96 87.91 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.768 1.227 . . . . 75.430000000000007 112.525 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -70.32 -25.04 63.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.518 0.727 . . . . 75.409999999999997 112.231 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -82.07 -50.65 8.84 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.93 0.395 . . . . 74.430000000000007 111.123 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -140.76 133.17 28.39 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.615 0.766 . . . . 63.140000000000001 110.769 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 45.3 mmtm -78.46 -19.04 53.96 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.113 0.965 . . . . 75.409999999999997 113.421 -173.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.45 123.6 20.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.875 0.87 . . . . 75.040000000000006 109.928 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 22' ' ' LYS . 21.6 mt -93.0 135.13 34.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.314 0.487 . . . . 74.150000000000006 112.314 -177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -75.03 166.67 23.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.403 -0.591 . . . . 75.219999999999999 109.403 167.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.68 -44.99 78.74 Favored Pre-proline 0 CA--C 1.573 1.844 0 N-CA-C 114.683 1.364 . . . . 63.140000000000001 114.683 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.64 -43.11 22.7 Favored 'Trans proline' 0 C--N 1.39 2.712 0 C-N-CA 121.885 1.724 . . . . 75.040000000000006 113.421 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.18 -38.07 78.5 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.613 0.765 . . . . 65.329999999999998 111.4 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -71.73 -43.38 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.048 1.339 . . . . 73.420000000000002 110.706 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.23 91.13 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.916 0.886 . . . . 52.130000000000003 111.811 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.7 -50.88 70.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.936 0.895 . . . . 73.400000000000006 111.051 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD22 ' HG2' ' A' ' 22' ' ' LYS . 26.3 tp -68.65 -35.23 76.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.451 0.301 . . . . 74.409999999999997 110.753 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 -59.3 5.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.498 0.719 . . . . 51.43 111.741 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -63.93 -37.37 87.16 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.858 0.688 . . . . 72.329999999999998 112.858 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.63 -32.28 73.76 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.455 0.702 . . . . 71.019999999999996 111.945 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.64 3.01 45.02 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.531 0.732 . . . . 74.319999999999993 111.851 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 57.99 20.43 6.78 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.348 1.059 . . . . 75.420000000000002 112.938 -177.427 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -88.06 179.97 6.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.976 1.31 . . . . 64.239999999999995 109.882 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 p -108.19 161.58 14.85 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.896 0.478 . . . . 74.319999999999993 110.285 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.9 -32.88 68.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.072 0.549 . . . . 74.400000000000006 112.12 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 m -70.53 -41.52 72.42 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.874 0.47 . . . . 74.239999999999995 110.961 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.08 -47.59 83.97 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.22 0.608 . . . . 73.230000000000004 112.005 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.11 -39.46 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 C-N-CA 123.776 0.83 . . . . 72.420000000000002 111.417 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -58.98 -51.54 69.63 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.207 0.603 . . . . 73.120000000000005 111.373 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.83 -37.27 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.025 0.93 . . . . 74.299999999999997 111.529 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.98 -55.87 27.83 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.732 0.413 . . . . 73.439999999999998 110.437 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 14.2 m-85 -55.39 -44.76 76.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.496 0.719 . . . . 75.400000000000006 111.991 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.82 -50.74 69.7 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.596 1.158 . . . . 74.239999999999995 112.033 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.59 -43.2 81.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.908 0.883 . . . . 75.310000000000002 111.856 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.88 71.12 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 122.809 0.444 . . . . 75.420000000000002 111.693 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 23.8 mmm180 . . . . . 0 N--CA 1.492 1.663 0 CA-C-N 118.595 0.634 . . . . 74.430000000000007 111.979 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 119.401 -0.333 . . . . 74.349999999999994 110.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -60.97 -43.06 99.35 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.223 0.609 . . . . 72.219999999999999 111.038 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -64.69 -37.47 87.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.583 0.753 . . . . 74.219999999999999 110.664 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.2 -38.05 84.68 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.306 1.042 . . . . 74.299999999999997 112.023 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 19' ' ' LEU . 96.1 t -66.35 -36.61 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.817 0.447 . . . . 70.219999999999999 110.599 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 89.9 mt -59.08 -45.0 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.824 0.45 . . . . 71.099999999999994 110.441 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.53 -48.68 80.06 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.123 0.969 . . . . 75.299999999999997 111.817 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 16' ' ' VAL . 37.6 mt -56.49 -40.69 75.36 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.907 0.883 . . . . 72.0 111.541 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 50.0 mt-10 -73.19 -27.81 61.85 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.032 0.933 . . . . 74.230000000000004 112.082 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 99.7 mtt180 -64.13 -33.89 76.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.132 0.573 . . . . 74.409999999999997 110.493 173.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.77 -38.62 32.75 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.536 0.734 . . . . 72.109999999999999 111.104 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 48.8 t80 -63.8 -32.72 74.32 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.87 1.268 . . . . 74.329999999999998 111.475 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -57.09 -36.17 70.29 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.5 1.12 . . . . 75.329999999999998 112.445 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -82.49 -45.14 15.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.906 0.482 . . . . 75.010000000000005 111.478 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.64 135.71 18.87 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.319 0.58 . . . . 75.030000000000001 111.487 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -74.08 -18.91 60.76 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.644 0.979 . . . . 74.519999999999996 113.644 -174.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -152.1 158.61 43.22 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.297 1.039 . . . . 65.409999999999997 109.563 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.77 156.69 20.71 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.384 0.512 . . . . 71.239999999999995 112.384 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.5 m -82.37 168.76 17.2 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.886 -0.783 . . . . 61.329999999999998 108.886 165.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.62 99.06 Favored Pre-proline 0 CA--C 1.573 1.83 0 N-CA-C 113.99 1.107 . . . . 62.119999999999997 113.99 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.02 -50.73 10.56 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 122.411 2.074 . . . . 74.439999999999998 113.748 171.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.05 -35.24 80.55 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.383 0.673 . . . . 65.129999999999995 111.915 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.45 -46.71 69.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.281 1.032 . . . . 75.140000000000001 111.044 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.46 89.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.893 0.877 . . . . 74.239999999999995 111.782 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -62.38 -44.75 95.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.048 0.939 . . . . 74.349999999999994 111.381 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 19' ' ' LEU . 32.5 tp -69.16 -42.17 76.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.82 0.448 . . . . 73.299999999999997 110.834 178.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.73 66.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.671 0.788 . . . . 60.509999999999998 112.449 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.64 -33.26 75.53 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.24 0.459 . . . . 74.310000000000002 112.24 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.58 -44.09 83.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.029 0.532 . . . . 75.040000000000006 111.725 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.4 mt -98.21 9.13 43.68 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.081 0.552 . . . . 74.129999999999995 112.209 -174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 60.45 24.75 14.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.112 0.965 . . . . 74.450000000000003 112.935 179.248 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.96 178.31 5.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.556 1.142 . . . . 73.120000000000005 110.773 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -107.58 166.15 10.89 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.07 -0.715 . . . . 74.519999999999996 109.07 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.61 -27.63 69.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.771 0.428 . . . . 62.030000000000001 111.691 175.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.8 m -63.84 -55.73 20.68 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.336 0.654 . . . . 72.310000000000002 110.08 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.52 -46.36 83.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.42 1.088 . . . . 74.319999999999993 113.179 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.29 -49.31 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.423 0.689 . . . . 74.200000000000003 111.37 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.69 -40.42 87.8 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.291 0.636 . . . . 74.099999999999994 111.66 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.02 -51.23 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.682 0.793 . . . . 74.340000000000003 111.13 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -60.82 -52.93 62.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.264 -0.398 . . . . 72.519999999999996 111.087 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -58.39 -33.54 69.74 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.801 0.667 . . . . 73.319999999999993 112.801 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.98 -60.13 2.58 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 122.485 0.314 . . . . 71.519999999999996 111.271 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -63.18 -33.02 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.159 0.8 . . . . 74.150000000000006 113.159 -177.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.36 -39.85 94.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.149 0.58 . . . . 75.140000000000001 112.406 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 73.329999999999998 111.205 172.624 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.714 -0.66 . . . . 74.319999999999993 109.762 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -48.78 -58.36 4.92 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.973 1.101 . . . . 75.340000000000003 113.973 -169.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 32.9 m -61.83 -41.37 97.71 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.879 0.471 . . . . 72.049999999999997 110.91 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.1 -45.07 94.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.412 1.085 . . . . 75.049999999999997 111.952 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.17 -41.19 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.034 0.934 . . . . 73.439999999999998 110.7 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.2 mt -62.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.193 0.597 . . . . 75.430000000000007 111.217 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.8 mm-40 -62.6 -41.91 99.26 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.449 0.642 . . . . 75.310000000000002 110.704 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.88 -36.26 83.8 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 114.778 -1.101 . . . . 61.299999999999997 110.983 173.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.99 -33.98 75.67 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.915 0.886 . . . . 64.519999999999996 112.886 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 66.8 mtt-85 -57.02 -52.77 63.93 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.558 0.694 . . . . 71.430000000000007 109.852 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HG2' HD22 ' A' ' 37' ' ' LEU . 53.3 tptt -64.14 -40.07 95.37 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.249 -1.342 . . . . 71.319999999999993 111.324 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.02 -39.36 90.16 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.467 1.107 . . . . 74.540000000000006 111.846 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -63.51 -32.66 74.17 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.196 0.999 . . . . 75.510000000000005 112.096 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -79.56 -47.26 15.82 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.177 0.513 . . . . 74.209999999999994 111.086 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -148.44 136.62 21.11 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.73 0.812 . . . . 73.510000000000005 111.482 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -79.9 -45.25 18.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.956 0.902 . . . . 74.439999999999998 110.728 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.87 132.18 37.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.183 0.993 . . . . 63.210000000000001 110.559 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.23 143.82 34.9 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.862 0.465 . . . . 73.219999999999999 111.49 175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -79.34 159.86 26.99 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.257 -0.646 . . . . 74.530000000000001 109.257 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.98 -46.63 99.74 Favored Pre-proline 0 CA--C 1.576 1.957 0 N-CA-C 113.62 0.97 . . . . 73.319999999999993 113.62 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.84 -46.76 12.62 Favored 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.012 1.808 . . . . 75.299999999999997 113.179 174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.68 -45.38 85.7 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.254 0.622 . . . . 74.109999999999999 112.124 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -68.3 -38.05 81.24 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.361 -0.836 . . . . 72.209999999999994 111.809 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.8 87.43 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.495 0.718 . . . . 72.420000000000002 111.657 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -64.86 -43.28 93.51 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.13 0.572 . . . . 71.129999999999995 111.466 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' A' ' 22' ' ' LYS . 37.3 tp -64.41 -36.7 85.0 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.256 0.622 . . . . 74.439999999999998 111.256 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.38 46.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.153 0.981 . . . . 74.239999999999995 111.514 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.96 -30.6 71.19 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.435 0.532 . . . . 74.140000000000001 112.435 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.01 -29.83 70.96 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 74.200000000000003 112.118 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.52 12.98 21.37 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.967 0.729 . . . . 75.510000000000005 112.967 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 59.44 14.43 3.81 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 113.338 0.866 . . . . 75.409999999999997 113.338 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.32 177.5 7.8 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.934 0.894 . . . . 63.240000000000002 111.068 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -107.14 162.33 13.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.139 0.576 . . . . 74.409999999999997 109.529 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.48 -26.67 65.45 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.156 0.583 . . . . 74.150000000000006 111.192 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -72.76 -47.36 47.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.108 0.563 . . . . 75.510000000000005 110.958 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.64 -44.54 93.47 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.228 0.611 . . . . 75.219999999999999 111.466 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.45 -41.89 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 123.206 0.603 . . . . 72.310000000000002 111.222 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -44.17 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.242 0.617 . . . . 73.209999999999994 111.198 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.99 -48.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.716 0.806 . . . . 74.450000000000003 110.612 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.06 -57.95 9.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.55 0.74 . . . . 75.319999999999993 110.044 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -59.0 -33.97 71.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.723 0.809 . . . . 74.409999999999997 112.895 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.16 -49.26 52.31 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.244 0.475 . . . . 72.530000000000001 111.949 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -60.52 -39.43 87.8 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.043 0.537 . . . . 74.120000000000005 111.869 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.1 79.69 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.095 0.558 . . . . 73.010000000000005 112.001 177.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.836 0.351 . . . . 74.400000000000006 110.334 174.562 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.2 t . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 119.311 -0.376 . . . . 73.319999999999993 110.352 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -52.84 -57.75 9.19 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 123.809 0.844 . . . . 71.219999999999999 112.524 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -63.4 -35.66 81.13 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.813 0.845 . . . . 72.040000000000006 111.552 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.29 -38.33 87.5 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.414 1.085 . . . . 75.120000000000005 111.81 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 12' ' ' SER . 91.5 t -62.89 -43.14 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.269 0.627 . . . . 72.430000000000007 110.571 171.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.46 -42.09 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 C-N-CA 123.448 0.699 . . . . 73.430000000000007 111.221 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -63.67 -43.43 96.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.668 0.787 . . . . 75.040000000000006 111.983 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 37' ' ' LEU . 47.8 mt -63.52 -35.15 79.51 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 123.347 0.659 . . . . 72.030000000000001 111.218 173.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.84 -37.65 76.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.929 0.891 . . . . 63.109999999999999 111.804 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -60.32 -42.43 95.6 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.543 0.737 . . . . 74.25 111.032 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.537 ' HG2' HD22 ' A' ' 37' ' ' LEU . 51.1 tptt -73.66 -41.35 62.83 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.612 -0.722 . . . . 73.109999999999999 111.181 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.91 -38.75 92.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.655 0.782 . . . . 73.420000000000002 111.852 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -60.21 -24.97 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.62 0.768 . . . . 72.25 112.167 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -91.1 -40.25 11.71 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.014 0.526 . . . . 74.099999999999994 111.431 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.24 135.84 19.45 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.993 0.738 . . . . 72.140000000000001 112.993 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.77 -41.15 62.83 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.249 1.02 . . . . 73.239999999999995 111.668 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -113.82 138.39 50.34 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.231 1.012 . . . . 71.219999999999999 109.56 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.14 146.31 26.27 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.986 0.514 . . . . 73.109999999999999 111.718 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -71.66 161.51 30.88 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.486 -0.561 . . . . 71.219999999999999 109.486 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -45.06 99.54 Favored Pre-proline 0 CA--C 1.565 1.54 0 CA-C-O 118.495 -0.764 . . . . 74.340000000000003 112.918 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.52 -50.69 6.36 Favored 'Trans proline' 0 C--N 1.391 2.802 0 C-N-CA 121.519 1.479 . . . . 73.299999999999997 113.016 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.16 -33.72 76.44 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.428 0.899 . . . . 73.319999999999993 113.428 -172.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -74.49 -42.11 59.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.904 0.482 . . . . 73.420000000000002 110.888 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.27 89.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.78 0.832 . . . . 71.439999999999998 111.816 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.88 -48.53 65.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.489 0.716 . . . . 74.140000000000001 110.808 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD22 ' HG2' ' A' ' 22' ' ' LYS . 54.6 tp -62.45 -36.16 81.55 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.071 0.548 . . . . 75.430000000000007 110.962 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.59 72.38 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.54 -0.754 . . . . 74.299999999999997 111.341 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.21 -27.2 61.48 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.806 0.669 . . . . 74.439999999999998 112.806 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.77 -35.01 78.45 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.369 0.668 . . . . 74.239999999999995 111.157 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.7 mt -110.52 5.89 21.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.822 0.849 . . . . 74.209999999999994 112.258 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 56.81 25.78 10.74 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.243 1.017 . . . . 74.319999999999993 112.857 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.59 176.5 6.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.952 1.301 . . . . 73.510000000000005 111.167 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -101.4 147.74 25.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.173 0.589 . . . . 71.140000000000001 109.509 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.94 -29.29 59.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.649 0.78 . . . . 73.109999999999999 112.347 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 -56.1 18.71 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.547 0.739 . . . . 74.319999999999993 110.788 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.83 -39.07 90.52 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.579 0.585 . . . . 74.109999999999999 112.579 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.13 -44.92 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.103 0.561 . . . . 72.219999999999999 110.783 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -62.43 -39.81 94.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.787 0.835 . . . . 75.010000000000005 111.923 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 85.8 mt -68.15 -42.01 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.854 0.862 . . . . 73.230000000000004 111.354 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -59.59 -54.65 44.01 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.461 -0.57 . . . . 75.120000000000005 109.461 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 12.7 m-85 -56.76 -32.15 65.31 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.786 0.835 . . . . 74.319999999999993 112.218 174.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 42.3 tt0 -60.25 -54.67 43.06 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.579 0.752 . . . . 72.049999999999997 111.752 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -62.45 -40.02 95.25 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.003 -0.544 . . . . 72.25 112.072 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -28.97 66.19 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 112.597 0.592 . . . . 73.099999999999994 112.597 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 46.1 mtm105 . . . . . 0 N--CA 1.491 1.586 0 CA-C-N 118.283 0.492 . . . . 71.400000000000006 110.308 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 111.373 0.138 . . . . 73.109999999999999 111.373 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.91 -155.23 26.49 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.474 -0.33 . . . . 73.430000000000007 113.334 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -84.66 109.1 17.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.607 0.763 . . . . 72.409999999999997 110.043 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -57.82 -33.94 69.13 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.626 0.77 . . . . 75.430000000000007 112.62 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -149.56 123.12 9.14 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.842 0.857 . . . . 73.530000000000001 110.363 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -149.18 125.62 10.92 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.776 0.43 . . . . 75.230000000000004 112.004 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -169.42 174.58 5.92 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.473 1.109 . . . . 72.109999999999999 109.853 171.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -72.11 104.1 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.21 -0.663 . . . . 75.409999999999997 109.21 171.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 123.65 19.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.166 0.586 . . . . 61.439999999999998 112.174 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -76.12 68.24 2.53 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.952 0.882 . . . . 74.519999999999996 109.842 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.1 mtm -67.95 158.06 33.62 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.863 -1.062 . . . . 72.040000000000006 112.059 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -78.63 149.9 32.81 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.002 -0.544 . . . . 64.109999999999999 109.988 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -57.96 -44.08 86.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.439 0.695 . . . . 74.129999999999995 111.789 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 m -68.28 -34.51 76.3 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.527 0.731 . . . . 74.420000000000002 111.622 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.66 -38.5 86.97 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.934 0.894 . . . . 65.450000000000003 111.35 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.575 ' HA ' HD12 ' A' ' 19' ' ' LEU . 93.6 t -66.66 -33.5 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.168 0.587 . . . . 74.040000000000006 110.971 175.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.27 -42.89 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 122.428 0.291 . . . . 72.030000000000001 110.73 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.53 -40.82 96.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.533 0.733 . . . . 72.420000000000002 112.073 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 16' ' ' VAL . 67.9 mt -59.04 -41.87 88.86 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.657 -0.701 . . . . 75.329999999999998 110.762 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.29 -28.26 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.984 0.914 . . . . 71.129999999999995 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.2 -38.37 81.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.238 0.615 . . . . 75.329999999999998 110.556 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' HG2' HD21 ' A' ' 37' ' ' LEU . 17.9 tptp -69.73 -42.28 74.18 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.794 -0.639 . . . . 75.109999999999999 110.27 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.6 -44.21 94.68 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.85 1.26 . . . . 75.420000000000002 111.761 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -56.03 -41.04 74.36 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.027 0.931 . . . . 73.200000000000003 112.195 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -79.76 -44.73 20.15 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.396 0.678 . . . . 75.140000000000001 111.599 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.419 HE22 ' HG2' ' A' ' 33' ' ' GLU . 20.9 pt20 -142.28 128.17 19.45 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.568 0.699 . . . . 75.319999999999993 110.409 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -79.85 -26.72 40.27 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.638 0.775 . . . . 74.230000000000004 112.387 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -116.7 127.0 53.99 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.676 0.79 . . . . 73.409999999999997 110.129 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.26 133.48 45.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.75 0.42 . . . . 75.109999999999999 110.189 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.3 m -84.43 176.85 8.4 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.674 -0.861 . . . . 71.040000000000006 108.674 165.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.11 82.57 Favored Pre-proline 0 CA--C 1.577 1.981 0 N-CA-C 114.274 1.213 . . . . 74.019999999999996 114.274 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.81 -52.72 4.74 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.18 1.92 . . . . 62.5 114.343 174.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' HG2' HE22 ' A' ' 26' ' ' GLN . 1.8 mp0 -65.1 -34.68 78.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.177 0.591 . . . . 72.340000000000003 111.784 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -72.2 -44.65 62.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.536 1.134 . . . . 74.310000000000002 111.375 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.68 -38.35 77.01 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.799 0.84 . . . . 75.049999999999997 111.748 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.547 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 81.1 t60 -62.63 -50.2 72.19 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.864 0.866 . . . . 74.299999999999997 111.386 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' A' ' 22' ' ' LYS . 53.8 tp -66.2 -35.94 81.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.776 0.431 . . . . 74.540000000000006 110.682 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.47 2.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.439 0.696 . . . . 60.009999999999998 111.434 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 64.5 pttt -62.95 -33.82 76.19 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.167 0.587 . . . . 73.319999999999993 112.575 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.5 -36.96 84.18 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.274 0.63 . . . . 75.430000000000007 112.098 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.48 5.11 41.79 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.113 0.565 . . . . 71.099999999999994 111.45 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 62.36 12.94 5.63 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 125.27 1.428 . . . . 74.040000000000006 113.632 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.13 177.53 7.76 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.397 1.079 . . . . 64.040000000000006 111.339 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.1 p -105.23 156.23 18.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.147 0.579 . . . . 70.019999999999996 109.707 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.14 -37.85 62.18 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.17 0.588 . . . . 74.109999999999999 111.575 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.2 m -57.34 -57.6 11.91 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.497 0.719 . . . . 72.310000000000002 111.686 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -56.43 -45.39 80.79 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.846 0.858 . . . . 64.439999999999998 112.483 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.17 -40.28 88.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-N 115.528 -0.76 . . . . 73.420000000000002 111.055 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -68.57 -37.74 80.15 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.579 0.752 . . . . 73.420000000000002 111.236 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 87.7 mt -62.83 -44.66 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.753 0.821 . . . . 75.430000000000007 109.79 174.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 77.6 t90 -61.31 -57.94 10.27 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.964 0.506 . . . . 74.349999999999994 110.948 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -58.63 -33.21 69.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.249 0.62 . . . . 65.340000000000003 112.534 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.08 -55.35 35.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.942 0.497 . . . . 72.239999999999995 110.662 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.09 -44.73 96.92 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.286 -0.87 . . . . 73.420000000000002 112.186 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 15.3 mmm-85 -65.13 -33.39 75.9 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.054 0.542 . . . . 74.319999999999993 112.408 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -79.13 -23.05 44.28 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 122.703 0.401 . . . . 73.519999999999996 110.812 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -83.38 -26.06 30.8 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.942 0.897 . . . . 75.340000000000003 111.26 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HA ' ' H ' ' A' ' 69' ' ' GLY . 99.4 mttt -90.75 -19.24 23.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.287 1.035 . . . . 70.109999999999999 112.845 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -83.95 150.13 25.86 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.486 0.184 . . . . 71.030000000000001 110.738 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HZ1' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -62.73 96.98 0.09 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.857 0.863 . . . . 74.299999999999997 110.324 -177.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -96.68 151.25 19.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.763 0.425 . . . . 75.549999999999997 111.428 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -79.88 96.7 6.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.3 0.64 . . . . 73.109999999999999 110.861 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -126.47 -155.18 0.67 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.107 0.963 . . . . 64.329999999999998 109.416 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -66.27 -29.57 69.83 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 122.891 0.476 . . . . 73.519999999999996 110.558 163.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -148.45 160.48 43.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.165 0.986 . . . . 74.219999999999999 110.535 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.449 ' OG ' ' HG2' ' A' ' 60' ' ' LYS . 34.8 t -66.02 111.96 3.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.453 0.701 . . . . 74.430000000000007 111.87 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.51 93.3 2.97 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.269 0.557 . . . . 72.219999999999999 111.197 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.96 90.98 3.47 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.339 0.656 . . . . 74.120000000000005 110.135 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.632 ' H ' ' HA ' ' A' ' 58' ' ' LYS . . . . . . . . 0 C--N 1.352 1.444 0 N-CA-C 114.56 0.584 . . . . 73.030000000000001 114.56 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.535 0.207 . . . . 71.530000000000001 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.65 72.66 1.49 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 111.552 -0.619 . . . . 54.140000000000001 111.552 168.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -92.62 139.82 30.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.705 0.802 . . . . 74.219999999999999 112.223 -171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -164.35 131.69 3.25 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.84 0.456 . . . . 72.099999999999994 109.868 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -77.77 117.54 19.26 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.729 0.812 . . . . 72.200000000000003 109.82 172.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.52 ' HB2' HD22 ' A' ' 54' ' ' ASN . 29.6 m80 -97.06 152.74 18.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.533 0.733 . . . . 74.510000000000005 110.959 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -84.19 157.88 21.49 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 114.987 -1.006 . . . . 71.409999999999997 111.086 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -163.54 168.23 20.34 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.009 0.924 . . . . 74.319999999999993 110.541 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 m -62.28 145.38 53.89 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.601 0.36 . . . . 70.510000000000005 111.278 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -68.48 98.49 0.86 Allowed 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.004 0.521 . . . . 74.200000000000003 111.12 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.79 150.8 47.95 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 112.34 0.496 . . . . 72.530000000000001 112.34 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 m -82.19 167.52 18.61 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.966 0.907 . . . . 72.120000000000005 111.0 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -54.85 -57.04 13.2 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.643 0.777 . . . . 73.329999999999998 111.44 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.474 ' HA ' HD13 ' A' ' 17' ' ' ILE . 22.3 m -64.09 -33.86 76.73 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.084 0.954 . . . . 64.219999999999999 111.865 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 41' ' ' LEU . 59.5 tt0 -65.31 -47.26 77.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.966 0.907 . . . . 70.340000000000003 111.969 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.09 -37.41 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.322 0.649 . . . . 71.510000000000005 111.192 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 14' ' ' THR . 84.8 mt -56.85 -50.55 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.448 0.699 . . . . 75.040000000000006 111.475 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 14' ' ' THR . 8.1 mm-40 -61.66 -41.48 97.58 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.58 0.752 . . . . 74.540000000000006 111.891 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD23 HD23 ' A' ' 37' ' ' LEU . 70.1 mt -62.1 -40.64 96.55 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 115.047 -0.978 . . . . 73.230000000000004 111.359 173.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.17 -29.23 61.68 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.577 0.751 . . . . 73.549999999999997 112.595 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 74.0 mtp180 -62.45 -48.03 81.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.506 0.723 . . . . 71.319999999999993 110.631 172.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.2 tptt -69.73 -37.51 76.52 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.803 -1.09 . . . . 73.219999999999999 111.154 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 70.4 t80 -70.82 -36.83 73.12 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.021 0.928 . . . . 72.340000000000003 112.483 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -63.44 -38.39 90.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.528 0.731 . . . . 51.340000000000003 111.21 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.51 -36.89 57.5 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.43 -0.805 . . . . 73.209999999999994 111.048 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.34 132.68 11.92 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-O 121.638 0.732 . . . . 64.140000000000001 111.726 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -75.97 -33.6 59.78 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.054 0.941 . . . . 75.310000000000002 111.286 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.46 124.42 52.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.314 1.046 . . . . 72.450000000000003 110.151 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.13 152.06 21.3 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.045 0.45 . . . . 73.430000000000007 111.299 172.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -88.8 162.19 16.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.209 -0.663 . . . . 73.329999999999998 109.209 164.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.81 95.79 Favored Pre-proline 0 CA--C 1.575 1.941 0 N-CA-C 113.887 1.069 . . . . 74.230000000000004 113.887 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.41 -40.23 59.63 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.083 1.856 . . . . 74.420000000000002 113.517 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.04 -37.58 75.62 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.52 0.728 . . . . 74.129999999999995 112.057 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 57.7 ttp180 -69.54 -39.54 77.42 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.751 0.82 . . . . 72.340000000000003 110.753 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.95 82.01 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.844 0.858 . . . . 75.530000000000001 111.978 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.57 -47.48 85.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.784 0.834 . . . . 52.539999999999999 111.635 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD22 ' HG2' ' A' ' 22' ' ' LYS . 46.5 tp -68.02 -40.24 82.98 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.545 0.738 . . . . 74.319999999999993 110.976 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.41 68.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.51 0.724 . . . . 74.450000000000003 112.641 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -64.47 -37.72 88.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.99 0.516 . . . . 75.209999999999994 112.3 -176.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.6 -36.17 79.95 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.297 0.639 . . . . 62.299999999999997 111.745 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' HB3' HE21 ' A' ' 15' ' ' GLN . 92.7 mt -103.57 6.88 37.56 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.832 0.853 . . . . 72.340000000000003 112.616 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 58.6 22.64 10.02 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.761 1.225 . . . . 74.010000000000005 113.243 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.58 177.84 6.95 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.133 0.973 . . . . 73.140000000000001 110.385 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.2 p -106.54 160.43 15.43 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.094 -0.706 . . . . 74.530000000000001 109.094 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.36 -23.68 62.75 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.99 0.516 . . . . 73.239999999999995 111.634 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.1 m -63.87 -60.58 3.1 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.548 0.739 . . . . 63.420000000000002 110.422 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.45 -39.99 92.87 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.109 0.964 . . . . 74.120000000000005 112.295 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.37 -47.14 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.461 0.704 . . . . 75.049999999999997 111.177 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 7.4 ttpm? -65.22 -35.2 80.31 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 111.798 0.295 . . . . 72.530000000000001 111.798 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.22 -51.97 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.436 0.694 . . . . 73.120000000000005 109.87 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -55.41 -53.96 49.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.873 0.869 . . . . 75.030000000000001 110.432 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.83 -40.53 84.47 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.991 0.916 . . . . 75.219999999999999 112.759 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.11 -46.72 85.98 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.437 0.695 . . . . 74.310000000000002 111.719 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 57' ' ' TYR . 47.1 m-80 -79.28 -22.82 44.13 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.508 0.558 . . . . 75.030000000000001 112.508 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.63 -33.29 73.77 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.272 0.229 . . . . 73.200000000000003 111.253 168.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -67.39 -41.59 84.71 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.307 0.575 . . . . 75.310000000000002 109.873 170.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -66.52 -18.68 65.5 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 124.489 1.115 . . . . 72.340000000000003 111.892 171.203 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -91.32 -30.71 16.42 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 114.173 1.175 . . . . 73.310000000000002 114.173 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 55' ' ' ARG . 16.8 p -64.86 149.05 50.2 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 114.525 1.306 . . . . 74.409999999999997 114.525 -170.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -63.68 -43.7 95.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.946 0.898 . . . . 71.109999999999999 111.41 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -74.56 110.69 9.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.285 -0.635 . . . . 72.540000000000006 109.285 171.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 27.2 ttmt -170.79 137.16 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 119.217 -0.421 . . . . 74.530000000000001 111.108 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' HG3' ' H ' ' A' ' 64' ' ' LEU . 24.4 pt20 39.39 -77.08 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 126.746 2.018 . . . . 75.310000000000002 115.927 173.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' H ' ' HG3' ' A' ' 63' ' ' GLN . 57.2 tp -160.19 -42.03 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.735 1.214 . . . . 74.540000000000006 108.764 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -161.8 153.97 19.53 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.044 0.938 . . . . 74.329999999999998 110.887 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.7 p -176.9 -56.33 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.182 0.993 . . . . 75.219999999999999 110.522 174.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -84.28 101.78 12.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.381 0.672 . . . . 74.530000000000001 110.191 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.64 119.54 19.82 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.592 0.757 . . . . 70.319999999999993 111.156 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.287 0 CA-C-O 121.372 0.429 . . . . 75.140000000000001 113.365 177.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.377 -0.231 . . . . 74.040000000000006 110.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.92 2.54 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 116.647 -0.251 . . . . 72.200000000000003 113.481 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -70.48 94.03 0.94 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.395 0.678 . . . . 71.409999999999997 111.202 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -84.96 115.1 22.61 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.381 -0.6 . . . . 74.439999999999998 109.381 174.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -85.56 170.35 12.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.664 0.786 . . . . 71.319999999999993 112.806 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -141.9 103.25 4.3 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.645 1.178 . . . . 75.019999999999996 108.464 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -58.66 120.16 8.41 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-O 121.491 0.662 . . . . 74.25 111.806 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -146.36 104.78 3.82 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.318 1.047 . . . . 72.400000000000006 108.806 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.7 p -71.8 124.99 26.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.642 0.377 . . . . 74.349999999999994 111.345 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -76.81 149.99 36.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.979 0.512 . . . . 72.230000000000004 110.622 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.433 ' HG2' HD11 ' A' ' 19' ' ' LEU . 2.0 mpt? -63.27 162.77 11.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.399 0.518 . . . . 75.219999999999999 112.399 176.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -72.34 166.26 22.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.813 0.845 . . . . 74.409999999999997 110.232 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.61 -61.33 2.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.414 0.686 . . . . 73.510000000000005 112.438 -173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.429 ' HA ' HD11 ' A' ' 17' ' ' ILE . 87.7 m -66.36 -30.58 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.384 0.674 . . . . 74.209999999999994 111.861 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' HG3' HD22 ' A' ' 41' ' ' LEU . 62.7 tt0 -62.03 -43.33 99.08 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.298 0.639 . . . . 65.230000000000004 111.481 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.441 ' HA ' HD13 ' A' ' 19' ' ' LEU . 79.3 t -64.85 -38.89 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.617 0.767 . . . . 71.200000000000003 111.192 173.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.429 HD11 ' HA ' ' A' ' 14' ' ' THR . 79.4 mt -55.69 -45.74 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 122.745 0.418 . . . . 73.430000000000007 110.593 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.39 -44.82 95.55 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.711 0.804 . . . . 71.530000000000001 111.762 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 37' ' ' LEU . 48.9 mt -58.22 -40.3 81.27 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.561 0.744 . . . . 71.010000000000005 111.436 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.03 -35.22 76.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.099 0.96 . . . . 74.219999999999999 111.569 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 56.8 mtp180 -63.83 -34.04 77.02 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.26 0.624 . . . . 74.109999999999999 111.38 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.583 ' HG2' HD21 ' A' ' 37' ' ' LEU . 52.5 tptt -80.82 -41.96 22.44 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.764 0.426 . . . . 72.030000000000001 110.82 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -64.01 -41.17 97.56 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.215 1.006 . . . . 74.420000000000002 112.049 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.7 p -63.67 -30.88 71.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.553 0.741 . . . . 73.510000000000005 112.356 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.26 -38.3 22.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.734 0.414 . . . . 72.530000000000001 111.262 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -150.72 132.18 14.71 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.256 0.622 . . . . 74.310000000000002 111.312 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -83.06 -25.3 32.22 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.374 0.67 . . . . 72.439999999999998 111.21 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -118.55 121.64 40.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.353 1.061 . . . . 74.219999999999999 109.948 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 34' ' ' ARG . 97.1 mt -96.49 141.25 30.0 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.241 0.616 . . . . 64.329999999999998 111.202 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -87.41 174.74 8.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.323 0.649 . . . . 74.519999999999996 109.697 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.99 98.37 Favored Pre-proline 0 CA--C 1.574 1.867 0 N-CA-C 114.317 1.228 . . . . 73.319999999999993 114.317 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.75 -46.47 13.76 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.902 1.735 . . . . 74.540000000000006 113.637 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.23 -40.72 86.38 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.897 0.879 . . . . 75.230000000000004 112.414 -173.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 48.5 ttp180 -69.18 -41.57 77.0 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.886 0.874 . . . . 75.109999999999999 111.447 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.17 74.73 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.419 0.687 . . . . 72.430000000000007 111.85 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -61.29 -44.62 96.92 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.74 0.816 . . . . 75.329999999999998 110.438 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD21 ' HG2' ' A' ' 22' ' ' LYS . 29.2 tp -71.62 -36.02 70.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.156 0.582 . . . . 71.310000000000002 111.188 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -51.47 69.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.465 0.706 . . . . 60.119999999999997 112.013 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -69.57 -34.91 74.83 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.44 0.533 . . . . 74.349999999999994 112.44 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.05 -37.07 85.75 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.203 0.601 . . . . 73.319999999999993 111.631 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 15' ' ' GLN . 95.6 mt -104.57 2.62 30.96 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.185 0.809 . . . . 75.109999999999999 113.185 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt 61.69 17.83 9.04 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.904 0.882 . . . . 74.129999999999995 113.082 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.88 179.93 7.63 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.252 1.021 . . . . 74.219999999999999 110.476 173.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -102.96 158.33 16.36 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.129 -0.693 . . . . 73.319999999999993 109.129 168.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.32 -33.6 63.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.16 0.584 . . . . 72.420000000000002 112.033 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -60.8 -50.99 71.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.764 0.825 . . . . 74.430000000000007 111.652 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -59.9 -48.52 81.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.478 0.711 . . . . 72.329999999999998 112.016 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.6 -46.52 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 C-N-CA 123.741 0.816 . . . . 75.25 111.785 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 86.3 tttt -58.49 -50.59 73.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.92 0.888 . . . . 74.230000000000004 112.36 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.92 -35.53 75.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.101 0.96 . . . . 75.230000000000004 111.475 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -60.25 -53.66 54.99 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.637 0.375 . . . . 75.319999999999993 110.329 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.75 -42.25 78.99 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.769 0.828 . . . . 75.209999999999994 112.335 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.35 -44.79 90.36 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.77 0.828 . . . . 75.319999999999993 111.863 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.71 -33.64 68.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.467 0.707 . . . . 73.510000000000005 111.567 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -38.07 89.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.693 0.397 . . . . 64.510000000000005 111.153 172.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -62.19 -37.86 86.92 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.038 0.535 . . . . 73.230000000000004 110.601 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -68.31 -30.33 69.29 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.898 0.879 . . . . 72.340000000000003 111.94 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -85.22 -27.75 25.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.152 0.581 . . . . 71.140000000000001 112.398 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -76.79 95.84 4.13 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.251 0.548 . . . . 72.120000000000005 110.881 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -77.08 96.58 4.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.204 -0.907 . . . . 75.310000000000002 109.322 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -67.61 107.21 2.44 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 122.989 0.515 . . . . 74.430000000000007 111.354 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.607 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 59.3 tttm -74.15 133.87 42.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.828 0.851 . . . . 73.400000000000006 109.131 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.23 -28.13 7.11 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.291 1.589 . . . . 74.219999999999999 115.291 -166.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.83 76.97 1.56 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.083 -1.08 . . . . 74.540000000000006 108.083 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.607 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 33.2 t -160.77 172.47 16.99 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.562 0.745 . . . . 70.340000000000003 110.229 177.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 t -57.15 145.33 31.6 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.976 0.911 . . . . 75.109999999999999 113.151 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 70.34 16.67 7.16 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 125.087 1.355 . . . . 74.150000000000006 112.887 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.91 -45.99 69.47 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 73.409999999999997 109.917 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.893 0 CA-C-O 121.191 0.328 . . . . 73.430000000000007 112.586 177.159 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.621 0.248 . . . . 64.530000000000001 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.12 112.7 2.15 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 114.022 0.369 . . . . 73.510000000000005 114.022 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -101.55 164.47 11.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.692 0.797 . . . . 74.450000000000003 110.696 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -74.41 127.55 33.31 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.337 0.655 . . . . 51.039999999999999 110.191 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -73.09 108.48 6.0 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.146 0.578 . . . . 53.399999999999999 111.311 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -82.44 161.77 22.33 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.613 0.765 . . . . 74.310000000000002 111.571 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -69.54 79.47 0.41 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.706 0.802 . . . . 72.109999999999999 112.365 -174.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -152.96 137.81 17.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.071 1.348 . . . . 72.049999999999997 109.753 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 p -83.55 85.22 7.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.13 0.572 . . . . 62.0 110.133 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -124.86 150.12 46.79 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.143 0.577 . . . . 73.120000000000005 111.136 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HG2' HD13 ' A' ' 19' ' ' LEU . 1.8 mpt? -68.34 165.41 18.72 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 122.966 0.506 . . . . 63.119999999999997 111.564 170.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -76.48 160.34 29.59 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 118.746 -0.645 . . . . 74.219999999999999 109.336 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -50.97 -58.47 5.95 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.059 0.763 . . . . 72.430000000000007 113.059 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 96.4 m -63.39 -33.71 76.15 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.113 0.565 . . . . 73.430000000000007 111.485 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.489 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.5 tt0 -67.53 -41.25 84.68 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.321 1.048 . . . . 71.219999999999999 112.037 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.29 -44.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.299 0.64 . . . . 71.540000000000006 109.814 172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.5 mt -59.89 -39.31 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.596 0.758 . . . . 73.420000000000002 111.342 176.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 14' ' ' THR . 22.9 mm-40 -62.63 -45.57 92.23 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.456 0.702 . . . . 74.109999999999999 111.228 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 11' ' ' MET . 64.5 mt -59.18 -38.19 79.22 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.619 0.768 . . . . 74.299999999999997 111.168 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.78 -30.36 67.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.907 0.883 . . . . 74.549999999999997 111.778 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.4 mtp180 -67.26 -34.74 78.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.002 0.521 . . . . 74.140000000000001 111.046 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HG2' HD21 ' A' ' 37' ' ' LEU . 54.4 tptt -75.89 -42.59 48.67 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.18 0.514 . . . . 74.129999999999995 110.66 173.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 87.6 t80 -61.42 -37.2 82.63 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.99 1.316 . . . . 72.230000000000004 111.922 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' HA ' ' OG ' ' A' ' 66' ' ' SER . 89.2 p -63.9 -44.11 93.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.586 0.755 . . . . 62.409999999999997 112.508 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 111.576 0.213 . . . . 75.099999999999994 111.576 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -149.9 133.0 16.27 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.438 0.637 . . . . 70.319999999999993 111.154 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -79.58 -37.11 37.07 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.739 0.816 . . . . 75.420000000000002 111.385 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.87 123.73 49.52 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.263 1.025 . . . . 73.430000000000007 109.293 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.87 148.31 22.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 75.340000000000003 111.025 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -89.5 174.73 7.62 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.602 -0.888 . . . . 73.319999999999993 108.602 164.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.76 -48.17 94.33 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 113.199 0.815 . . . . 72.239999999999995 113.199 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.91 -44.46 24.99 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.493 1.462 . . . . 74.219999999999999 113.991 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 118.895 0.771 . . . . 72.299999999999997 112.311 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -67.26 -42.12 84.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.315 0.646 . . . . 71.239999999999995 111.774 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.72 77.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.343 0.657 . . . . 73.540000000000006 112.17 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -57.97 -50.56 72.95 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.86 0.464 . . . . 75.040000000000006 111.331 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' ' 22' ' ' LYS . 56.1 tp -59.38 -40.91 88.06 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.804 0.842 . . . . 74.109999999999999 111.722 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.47 12.73 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.602 0.761 . . . . 74.219999999999999 111.859 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.18 -31.49 71.07 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 113.268 0.84 . . . . 75.019999999999996 113.268 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.17 -34.06 75.71 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.074 0.549 . . . . 73.450000000000003 111.934 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' HB3' HE21 ' A' ' 15' ' ' GLN . 86.4 mt -107.62 3.8 25.21 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.597 0.759 . . . . 70.010000000000005 112.618 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 59.22 26.73 15.58 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 124.733 1.213 . . . . 73.450000000000003 113.585 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -87.61 178.59 6.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.526 1.13 . . . . 65.299999999999997 110.688 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -107.2 155.65 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.092 -0.706 . . . . 72.400000000000006 109.092 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.76 -26.4 65.66 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.558 0.577 . . . . 74.519999999999996 112.558 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -66.35 -49.43 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.944 0.498 . . . . 72.329999999999998 110.587 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.61 -43.2 99.39 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.461 0.704 . . . . 73.209999999999994 111.606 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.71 -37.29 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.439 0.696 . . . . 73.400000000000006 111.496 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.5 -50.0 69.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.399 0.68 . . . . 74.540000000000006 111.37 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.15 -38.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.869 0.867 . . . . 74.129999999999995 111.066 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 62.7 t90 -60.63 -58.84 6.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.289 0.636 . . . . 64.519999999999996 110.225 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.8 -32.62 65.88 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.105 0.78 . . . . 74.430000000000007 113.105 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.58 -51.77 57.2 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 122.838 0.455 . . . . 71.439999999999998 111.153 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.74 -43.38 94.27 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.634 0.774 . . . . 71.519999999999996 111.442 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -58.52 -50.08 75.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.831 0.853 . . . . 74.319999999999993 112.614 179.105 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -67.3 -28.55 68.1 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.817 0.341 . . . . 74.439999999999998 111.693 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.77 -34.53 75.72 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.051 0.94 . . . . 72.519999999999996 111.048 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -90.45 -16.32 29.21 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.774 0.83 . . . . 72.049999999999997 112.586 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.6 p -90.38 90.73 8.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.455 0.645 . . . . 64.150000000000006 110.769 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 148.97 23.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.329 -0.851 . . . . 74.420000000000002 108.945 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -64.73 160.28 20.38 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.756 1.021 . . . . 73.219999999999999 113.756 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 63.98 29.81 14.28 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.857 1.263 . . . . 75.319999999999993 112.42 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -116.16 175.09 5.7 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.835 0.854 . . . . 74.010000000000005 111.144 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.93 19.98 1.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.629 0.771 . . . . 74.510000000000005 113.0 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -89.21 170.58 10.47 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.016 0.526 . . . . 75.140000000000001 110.584 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 24' ' ' SER . 83.2 p -84.28 41.82 0.85 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.472 1.109 . . . . 74.140000000000001 112.784 -173.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.78 166.59 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.127 0.971 . . . . 74.420000000000002 113.06 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.69 -52.98 0.35 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.788 0.435 . . . . 74.340000000000003 110.17 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 CA-C-O 121.597 0.554 . . . . 70.120000000000005 113.152 178.433 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 110.396 -0.224 . . . . 71.310000000000002 110.396 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.88 93.01 0.73 Allowed Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.473 -0.33 . . . . 64.349999999999994 113.376 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -110.08 20.43 17.92 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.446 0.698 . . . . 74.120000000000005 112.024 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -68.28 130.47 42.99 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.564 0.345 . . . . 75.230000000000004 111.536 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -149.31 115.68 5.82 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.653 0.781 . . . . 75.430000000000007 110.832 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -81.88 131.62 35.26 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.413 0.685 . . . . 71.549999999999997 110.679 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -65.65 119.77 11.75 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.121 0.568 . . . . 61.219999999999999 111.581 -173.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -83.2 121.52 27.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 74.310000000000002 109.386 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -147.05 143.04 28.07 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.9 0.381 . . . . 74.219999999999999 111.866 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -122.54 97.91 5.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.773 0.829 . . . . 75.439999999999998 109.661 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.1 mpt? -59.57 143.38 50.45 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.375 1.07 . . . . 64.510000000000005 112.962 -174.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t -76.74 159.21 30.35 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.8 0.84 . . . . 74.209999999999994 111.065 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.42 -57.08 13.37 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.992 0.917 . . . . 74.409999999999997 112.524 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -63.72 -34.52 78.05 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.738 0.815 . . . . 64.310000000000002 111.815 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.44 -43.48 90.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.137 0.975 . . . . 65.549999999999997 111.83 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.57 -37.17 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.649 0.78 . . . . 62.229999999999997 110.593 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.6 mt -54.74 -46.92 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 122.979 0.511 . . . . 74.400000000000006 111.137 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -64.98 -42.68 94.33 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.397 0.679 . . . . 64.530000000000001 112.342 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.24 -36.93 85.3 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.817 0.847 . . . . 74.340000000000003 111.221 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.48 -41.9 88.28 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.66 1.184 . . . . 72.420000000000002 111.406 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 82.5 mtp180 -56.53 -47.26 79.75 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.66 0.784 . . . . 71.239999999999995 111.017 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' HG2' HD21 ' A' ' 37' ' ' LEU . 57.6 tptt -66.58 -41.82 87.95 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.455 -0.793 . . . . 75.5 111.362 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.88 -36.77 84.34 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.758 0.823 . . . . 74.530000000000001 111.93 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -65.86 -34.06 77.27 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.745 0.818 . . . . 74.450000000000003 112.837 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -82.92 -32.75 27.07 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.003 0.365 . . . . 75.120000000000005 111.423 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -157.63 134.21 9.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.099 0.559 . . . . 73.540000000000006 111.306 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -77.25 -47.26 20.6 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.959 0.504 . . . . 73.140000000000001 110.961 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -97.96 135.81 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.033 0.933 . . . . 73.439999999999998 110.529 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.34 154.87 17.85 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.168 0.509 . . . . 71.239999999999995 111.609 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.9 m -89.34 164.9 14.7 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.846 -0.798 . . . . 73.040000000000006 108.846 165.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.63 98.32 Favored Pre-proline 0 CA--C 1.572 1.817 0 N-CA-C 113.026 0.75 . . . . 73.140000000000001 113.026 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.83 -41.79 43.09 Favored 'Trans proline' 0 C--N 1.391 2.809 0 C-N-CA 122.032 1.822 . . . . 73.420000000000002 113.409 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.09 -42.11 97.04 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.357 0.663 . . . . 70.120000000000005 112.087 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -67.98 -40.94 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.384 0.674 . . . . 73.510000000000005 111.79 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.93 97.41 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.249 0.619 . . . . 64.340000000000003 111.73 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.75 -47.72 79.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.711 0.804 . . . . 70.239999999999995 111.517 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD21 ' HG2' ' A' ' 22' ' ' LYS . 41.9 tp -64.61 -37.94 89.3 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.641 0.776 . . . . 64.340000000000003 110.874 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.75 -55.62 28.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.973 0.909 . . . . 71.010000000000005 112.029 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -63.26 -39.49 94.74 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.631 0.604 . . . . 75.420000000000002 112.631 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.36 -38.29 90.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.383 0.673 . . . . 74.099999999999994 112.058 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.99 1.45 56.26 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.342 0.657 . . . . 75.530000000000001 111.922 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 62.79 17.7 10.1 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.751 1.22 . . . . 71.140000000000001 113.603 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.0 mt -82.89 -179.12 7.35 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.064 0.945 . . . . 71.5 110.45 171.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -113.25 167.44 10.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.407 0.683 . . . . 74.200000000000003 110.006 170.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.14 -24.32 66.19 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.753 0.421 . . . . 73.340000000000003 111.932 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.5 m -67.17 -55.26 14.89 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.107 0.563 . . . . 71.310000000000002 110.069 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' HB3' ' HE3' ' A' ' 11' ' ' MET . 50.7 mt-30 -57.64 -53.85 53.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.188 0.995 . . . . 73.340000000000003 112.45 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -40.05 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 C-N-CA 123.271 0.628 . . . . 74.120000000000005 112.053 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -60.21 -50.45 73.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.661 0.384 . . . . 73.510000000000005 110.955 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.82 -40.13 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.541 0.736 . . . . 75.340000000000003 111.375 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' HB2' ' HE1' ' A' ' 11' ' ' MET . 64.9 t90 -60.42 -59.77 4.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.096 0.558 . . . . 74.420000000000002 111.386 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.88 -34.55 71.77 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.278 0.631 . . . . 74.230000000000004 112.648 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.45 -48.56 79.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.92 0.888 . . . . 74.430000000000007 110.806 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.38 -45.35 93.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.894 0.878 . . . . 63.039999999999999 111.395 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -35.71 72.6 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.966 0.728 . . . . 74.120000000000005 112.966 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 -78.25 -36.75 46.5 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.897 0.38 . . . . 75.109999999999999 111.315 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -68.38 -34.44 76.06 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.062 0.945 . . . . 75.349999999999994 111.456 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 10.2 mmpt? -88.07 -7.49 56.92 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.442 1.097 . . . . 75.099999999999994 112.002 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -109.4 -0.56 18.92 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.527 0.731 . . . . 75.129999999999995 110.628 171.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -65.09 -24.86 67.56 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.97 0.908 . . . . 74.209999999999994 111.051 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.5 ptt85 -66.37 -160.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.275 1.03 . . . . 74.420000000000002 111.716 168.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -59.48 161.72 5.56 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.308 0.643 . . . . 65.150000000000006 111.332 168.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.53 178.74 0.28 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.477 1.288 . . . . 72.540000000000006 114.477 -168.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -51.95 -46.0 64.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.881 1.272 . . . . 75.299999999999997 113.137 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -80.3 81.5 6.55 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.201 0.601 . . . . 73.109999999999999 110.523 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -90.22 -168.01 2.0 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.09 0.956 . . . . 64.129999999999995 111.014 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -85.3 -0.33 54.41 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.713 0.805 . . . . 74.540000000000006 112.417 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.4 mt -69.81 132.8 46.61 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.409 0.684 . . . . 73.310000000000002 111.548 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.328 0 CA-C-O 121.387 0.437 . . . . 74.140000000000001 113.273 -177.616 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 120.44 0.162 . . . . 75.209999999999994 111.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.43 -60.19 4.02 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 113.721 0.248 . . . . 64.010000000000005 113.721 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -140.9 103.92 4.58 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.853 0.861 . . . . 73.340000000000003 109.848 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -77.01 83.16 3.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.593 0.711 . . . . 73.5 111.126 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -68.15 108.6 3.2 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.095 0.474 . . . . 74.540000000000006 110.637 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -56.64 121.98 11.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.87 0.868 . . . . 74.0 112.167 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -70.41 104.03 2.6 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 122.586 0.354 . . . . 74.299999999999997 110.117 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -97.13 125.31 41.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.011 0.524 . . . . 75.25 110.383 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.8 p -145.65 143.1 29.63 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.386 0.674 . . . . 63.039999999999999 109.571 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -65.04 91.65 0.1 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.725 0.81 . . . . 74.430000000000007 112.413 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.9 mtt -137.36 142.09 41.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.961 0.904 . . . . 75.409999999999997 109.966 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -75.54 153.57 37.35 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 116.033 -0.531 . . . . 75.120000000000005 109.787 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.9 t60 -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.717 0.407 . . . . 73.530000000000001 110.675 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.7 m -64.3 -38.17 90.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.334 0.654 . . . . 74.019999999999996 110.76 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -47.35 85.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.752 0.821 . . . . 73.150000000000006 111.252 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.49 -39.77 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-N 116.061 -0.518 . . . . 74.329999999999998 111.046 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 13' ' ' HIS . 79.6 mt -59.02 -46.12 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 122.941 0.496 . . . . 61.229999999999997 111.084 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.4 -43.25 99.19 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.523 0.729 . . . . 73.409999999999997 111.609 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 HD22 ' A' ' 37' ' ' LEU . 69.4 mt -60.27 -41.92 94.3 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 123.851 0.86 . . . . 64.200000000000003 111.39 173.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.01 -35.87 77.15 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.132 0.973 . . . . 64.129999999999995 112.104 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.96 -38.34 82.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.409 0.684 . . . . 73.310000000000002 110.655 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' A' ' 37' ' ' LEU . 16.1 tppt? -73.2 -45.18 57.78 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.131 0.573 . . . . 63.439999999999998 110.962 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.82 -37.43 79.17 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.473 1.109 . . . . 73.150000000000006 111.656 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -61.89 -39.06 90.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.232 1.013 . . . . 73.329999999999998 112.579 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.11 -34.17 20.7 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.038 0.535 . . . . 73.340000000000003 111.798 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' NE2' HD23 ' A' ' 29' ' ' LEU . 19.7 pt20 -152.06 133.31 14.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.717 0.807 . . . . 72.030000000000001 110.846 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB3' HH11 ' A' ' 56' ' ' ARG . 46.8 mmtm -86.14 -20.22 28.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.74 0.816 . . . . 73.219999999999999 112.007 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -123.49 129.02 50.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.808 0.843 . . . . 71.319999999999993 110.576 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 34' ' ' ARG . 85.8 mt -99.2 137.18 38.08 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.572 0.749 . . . . 72.030000000000001 110.991 174.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 m -74.41 162.09 29.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.99 -0.744 . . . . 74.329999999999998 108.99 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.68 -45.79 98.57 Favored Pre-proline 0 CA--C 1.575 1.936 0 N-CA-C 113.929 1.085 . . . . 63.240000000000002 113.929 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -59.75 -45.37 25.41 Favored 'Trans proline' 0 C--N 1.39 2.737 0 C-N-CA 122.022 1.814 . . . . 75.299999999999997 113.725 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.47 -38.95 85.19 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.37 0.668 . . . . 70.319999999999993 111.876 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 29' ' ' LEU . 47.7 ttp180 -69.36 -40.8 77.26 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.048 0.939 . . . . 74.519999999999996 111.304 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.76 90.6 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.532 0.733 . . . . 74.519999999999996 111.577 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.61 -39.52 91.63 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.997 0.919 . . . . 75.049999999999997 111.386 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 22' ' ' LYS . 53.1 tp -74.75 -42.56 58.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.934 0.493 . . . . 75.019999999999996 110.94 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.8 90.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.599 0.76 . . . . 73.349999999999994 112.383 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -65.95 -33.09 75.02 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.73 0.641 . . . . 73.439999999999998 112.73 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -61.72 -36.74 81.81 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.023 0.529 . . . . 75.299999999999997 111.419 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.26 11.77 23.42 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.524 0.73 . . . . 74.340000000000003 112.025 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 55.7 17.44 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 114.304 1.224 . . . . 74.120000000000005 114.304 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.6 175.35 10.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.882 0.873 . . . . 70.439999999999998 110.402 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -102.21 157.33 16.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.877 -0.786 . . . . 74.140000000000001 108.877 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.83 -39.8 62.79 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 112.937 0.718 . . . . 74.329999999999998 112.937 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -65.67 -43.22 89.98 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.875 0.47 . . . . 73.239999999999995 111.732 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -57.3 -48.51 78.76 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.21 0.604 . . . . 75.299999999999997 111.761 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.92 -49.54 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.646 0.778 . . . . 71.329999999999998 111.735 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.13 80.89 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.435 0.694 . . . . 72.450000000000003 111.891 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.97 -34.36 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 118.922 -0.561 . . . . 74.430000000000007 110.711 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.5 t90 -56.25 -55.34 34.5 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.227 0.467 . . . . 72.430000000000007 109.777 172.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -49.66 -44.31 47.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.836 0.855 . . . . 72.239999999999995 111.856 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.69 -39.98 95.69 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 123.545 0.738 . . . . 74.450000000000003 112.151 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -64.15 -42.83 96.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.581 0.752 . . . . 65.329999999999998 110.433 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 12.0 mmm180 -69.43 -29.84 67.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.208 1.003 . . . . 75.349999999999994 112.54 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 HH11 ' HB3' ' A' ' 27' ' ' LYS . 66.2 mtp85 -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.099 0.476 . . . . 71.319999999999993 110.796 170.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.17 -26.9 63.18 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 123.555 0.742 . . . . 73.430000000000007 110.703 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -77.63 -24.44 49.51 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.893 0.477 . . . . 75.200000000000003 110.946 173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -69.84 119.03 13.45 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.312 -0.996 . . . . 74.340000000000003 108.312 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -57.92 109.75 0.79 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.816 0.817 . . . . 75.200000000000003 112.269 -170.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -70.53 82.87 0.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.922 -1.035 . . . . 74.400000000000006 109.136 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -167.03 -42.48 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.331 -1.304 . . . . 75.540000000000006 109.373 -166.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.08 159.64 16.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.372 -0.831 . . . . 75.140000000000001 111.894 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.57 -53.66 48.55 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.202 1.001 . . . . 73.340000000000003 112.348 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -95.03 88.31 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.767 0.827 . . . . 62.030000000000001 111.239 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.9 p -156.72 -179.9 8.63 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.606 0.763 . . . . 72.230000000000004 110.547 173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -87.09 95.86 10.09 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.782 0.66 . . . . 75.019999999999996 112.782 -171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -121.81 118.43 28.98 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.323 1.049 . . . . 75.340000000000003 109.929 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.416 0 C-N-CA 123.483 0.563 . . . . 72.549999999999997 113.086 -175.179 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 110.311 -0.255 . . . . 74.519999999999996 110.311 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.67 -139.02 10.29 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-O 119.806 -0.441 . . . . 73.200000000000003 113.362 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 59.09 40.52 21.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.844 1.258 . . . . 64.319999999999993 111.863 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.84 106.37 12.8 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.07 0.548 . . . . 72.329999999999998 110.982 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -84.21 115.54 22.49 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.715 0.806 . . . . 71.439999999999998 109.548 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -79.23 150.01 31.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.538 0.735 . . . . 64.409999999999997 111.294 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -82.07 -28.32 32.45 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.898 0.479 . . . . 71.129999999999995 111.065 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -70.96 118.69 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.255 -0.646 . . . . 73.420000000000002 109.255 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -58.29 130.75 48.16 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.586 0.755 . . . . 74.409999999999997 111.782 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -113.09 163.85 14.21 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.564 0.746 . . . . 75.049999999999997 111.071 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.6 mpt? -62.3 157.24 20.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.803 0.841 . . . . 65.129999999999995 112.956 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -79.19 163.9 24.64 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.637 -0.711 . . . . 73.430000000000007 110.175 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -56.68 -56.57 19.81 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 113.08 0.77 . . . . 75.430000000000007 113.08 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -65.49 -30.55 71.34 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 122.984 0.514 . . . . 54.119999999999997 111.773 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -66.33 -42.37 88.27 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.295 0.638 . . . . 73.310000000000002 111.293 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.95 -40.99 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.55 0.74 . . . . 75.219999999999999 109.992 172.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.52 -49.57 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.412 0.685 . . . . 74.230000000000004 111.263 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.03 -41.03 99.43 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.557 0.743 . . . . 73.140000000000001 112.179 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 37' ' ' LEU . 76.6 mt -63.01 -39.95 96.31 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.398 -0.819 . . . . 75.409999999999997 111.275 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -68.79 -36.15 77.92 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.007 0.923 . . . . 73.439999999999998 111.624 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.04 -51.32 69.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.444 0.698 . . . . 63.420000000000002 110.319 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 37' ' ' LEU . 55.0 tptt -61.89 -40.27 94.84 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 123.332 0.653 . . . . 75.209999999999994 111.129 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.29 -36.28 81.63 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.724 1.209 . . . . 74.040000000000006 111.013 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -63.42 -44.64 94.02 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.489 0.716 . . . . 75.219999999999999 111.901 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -77.08 -31.78 56.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.31 0.244 . . . . 75.549999999999997 111.177 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.41 136.05 10.34 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.432 0.693 . . . . 74.219999999999999 111.288 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -84.5 -32.0 24.19 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.006 0.922 . . . . 74.420000000000002 111.299 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.48 121.57 44.9 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.881 0.872 . . . . 73.450000000000003 110.587 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.47 139.27 32.0 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.167 0.587 . . . . 71.140000000000001 110.476 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -78.76 171.88 14.53 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.428 -0.582 . . . . 72.010000000000005 109.428 169.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.36 99.15 Favored Pre-proline 0 CA--C 1.573 1.827 0 N-CA-C 113.678 0.992 . . . . 71.040000000000006 113.678 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.12 -33.09 26.03 Favored 'Trans proline' 0 C--N 1.388 2.652 0 CA-C-N 121.209 1.467 . . . . 74.010000000000005 113.09 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.77 -43.18 59.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.821 0.848 . . . . 62.219999999999999 112.016 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.47 -40.29 89.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.645 0.778 . . . . 74.239999999999995 110.885 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.19 88.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.375 0.67 . . . . 72.25 111.631 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -65.61 -42.57 91.44 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.122 0.569 . . . . 74.5 111.208 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 22' ' ' LYS . 58.7 tp -65.9 -43.05 89.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.565 0.746 . . . . 75.530000000000001 110.878 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.76 30.69 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.655 0.782 . . . . 61.009999999999998 112.247 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -65.11 -36.23 83.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.492 0.553 . . . . 73.549999999999997 112.492 -174.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.65 -35.09 79.39 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.303 0.641 . . . . 74.510000000000005 112.087 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -98.63 10.05 41.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.602 0.761 . . . . 73.349999999999994 111.566 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 60.38 12.97 3.73 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.912 1.285 . . . . 74.310000000000002 113.498 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.86 177.85 7.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.493 1.117 . . . . 71.349999999999994 111.656 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -107.47 156.84 18.53 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.615 0.766 . . . . 73.129999999999995 109.613 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.09 -29.52 65.52 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.174 0.59 . . . . 73.409999999999997 112.401 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -63.38 -56.47 16.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.248 0.619 . . . . 72.049999999999997 110.481 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.5 -44.46 96.32 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.469 0.707 . . . . 74.450000000000003 112.656 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -42.78 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.036 0.534 . . . . 62.399999999999999 110.971 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.07 -38.49 91.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.069 0.548 . . . . 75.219999999999999 111.752 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.28 -48.61 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.326 0.651 . . . . 74.329999999999998 110.564 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -58.49 -51.56 69.34 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.112 0.565 . . . . 74.030000000000001 110.54 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.03 -42.25 76.21 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.606 0.762 . . . . 74.439999999999998 111.968 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.44 -49.02 73.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.69 0.796 . . . . 73.120000000000005 111.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 16.8 m-80 -61.6 -40.64 95.55 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.402 0.681 . . . . 72.129999999999995 110.89 174.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -63.88 -35.32 80.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.593 0.757 . . . . 75.420000000000002 111.562 178.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -72.07 -27.62 62.79 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.302 1.041 . . . . 74.140000000000001 111.161 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -73.37 -27.53 61.53 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 123.764 0.826 . . . . 72.430000000000007 110.732 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' HD2' ' HD2' ' A' ' 55' ' ' ARG . 62.4 mttm -85.78 -22.51 27.65 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.643 0.777 . . . . 74.120000000000005 112.845 -178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -123.42 143.58 50.04 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 118.267 0.485 . . . . 73.299999999999997 112.257 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 46.27 62.43 2.28 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.141 1.377 . . . . 75.209999999999994 112.573 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.16 177.76 7.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.677 0.791 . . . . 75.099999999999994 111.176 -171.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -108.84 148.06 31.16 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.942 0.897 . . . . 75.450000000000003 110.156 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -75.36 -59.91 2.53 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.182 0.515 . . . . 71.230000000000004 110.198 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.3 -54.6 1.88 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.531 1.133 . . . . 74.129999999999995 108.747 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 p -128.3 -49.89 1.3 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.148 0.979 . . . . 73.329999999999998 110.335 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.1 p -159.75 147.48 16.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.752 0.821 . . . . 75.439999999999998 109.895 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -85.4 45.66 1.21 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.518 0.675 . . . . 74.150000000000006 111.545 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.1 tp -83.59 132.54 34.9 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.993 0.917 . . . . 74.230000000000004 110.233 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.26 0 CA-C-O 120.979 0.211 . . . . 73.349999999999994 112.942 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.485 0.183 . . . . 74.450000000000003 111.36 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.27 45.17 20.19 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 113.961 0.344 . . . . 61.009999999999998 113.961 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -93.36 9.82 34.77 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.17 0.804 . . . . 75.329999999999998 113.17 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -106.29 109.7 21.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.713 0.405 . . . . 74.219999999999999 110.394 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -165.66 -177.49 4.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.593 0.757 . . . . 75.310000000000002 110.968 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -83.95 157.78 21.79 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.335 0.654 . . . . 75.420000000000002 111.874 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -82.17 -71.54 0.48 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.176 0.59 . . . . 73.010000000000005 111.348 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -74.88 -36.86 62.26 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.041 0.536 . . . . 75.540000000000006 111.94 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -73.83 77.89 1.6 Allowed 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.849 0.833 . . . . 60.149999999999999 109.432 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -169.41 112.44 0.5 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 114.557 -1.201 . . . . 73.409999999999997 109.633 -169.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -60.26 151.82 26.45 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 123.381 0.672 . . . . 74.310000000000002 111.598 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.5 m -69.45 154.15 42.46 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 118.981 -0.533 . . . . 74.430000000000007 110.753 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -50.18 -59.54 3.83 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.5 0.72 . . . . 75.329999999999998 112.493 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -67.32 -30.41 70.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.792 0.437 . . . . 74.040000000000006 111.927 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -63.63 -43.67 96.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.992 0.517 . . . . 73.219999999999999 111.371 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.14 -37.75 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 119.044 -0.503 . . . . 74.329999999999998 110.292 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 45.3 mm -54.82 -49.6 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 122.628 0.371 . . . . 71.340000000000003 110.452 175.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 17.1 mm-40 -64.12 -43.52 95.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.901 0.881 . . . . 71.549999999999997 112.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.01 -40.7 90.19 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.695 0.798 . . . . 74.049999999999997 111.336 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.94 -33.66 70.72 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.659 1.184 . . . . 63.119999999999997 111.655 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 81.1 mtp180 -58.29 -48.0 81.86 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.487 0.715 . . . . 73.530000000000001 110.897 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HG2' HD21 ' A' ' 37' ' ' LEU . 21.3 tptm -74.7 -34.67 62.65 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.314 -0.857 . . . . 73.310000000000002 111.595 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.59 -40.25 88.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.476 0.71 . . . . 74.430000000000007 111.033 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.5 m -71.56 -26.03 62.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.279 0.632 . . . . 72.420000000000002 111.168 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -74.1 -41.0 62.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.74 . . . . 75.219999999999999 110.618 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -162.54 135.52 5.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.478 1.111 . . . . 70.310000000000002 109.787 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.51 -24.11 36.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 75.340000000000003 111.116 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -123.0 124.52 43.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.809 0.844 . . . . 74.510000000000005 110.58 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.98 154.64 18.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.683 0.793 . . . . 75.510000000000005 110.978 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -85.76 174.99 8.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.23 0.612 . . . . 75.310000000000002 109.495 166.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.46 98.62 Favored Pre-proline 0 CA--C 1.567 1.596 0 CA-C-O 118.754 -0.641 . . . . 74.439999999999998 112.378 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.61 -48.05 12.13 Favored 'Trans proline' 0 C--N 1.389 2.671 0 C-N-CA 121.658 1.572 . . . . 72.109999999999999 113.088 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -59.6 -39.7 85.07 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.984 0.914 . . . . 72.109999999999999 113.357 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -70.36 -39.74 74.44 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.608 0.763 . . . . 71.040000000000006 110.654 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -37.95 81.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.626 0.771 . . . . 73.219999999999999 111.592 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.47 -57.12 13.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.223 0.609 . . . . 73.140000000000001 109.763 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 22' ' ' LYS . 32.6 tp -62.36 -37.53 86.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.111 0.564 . . . . 75.120000000000005 111.711 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.35 -57.63 11.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.334 0.654 . . . . 71.030000000000001 111.322 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.65 -28.41 66.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.245 0.461 . . . . 74.439999999999998 112.245 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -38.57 88.83 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.579 0.752 . . . . 64.430000000000007 111.777 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -108.9 10.9 26.33 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.63 0.772 . . . . 74.409999999999997 112.649 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.12 28.93 13.72 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.586 1.154 . . . . 72.140000000000001 113.046 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.6 174.54 7.46 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.419 1.088 . . . . 71.120000000000005 110.297 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.0 p -103.7 154.23 19.77 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.796 -0.816 . . . . 65.430000000000007 108.796 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.19 -19.63 61.82 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.747 0.419 . . . . 74.239999999999995 111.973 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -70.74 -52.7 19.16 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.612 0.765 . . . . 75.140000000000001 110.753 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -62.61 -41.31 98.92 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.746 0.818 . . . . 73.0 112.398 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.37 -39.88 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.328 0.651 . . . . 75.140000000000001 111.007 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.71 -48.65 79.82 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.505 0.722 . . . . 73.209999999999994 111.902 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.39 -46.79 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.777 0.831 . . . . 73.299999999999997 110.524 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.484 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 79.8 t90 -54.91 -59.93 4.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.524 0.73 . . . . 74.219999999999999 109.866 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.3 m-85 -49.16 -44.42 42.77 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.964 0.906 . . . . 71.319999999999993 112.584 176.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -56.26 -55.33 34.55 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.362 0.665 . . . . 75.310000000000002 112.105 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -64.21 -38.57 91.51 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.842 0.457 . . . . 73.150000000000006 111.893 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 24.4 mmm180 -65.89 -32.39 73.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.709 0.633 . . . . 70.299999999999997 112.709 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 65.2 mtt180 -63.37 -38.74 92.31 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.766 0.426 . . . . 74.430000000000007 110.37 172.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.66 -31.77 70.04 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.0 0.92 . . . . 75.5 111.729 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.601 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 10.6 mmpt? -77.85 -34.48 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.476 0.711 . . . . 75.120000000000005 112.17 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p -98.06 -3.12 38.68 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.501 0.72 . . . . 73.329999999999998 110.851 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' HZ1' ' HB2' ' A' ' 60' ' ' LYS . 4.6 ttmp? -67.41 148.29 51.78 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.329 0.652 . . . . 74.310000000000002 110.353 169.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -55.5 130.79 44.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.662 0.785 . . . . 75.040000000000006 110.872 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.65 80.31 0.6 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.635 0.774 . . . . 75.109999999999999 111.795 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.41 168.85 9.4 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.291 1.036 . . . . 73.140000000000001 109.953 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.03 -17.46 64.42 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.641 0.776 . . . . 60.020000000000003 112.155 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t 72.14 -68.85 0.21 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.473 1.509 . . . . 74.120000000000005 111.839 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.9 m -112.73 -176.56 2.93 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.861 0.864 . . . . 73.439999999999998 110.948 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -94.52 100.25 12.26 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.893 0.877 . . . . 64.540000000000006 110.654 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.85 99.12 11.6 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.798 0.839 . . . . 74.140000000000001 109.815 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.418 0 CA-C-N 116.412 -0.358 . . . . 65.510000000000005 112.829 -179.203 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.029 -0.034 . . . . 73.439999999999998 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.46 -135.46 33.66 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 123.61 0.569 . . . . 64.420000000000002 114.214 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -102.54 131.37 49.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.883 0.873 . . . . 73.140000000000001 110.002 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -70.13 102.99 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.432 0.693 . . . . 74.420000000000002 110.513 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -77.46 158.21 30.09 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.672 0.389 . . . . 65.349999999999994 111.637 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -82.54 170.08 15.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.3 0.64 . . . . 70.430000000000007 112.191 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -89.79 138.35 31.56 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.22 1.008 . . . . 75.400000000000006 110.846 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -69.22 84.26 0.37 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-O 121.18 0.514 . . . . 75.310000000000002 109.936 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -90.09 35.08 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.864 0.866 . . . . 72.400000000000006 111.808 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -90.22 28.94 1.32 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.816 0.846 . . . . 74.530000000000001 111.341 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.4 mtt -148.59 149.14 31.04 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.542 1.537 . . . . 74.329999999999998 109.128 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -89.36 165.38 14.41 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.661 0.384 . . . . 62.299999999999997 110.641 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.22 -50.92 69.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.296 0.638 . . . . 72.530000000000001 111.976 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.4 m -68.74 -32.65 72.57 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.139 0.576 . . . . 75.120000000000005 111.087 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -62.85 -43.07 99.79 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.598 0.759 . . . . 74.230000000000004 111.193 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.572 ' HA ' HD11 ' A' ' 19' ' ' LEU . 47.5 t -62.8 -35.63 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.467 0.707 . . . . 72.319999999999993 111.229 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.25 -47.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 122.787 0.435 . . . . 74.329999999999998 110.504 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.44 -43.65 84.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.419 0.688 . . . . 73.349999999999994 111.231 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 16' ' ' VAL . 52.0 mt -59.36 -39.28 82.73 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 123.872 0.869 . . . . 65.540000000000006 111.053 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 44.9 mt-10 -70.28 -25.9 63.56 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.209 1.004 . . . . 74.219999999999999 112.726 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -62.51 -48.08 81.15 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 118.151 0.432 . . . . 73.430000000000007 110.993 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HG2' HD21 ' A' ' 37' ' ' LEU . 49.4 tptt -69.4 -37.12 77.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.181 0.592 . . . . 72.019999999999996 110.966 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -68.94 -32.57 72.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.579 1.152 . . . . 73.400000000000006 111.267 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -61.85 -39.68 92.71 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.847 0.859 . . . . 63.350000000000001 111.586 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -73.24 -44.69 59.03 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.384 0.673 . . . . 71.150000000000006 111.029 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.19 145.51 18.05 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.417 0.627 . . . . 71.129999999999995 112.029 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HZ3' ' HG3' ' A' ' 67' ' ' GLU . 32.3 mmtp -86.8 -22.82 25.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.362 1.065 . . . . 73.239999999999995 112.191 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -125.74 109.68 12.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.878 0.871 . . . . 71.329999999999998 110.195 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.88 145.81 25.87 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.258 0.551 . . . . 74.510000000000005 112.053 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -86.46 171.68 10.93 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.816 -0.629 . . . . 60.039999999999999 109.438 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.82 92.81 Favored Pre-proline 0 CA--C 1.577 2.003 0 N-CA-C 114.29 1.218 . . . . 62.210000000000001 114.29 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.9 -56.19 0.84 Allowed 'Trans proline' 0 C--N 1.389 2.694 0 C-N-CA 121.82 1.68 . . . . 74.150000000000006 113.7 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.71 -37.86 88.95 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.827 0.851 . . . . 75.230000000000004 112.978 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.49 -38.86 92.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.291 0.636 . . . . 64.109999999999999 111.3 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.32 73.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.566 0.746 . . . . 63.109999999999999 112.203 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -63.52 -49.2 74.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.964 0.505 . . . . 73.310000000000002 110.783 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD21 ' HG2' ' A' ' 22' ' ' LYS . 52.6 tp -64.56 -38.84 92.39 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.199 0.6 . . . . 74.109999999999999 111.22 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.35 22.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.798 0.839 . . . . 51.130000000000003 112.279 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -63.86 -35.27 80.1 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 112.818 0.673 . . . . 75.430000000000007 112.818 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -64.47 -26.61 68.51 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 112.65 0.611 . . . . 72.530000000000001 112.65 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -111.71 15.15 21.11 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 113.339 0.866 . . . . 75.109999999999999 113.339 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 56.42 19.74 4.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.237 0.828 . . . . 74.400000000000006 113.237 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -92.09 178.35 5.89 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.054 0.942 . . . . 74.319999999999993 110.439 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -114.81 166.16 12.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.315 0.646 . . . . 75.25 109.567 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.18 -27.76 69.59 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.04 0.536 . . . . 73.420000000000002 110.903 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -63.54 -55.69 21.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.636 0.774 . . . . 71.420000000000002 110.447 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.45 -49.18 78.6 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.968 0.907 . . . . 73.430000000000007 112.087 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.36 -37.75 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.692 0.797 . . . . 74.010000000000005 111.468 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 6.9 ttpm? -68.05 -38.84 82.95 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.426 0.291 . . . . 75.340000000000003 111.326 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.69 -49.58 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.003 0.521 . . . . 74.219999999999999 110.354 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.23 -54.89 41.72 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-O 119.009 -0.52 . . . . 73.129999999999995 111.111 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -57.37 -38.37 74.11 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.949 0.722 . . . . 72.140000000000001 112.949 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.84 -54.03 41.33 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.622 0.769 . . . . 75.120000000000005 111.405 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -65.11 -43.38 92.21 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.306 1.043 . . . . 73.450000000000003 111.421 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 59' ' ' THR . 13.6 tpt180 -62.56 -45.66 91.9 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.407 1.083 . . . . 74.329999999999998 111.159 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -63.38 -38.04 89.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.449 0.7 . . . . 74.510000000000005 109.799 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.3 -32.63 74.39 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.702 0.401 . . . . 74.310000000000002 111.601 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.84 -6.89 57.03 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.68 0.993 . . . . 74.010000000000005 113.68 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 55' ' ' ARG . 66.6 p -77.82 15.59 0.83 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 112.774 0.657 . . . . 71.420000000000002 112.774 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' A' ' 60' ' ' LYS . 9.1 mtpm? -67.31 82.12 0.14 Allowed 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.786 0.803 . . . . 74.420000000000002 110.769 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -155.14 -43.88 0.08 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 114.589 -1.187 . . . . 74.120000000000005 109.44 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -115.03 136.29 53.29 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.375 1.07 . . . . 74.239999999999995 109.173 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -48.87 138.29 11.5 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.965 0.906 . . . . 74.019999999999996 112.965 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 tp -63.51 -18.8 64.19 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.211 1.005 . . . . 74.349999999999994 112.171 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -57.09 -29.17 63.28 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.364 1.066 . . . . 75.219999999999999 112.162 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.4 p -70.2 -39.53 75.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.131 0.572 . . . . 71.420000000000002 111.141 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HG3' ' HZ3' ' A' ' 27' ' ' LYS . 33.9 tt0 -71.9 -39.48 69.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.261 0.624 . . . . 74.349999999999994 111.195 176.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.74 93.25 4.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.349 0.66 . . . . 75.409999999999997 110.229 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.251 0 CA-C-N 116.052 -0.522 . . . . 71.530000000000001 112.307 175.356 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 110.299 -0.259 . . . . 70.030000000000001 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.86 72.36 2.62 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.467 -0.253 . . . . 73.120000000000005 112.467 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -86.56 -11.64 50.98 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 124.064 0.946 . . . . 74.519999999999996 113.047 -172.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -55.79 -28.65 57.22 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.318 1.229 . . . . 75.120000000000005 114.318 -173.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -64.54 115.96 5.69 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.161 0.505 . . . . 73.409999999999997 110.333 175.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -157.67 141.54 15.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.078 0.551 . . . . 74.5 110.412 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -90.61 146.06 24.36 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.475 0.71 . . . . 71.530000000000001 111.565 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -116.13 81.84 1.68 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.922 0.889 . . . . 72.530000000000001 109.836 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -69.18 102.72 1.74 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 71.430000000000007 112.475 -172.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -104.69 131.87 51.61 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.933 0.493 . . . . 72.310000000000002 109.855 175.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.44 166.84 7.73 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 122.773 0.429 . . . . 75.230000000000004 111.101 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 t -66.0 148.96 51.0 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 118.683 -0.675 . . . . 73.140000000000001 109.664 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.73 -48.84 74.51 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.474 0.579 . . . . 74.400000000000006 112.522 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -63.69 -39.31 94.01 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.859 0.463 . . . . 61.030000000000001 110.823 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 41' ' ' LEU . 62.9 tt0 -63.02 -44.21 96.59 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.291 1.036 . . . . 71.129999999999995 112.11 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.84 -42.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.632 0.773 . . . . 73.519999999999996 110.215 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 85.7 mt -59.01 -40.31 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 123.703 0.801 . . . . 64.519999999999996 111.33 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.0 mm-40 -64.57 -44.81 89.51 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.21 0.604 . . . . 72.510000000000005 110.967 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.06 -36.61 77.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.097 0.959 . . . . 74.340000000000003 111.125 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.133 0.973 . . . . 73.150000000000006 112.313 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 44.2 mtm180 -68.34 -30.81 69.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 120.729 0.3 . . . . 73.140000000000001 111.032 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -77.14 -42.05 39.36 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.288 0.635 . . . . 71.099999999999994 110.138 172.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.77 -42.07 97.85 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.783 1.233 . . . . 74.319999999999993 112.568 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -66.77 -22.04 66.04 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.966 0.906 . . . . 73.219999999999999 112.961 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -93.89 -37.22 11.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.825 0.45 . . . . 75.120000000000005 111.023 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.13 128.56 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.813 0.816 . . . . 75.430000000000007 111.404 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -81.44 -24.49 36.81 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.417 -0.811 . . . . 74.420000000000002 111.418 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -117.9 136.98 53.12 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.373 1.069 . . . . 74.219999999999999 110.919 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.87 145.4 30.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.768 0.827 . . . . 72.299999999999997 111.125 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.6 m -83.32 169.6 15.49 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.68 -0.489 . . . . 73.049999999999997 109.68 168.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.53 99.26 Favored Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 113.71 1.004 . . . . 64.450000000000003 113.71 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.62 -49.13 12.61 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 121.837 1.691 . . . . 73.5 112.96 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.48 -43.64 98.5 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.949 0.899 . . . . 64.099999999999994 112.794 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.05 -37.6 75.59 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.479 -0.782 . . . . 71.540000000000006 111.603 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.03 90.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.461 0.704 . . . . 52.439999999999998 111.864 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -64.9 -46.59 81.08 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.98 0.512 . . . . 72.150000000000006 111.98 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.0 tp -63.33 -33.86 76.45 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.807 0.443 . . . . 73.030000000000001 111.188 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.81 -57.16 8.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.401 0.681 . . . . 74.450000000000003 112.149 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.8 -40.32 96.37 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.557 0.577 . . . . 75.030000000000001 112.557 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -66.5 -33.02 74.75 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.367 0.667 . . . . 65.340000000000003 112.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' HB3' HE21 ' A' ' 15' ' ' GLN . 90.3 mt -102.14 11.82 37.73 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.298 0.639 . . . . 73.349999999999994 111.917 175.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mptt 59.41 16.69 5.34 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.907 1.283 . . . . 73.030000000000001 113.889 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -86.89 -179.05 6.45 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.915 0.886 . . . . 73.140000000000001 110.329 173.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -110.0 160.0 16.8 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.027 -0.731 . . . . 73.409999999999997 109.027 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.35 -34.98 64.72 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.301 0.641 . . . . 72.040000000000006 111.428 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 85.1 m -62.26 -52.23 64.57 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.434 0.694 . . . . 74.019999999999996 111.06 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.63 -44.98 95.97 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.803 0.841 . . . . 74.299999999999997 112.305 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.73 -42.8 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.431 0.692 . . . . 72.329999999999998 111.248 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.84 -42.43 97.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.068 0.547 . . . . 73.25 111.488 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 99.5 mt -62.56 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.718 0.807 . . . . 72.430000000000007 110.533 178.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -57.85 -56.86 16.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.316 0.646 . . . . 73.140000000000001 110.481 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -56.39 -38.24 71.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.879 0.872 . . . . 72.230000000000004 112.715 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HG3' ' HG2' ' A' ' 63' ' ' GLN . 29.9 tt0 -64.4 -54.56 30.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.501 0.72 . . . . 54.450000000000003 111.302 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 35.7 m-80 -61.37 -40.83 95.74 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.538 0.735 . . . . 75.340000000000003 112.036 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -60.23 -44.32 95.3 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.529 0.566 . . . . 74.140000000000001 112.529 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -69.9 -28.27 65.49 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.023 0.44 . . . . 75.140000000000001 110.817 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' HD1' ' H ' ' A' ' 63' ' ' GLN . 39.2 t80 -76.92 -24.27 52.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.593 0.757 . . . . 73.120000000000005 111.497 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HB3' ' HZ2' ' A' ' 58' ' ' LYS . 8.8 mtpm? -77.53 -6.96 55.46 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.568 0.747 . . . . 74.200000000000003 111.588 175.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 t -116.83 -162.78 0.87 Allowed 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 109.025 -0.732 . . . . 74.129999999999995 109.025 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.12 -12.18 53.95 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 114.87 1.433 . . . . 75.420000000000002 114.87 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -87.15 93.42 9.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.897 0.38 . . . . 74.5 111.422 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.13 107.34 11.82 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.705 0.402 . . . . 74.420000000000002 110.325 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' HG3' ' A' ' 53' ' ' GLN . 2.9 mp0 -67.63 142.77 56.31 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.52 0.728 . . . . 73.329999999999998 111.37 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.49 -57.82 5.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.06 -0.718 . . . . 74.129999999999995 109.06 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t 68.94 152.6 0.09 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 125.328 1.451 . . . . 61.43 113.037 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -68.89 -28.11 66.4 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.284 0.634 . . . . 74.109999999999999 111.651 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.62 115.46 10.83 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.56 0.744 . . . . 73.519999999999996 110.882 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.2 169.17 18.12 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.563 0.745 . . . . 74.219999999999999 112.275 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.936 0 CA-C-N 115.67 -0.695 . . . . 74.319999999999993 113.436 178.016 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.958 0.409 . . . . 74.420000000000002 111.766 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.14 111.83 2.85 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 111.591 -0.604 . . . . 74.349999999999994 111.591 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -75.27 97.31 3.52 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 122.989 0.515 . . . . 74.319999999999993 110.907 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -74.92 124.66 27.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.421 0.688 . . . . 63.329999999999998 112.165 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -85.3 133.77 34.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.505 0.722 . . . . 72.430000000000007 110.375 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -161.41 105.96 1.3 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.223 1.009 . . . . 75.340000000000003 110.184 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -79.8 131.39 35.89 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.659 0.784 . . . . 74.25 112.275 -172.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.3 117.44 29.03 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.741 0.816 . . . . 75.420000000000002 109.847 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 t -72.79 92.78 1.61 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.949 0.5 . . . . 75.239999999999995 110.972 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -78.83 86.31 4.75 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.479 0.657 . . . . 73.340000000000003 109.782 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 51' ' ' TRP . 66.2 mtm -69.6 165.64 20.69 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.955 -1.021 . . . . 64.5 112.413 -177.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 m -74.96 148.83 39.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.142 0.577 . . . . 73.129999999999995 110.939 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 84.8 t60 -60.22 -46.24 90.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.137 0.575 . . . . 70.409999999999997 111.41 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.462 ' HA ' HD13 ' A' ' 17' ' ' ILE . 35.0 m -64.66 -34.75 79.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.473 0.709 . . . . 75.340000000000003 111.201 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.73 -41.51 83.37 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.644 0.778 . . . . 64.420000000000002 111.732 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 19' ' ' LEU . 92.5 t -64.57 -33.67 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 122.999 0.519 . . . . 75.099999999999994 110.999 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 14' ' ' THR . 79.3 mt -57.28 -47.16 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 122.99 0.516 . . . . 73.400000000000006 110.197 171.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.46 -41.28 98.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.749 0.82 . . . . 75.329999999999998 112.045 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 16' ' ' VAL . 60.6 mt -59.15 -40.85 86.8 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.76 0.824 . . . . 73.329999999999998 111.093 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.54 -26.66 60.11 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.923 0.889 . . . . 64.299999999999997 112.463 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.8 mtp180 -60.85 -36.34 78.9 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.005 0.522 . . . . 71.329999999999998 110.827 171.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -83.0 -37.87 23.41 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.588 -0.733 . . . . 70.519999999999996 110.709 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.33 -37.39 85.24 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.347 1.059 . . . . 75.219999999999999 112.556 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.1 p -64.79 -29.16 70.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.583 0.753 . . . . 61.310000000000002 112.578 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -85.26 -35.84 21.29 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.923 0.489 . . . . 75.209999999999994 110.914 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -154.91 131.86 10.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.268 0.627 . . . . 70.140000000000001 110.623 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -75.61 -18.71 59.62 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.763 0.825 . . . . 74.25 112.213 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -141.2 137.69 32.82 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.004 0.922 . . . . 74.329999999999998 110.554 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -95.5 166.17 11.99 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.968 0.907 . . . . 73.5 112.159 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -89.2 163.78 15.26 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.294 -1.002 . . . . 71.430000000000007 108.294 165.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.59 99.72 Favored Pre-proline 0 CA--C 1.569 1.676 0 N-CA-C 113.199 0.814 . . . . 73.349999999999994 113.199 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.57 -42.38 55.06 Favored 'Trans proline' 0 C--N 1.393 2.873 0 C-N-CA 122.041 1.827 . . . . 75.439999999999998 113.858 172.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.65 -34.55 74.16 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 123.683 0.793 . . . . 71.299999999999997 112.297 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -65.96 -43.61 87.41 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.438 1.095 . . . . 73.340000000000003 110.655 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.14 70.5 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.363 -0.835 . . . . 74.530000000000001 111.771 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.26 -39.86 94.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.26 1.024 . . . . 75.439999999999998 110.872 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD23 HD23 ' A' ' 19' ' ' LEU . 26.7 tp -80.22 -37.36 33.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.337 0.655 . . . . 73.129999999999995 111.116 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -50.4 72.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 73.219999999999999 112.213 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.49 -40.68 95.43 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.664 0.616 . . . . 62.32 112.664 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -58.66 -46.11 87.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.113 0.565 . . . . 72.319999999999993 111.534 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.7 mt -96.81 7.04 47.51 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.382 -0.826 . . . . 72.310000000000002 112.36 -174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 57.75 21.99 7.99 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.461 1.104 . . . . 73.030000000000001 112.804 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD23 ' NE2' ' A' ' 47' ' ' GLN . 92.3 mt -86.13 173.8 9.59 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.97 0.908 . . . . 73.140000000000001 110.371 176.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -98.94 158.45 15.63 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.551 -0.907 . . . . 62.140000000000001 108.551 171.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.29 -28.99 65.5 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.64 0.257 . . . . 72.019999999999996 111.633 172.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 50' ' ' ILE . 92.5 m -62.5 -53.4 55.31 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 123.647 0.779 . . . . 64.349999999999994 110.796 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.432 ' NE2' HD23 ' A' ' 43' ' ' LEU . 28.9 mt-30 -65.29 -38.98 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.69 0.796 . . . . 72.129999999999995 112.902 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.45 -44.82 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 122.75 0.42 . . . . 72.340000000000003 110.399 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.04 -42.55 90.51 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.437 0.695 . . . . 71.549999999999997 111.564 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 46' ' ' THR . 96.8 mt -63.83 -48.62 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.884 0.874 . . . . 74.010000000000005 111.219 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 89.2 t90 -60.34 -54.13 49.32 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.353 0.408 . . . . 74.099999999999994 110.766 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.9 m-85 -58.54 -36.59 74.11 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.57 0.544 . . . . 74.010000000000005 112.43 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.95 -51.88 54.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.747 0.819 . . . . 61.420000000000002 111.257 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 90.7 m-20 -58.12 -42.53 85.98 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.826 0.851 . . . . 74.209999999999994 110.997 174.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 5.1 tpt180 -66.95 -35.99 81.23 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.259 1.024 . . . . 73.530000000000001 112.084 -174.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 52' ' ' PHE . 81.5 mtm-85 -72.59 -27.68 62.32 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.654 0.381 . . . . 71.319999999999993 110.692 173.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -76.29 -25.94 55.39 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.302 0.641 . . . . 73.409999999999997 111.119 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 10.7 mmpt? -74.1 -15.03 61.07 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.279 0.632 . . . . 75.099999999999994 111.766 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -117.78 173.28 6.84 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.852 0.861 . . . . 65.129999999999995 109.345 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 mttp 61.35 17.55 8.43 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.18 0.992 . . . . 75.120000000000005 112.302 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -63.39 149.42 45.93 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.54 0.736 . . . . 74.219999999999999 111.126 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -53.28 160.36 1.14 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.901 1.28 . . . . 74.140000000000001 113.21 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -49.64 148.07 3.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.788 1.235 . . . . 75.329999999999998 111.917 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.14 -26.82 67.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.65 0.78 . . . . 74.319999999999993 112.091 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.286 0.635 . . . . 53.509999999999998 110.962 172.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.5 p 55.03 25.61 7.16 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 125.614 1.566 . . . . 73.409999999999997 112.478 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.37 -59.83 3.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.093 0.957 . . . . 71.430000000000007 111.456 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -54.63 133.88 46.75 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.797 0.839 . . . . 64.299999999999997 111.402 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.43 0 CA-C-N 116.572 -0.286 . . . . 73.319999999999993 112.779 -178.483 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.479 0.181 . . . . 74.329999999999998 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.19 -173.13 20.84 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 123.457 0.551 . . . . 73.409999999999997 113.064 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -141.13 131.49 25.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.662 0.785 . . . . 64.019999999999996 110.34 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -163.41 118.09 1.63 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.857 0.863 . . . . 75.340000000000003 109.474 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -155.73 110.33 2.9 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.823 0.449 . . . . 72.430000000000007 110.735 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.85 121.58 32.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.121 0.568 . . . . 73.010000000000005 110.408 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -92.17 147.47 22.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.843 0.457 . . . . 71.409999999999997 110.465 172.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -99.19 116.36 31.21 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.346 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -111.64 82.63 1.65 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.431 0.634 . . . . 72.340000000000003 110.745 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -120.16 144.81 47.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.947 0.899 . . . . 74.150000000000006 110.043 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.4 mpt? -60.92 167.1 3.03 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 123.673 0.789 . . . . 75.430000000000007 112.306 174.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -65.84 158.76 26.98 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.17 0.588 . . . . 72.030000000000001 110.641 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -57.33 -62.43 1.78 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.725 0.639 . . . . 73.420000000000002 112.725 -171.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -60.06 -33.29 71.85 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.765 0.826 . . . . 73.299999999999997 111.415 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.46 -44.51 86.97 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.677 1.191 . . . . 72.349999999999994 112.493 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.83 -43.84 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.319 0.648 . . . . 73.129999999999995 110.138 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 58.5 mt -60.35 -39.13 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 123.444 0.698 . . . . 74.439999999999998 110.872 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.09 -43.22 92.83 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.474 0.71 . . . . 73.319999999999993 112.212 175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.49 -40.64 92.06 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.709 0.804 . . . . 71.310000000000002 110.624 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.85 -36.42 82.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.556 1.142 . . . . 75.310000000000002 112.104 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 79.4 mtp180 -58.64 -38.59 78.44 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.382 0.673 . . . . 75.340000000000003 111.052 173.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HG3' HD23 ' A' ' 29' ' ' LEU . 50.3 tptt -80.8 -36.19 32.05 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 115.94 -0.573 . . . . 75.239999999999995 111.61 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -67.91 -37.34 81.57 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.066 0.946 . . . . 74.349999999999994 112.165 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -65.84 -28.51 69.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.851 0.86 . . . . 64.230000000000004 111.744 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -81.98 -42.27 19.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.931 0.492 . . . . 75.420000000000002 111.472 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -151.36 134.57 15.99 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 121.639 0.733 . . . . 63.32 111.672 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.671 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 40.7 mmtm -73.12 -24.59 60.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.314 1.046 . . . . 74.040000000000006 113.681 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.34 143.39 35.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.945 0.898 . . . . 70.019999999999996 110.251 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' HG3' ' A' ' 22' ' ' LYS . 57.8 mt -96.81 152.83 18.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.12 0.568 . . . . 73.310000000000002 111.269 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -83.94 168.67 15.8 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.766 -0.827 . . . . 65.409999999999997 108.766 166.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.15 98.56 Favored Pre-proline 0 CA--C 1.572 1.802 0 N-CA-C 113.906 1.076 . . . . 63.229999999999997 113.906 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -60.99 -50.96 5.24 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 121.822 1.681 . . . . 61.109999999999999 113.631 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.07 -38.04 84.82 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 123.537 0.735 . . . . 74.329999999999998 112.365 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -72.12 -41.63 66.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.412 0.685 . . . . 74.420000000000002 111.315 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.01 80.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.61 0.764 . . . . 62.32 112.042 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.89 -46.31 88.42 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.837 -0.62 . . . . 71.299999999999997 111.669 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 ' HG2' ' A' ' 22' ' ' LYS . 34.2 tp -65.06 -39.44 93.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.52 0.328 . . . . 73.049999999999997 111.131 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.49 57.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.613 0.765 . . . . 74.549999999999997 112.189 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -67.34 -30.32 70.1 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.634 0.605 . . . . 71.140000000000001 112.634 -177.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.5 -46.84 87.67 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.061 0.544 . . . . 74.239999999999995 111.001 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -92.81 1.6 57.2 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.049 0.94 . . . . 74.319999999999993 112.398 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 62.93 17.13 9.78 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.374 1.07 . . . . 71.519999999999996 112.9 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.34 177.16 8.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.34 1.056 . . . . 74.430000000000007 110.755 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -105.15 157.93 16.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.199 -0.667 . . . . 71.540000000000006 109.199 170.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.98 -29.12 64.98 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.867 0.467 . . . . 73.420000000000002 111.99 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -65.38 -53.41 43.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.264 0.625 . . . . 53.210000000000001 110.444 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -57.76 -48.86 78.43 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.888 0.875 . . . . 62.399999999999999 112.408 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.66 -46.23 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.745 . . . . 73.019999999999996 111.316 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HB3' ' HZ1' ' A' ' 49' ' ' LYS . 5.9 ttpm? -69.33 -34.87 75.29 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 122.728 0.411 . . . . 74.230000000000004 111.657 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.79 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.187 0.595 . . . . 72.209999999999994 110.189 173.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -57.78 -56.45 21.81 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.325 0.65 . . . . 71.450000000000003 110.619 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.22 -40.08 61.13 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.637 0.775 . . . . 74.209999999999994 111.955 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -50.61 71.06 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.01 0.924 . . . . 54.140000000000001 112.519 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -59.44 -50.01 75.58 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.575 0.75 . . . . 74.019999999999996 110.618 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' O ' HG21 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.34 -33.61 72.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.587 -1.188 . . . . 72.430000000000007 112.296 -179.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.671 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mmm180 -64.77 -47.37 78.42 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.432 0.693 . . . . 74.230000000000004 111.347 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.8 -26.87 67.16 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 115.917 -0.583 . . . . 75.439999999999998 111.259 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -89.7 -10.5 45.51 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.04 0.755 . . . . 75.329999999999998 113.04 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 55' ' ' ARG . 60.8 p -61.5 172.48 1.17 Allowed 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.719 0.771 . . . . 75.340000000000003 111.768 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -74.33 -0.5 17.32 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 115.61 -0.723 . . . . 73.200000000000003 111.719 175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -120.18 128.11 53.09 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.8 0.84 . . . . 75.25 110.578 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -90.75 156.72 17.86 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.462 0.705 . . . . 74.519999999999996 111.061 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.04 173.32 10.55 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.0 0.92 . . . . 74.430000000000007 111.342 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -40.54 87.82 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 124.226 1.01 . . . . 75.409999999999997 112.548 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -76.68 138.87 40.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.426 0.291 . . . . 74.400000000000006 110.94 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.5 t -117.87 97.77 6.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.414 0.686 . . . . 73.230000000000004 110.503 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.29 72.73 10.68 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 121.452 0.644 . . . . 65.209999999999994 109.518 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.3 tp -174.04 155.6 2.54 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.823 1.249 . . . . 75.519999999999996 109.169 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.165 0 CA-C-O 120.97 0.206 . . . . 62.310000000000002 113.063 -179.428 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptt? . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.685 0.254 . . . . 74.450000000000003 111.685 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.18 74.94 0.65 Allowed Glycine 0 CA--C 1.541 1.68 0 N-CA-C 114.983 0.753 . . . . 71.230000000000004 114.983 -173.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -76.44 115.98 16.7 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.666 0.787 . . . . 75.340000000000003 110.278 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -69.59 119.72 14.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.257 0.623 . . . . 74.409999999999997 110.52 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -61.99 118.76 7.71 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.749 0.419 . . . . 74.319999999999993 111.582 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -69.52 109.32 4.2 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 109.436 -0.579 . . . . 74.129999999999995 109.436 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -66.99 92.79 0.25 Allowed 'General case' 0 CA--C 1.556 1.198 0 CA-C-O 121.809 0.814 . . . . 74.420000000000002 110.261 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -71.02 133.43 46.33 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.005 -0.998 . . . . 74.439999999999998 110.237 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.7 p -68.78 134.73 50.16 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.737 0.643 . . . . 72.450000000000003 112.737 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -98.68 152.88 19.16 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.464 0.706 . . . . 74.230000000000004 110.238 168.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.505 ' N ' ' SD ' ' A' ' 11' ' ' MET . 0.6 OUTLIER -67.46 159.41 29.65 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.611 0.765 . . . . 75.109999999999999 112.597 175.462 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m -74.55 155.71 37.61 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.418 0.687 . . . . 74.519999999999996 110.926 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -57.41 -58.04 10.02 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.16 0.8 . . . . 73.230000000000004 113.16 -171.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m -62.57 -28.04 69.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.241 0.616 . . . . 75.230000000000004 111.692 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.02 -38.61 66.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.847 0.859 . . . . 74.109999999999999 111.707 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.63 -33.1 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.631 0.773 . . . . 73.430000000000007 110.386 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 77.3 mt -56.56 -51.27 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.08 0.552 . . . . 74.239999999999995 110.608 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.11 -43.0 99.79 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.785 0.834 . . . . 75.129999999999995 111.957 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 37' ' ' LEU . 28.8 mt -60.49 -36.85 79.3 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.259 1.024 . . . . 71.150000000000006 111.423 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.44 -29.64 47.13 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.187 0.595 . . . . 73.310000000000002 112.598 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 85.0 mtp180 -60.58 -32.51 71.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.271 0.558 . . . . 65.420000000000002 110.188 171.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.25 -44.25 19.99 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.964 0.905 . . . . 73.400000000000006 111.432 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -67.33 -31.76 72.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.156 0.982 . . . . 75.319999999999993 112.628 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -69.8 -32.49 70.98 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.29 0.636 . . . . 54.200000000000003 112.173 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.28 -37.51 32.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.107 0.563 . . . . 75.120000000000005 111.386 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' NE2' HD23 ' A' ' 29' ' ' LEU . 20.6 pt20 -155.87 142.43 18.66 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.513 0.673 . . . . 75.230000000000004 111.867 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.85 -22.4 20.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.452 0.701 . . . . 75.420000000000002 111.85 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.62 114.74 21.02 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.416 0.687 . . . . 72.019999999999996 110.542 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD23 ' NE2' ' A' ' 26' ' ' GLN . 93.8 mt -92.17 146.7 23.51 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.581 0.752 . . . . 74.409999999999997 111.254 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -76.56 173.81 11.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.065 0.546 . . . . 72.439999999999998 109.999 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.25 94.99 Favored Pre-proline 0 CA--C 1.565 1.555 0 CA-C-O 118.499 -0.762 . . . . 74.219999999999999 112.58 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.49 -50.8 8.64 Favored 'Trans proline' 0 C--N 1.387 2.599 0 C-N-CA 121.667 1.578 . . . . 73.150000000000006 113.181 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB3' HD21 ' A' ' 29' ' ' LEU . 1.6 mp0 -64.78 -39.18 93.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -174.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.486 HH11 ' HB3' ' A' ' 45' ' ' GLU . 32.8 ttp85 -64.18 -39.83 94.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.187 0.595 . . . . 75.120000000000005 110.884 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.09 73.79 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.385 0.674 . . . . 71.310000000000002 112.341 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -66.79 -38.32 86.3 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.46 0.704 . . . . 74.510000000000005 110.427 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 HD21 ' A' ' 19' ' ' LEU . 21.3 tp -74.12 -38.46 63.79 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.589 -0.732 . . . . 64.140000000000001 110.646 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.59 -55.41 35.4 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.683 0.793 . . . . 70.420000000000002 112.29 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.03 0.752 . . . . 74.25 113.03 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.21 -38.76 92.43 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 75.430000000000007 112.198 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -96.72 8.17 44.88 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.393 0.677 . . . . 75.319999999999993 112.75 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 56.76 24.48 9.12 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.127 0.971 . . . . 72.420000000000002 113.426 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -88.04 179.48 6.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.062 0.945 . . . . 74.200000000000003 110.494 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.0 p -106.89 161.69 14.48 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.911 -0.774 . . . . 71.329999999999998 108.911 168.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' HB3' HH11 ' A' ' 34' ' ' ARG . 55.2 mt-10 -59.74 -34.41 72.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.773 0.429 . . . . 72.439999999999998 111.773 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 50' ' ' ILE . 87.2 m -63.62 -46.08 87.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.044 0.537 . . . . 74.140000000000001 110.802 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.86 -43.11 94.06 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.676 0.621 . . . . 75.329999999999998 112.676 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.18 -43.5 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.592 0.357 . . . . 72.140000000000001 110.065 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.511 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 4.5 ttpm? -61.32 -40.42 94.12 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 122.879 0.472 . . . . 73.239999999999995 111.979 175.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 46' ' ' THR . 97.5 mt -61.16 -59.68 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.461 0.704 . . . . 73.140000000000001 110.608 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -51.44 -58.77 5.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.104 0.878 . . . . 74.129999999999995 110.023 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -55.17 -38.57 68.48 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.137 0.792 . . . . 73.209999999999994 113.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.59 -52.08 62.52 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.896 0.478 . . . . 73.25 111.69 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.639 0.376 . . . . 65.109999999999999 111.359 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -63.16 -34.09 76.87 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.184 0.594 . . . . 74.340000000000003 111.914 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -65.92 -38.62 89.16 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.804 0.442 . . . . 71.340000000000003 110.132 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -67.78 -27.67 66.95 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.603 0.761 . . . . 71.540000000000006 111.081 173.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -89.2 -13.0 39.28 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.178 0.807 . . . . 74.129999999999995 113.178 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 m -72.15 80.68 0.97 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 118.846 0.748 . . . . 71.349999999999994 112.337 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 48.11 30.46 2.13 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.265 1.426 . . . . 73.319999999999993 114.551 169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -72.28 169.96 15.13 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.981 0.513 . . . . 63.240000000000002 112.204 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -62.12 136.85 58.12 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.392 -0.822 . . . . 75.519999999999996 110.629 173.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -117.68 -170.29 1.84 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.549 0.739 . . . . 74.150000000000006 110.419 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 22.9 tp -68.78 -32.13 71.65 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.919 0.488 . . . . 74.129999999999995 111.209 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m 70.61 -55.31 0.63 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 125.844 1.658 . . . . 71.239999999999995 111.993 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -88.78 67.3 8.28 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 109.037 -0.727 . . . . 72.329999999999998 109.037 165.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 64' ' ' LEU . 42.7 tt0 -106.62 132.94 52.03 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.88 0.872 . . . . 73.329999999999998 111.692 -173.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.4 tp -79.34 -41.58 27.58 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.54 0.736 . . . . 73.299999999999997 110.285 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.678 0 CA-C-N 115.829 -0.623 . . . . 74.340000000000003 113.616 176.556 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 110.382 -0.229 . . . . 72.400000000000006 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.98 42.02 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 113.853 0.301 . . . . 54.140000000000001 113.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -102.96 155.6 18.25 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.393 0.677 . . . . 72.049999999999997 110.706 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -66.87 136.66 55.74 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.132 0.573 . . . . 71.019999999999996 111.171 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -77.35 133.15 38.81 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.771 0.32 . . . . 73.019999999999996 110.842 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -124.63 107.16 10.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.678 0.791 . . . . 71.450000000000003 111.157 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -76.02 132.38 40.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.438 0.295 . . . . 73.420000000000002 110.407 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -88.68 141.15 28.75 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.266 -0.272 . . . . 73.420000000000002 110.266 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -62.36 133.84 55.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.71 0.804 . . . . 73.420000000000002 111.152 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -79.42 179.91 7.17 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.191 0.52 . . . . 64.400000000000006 111.954 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.49 ' HE1' HD12 ' A' ' 43' ' ' LEU . 46.5 mtt -149.65 159.12 44.59 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.336 1.054 . . . . 70.239999999999995 109.632 -169.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -88.41 161.21 17.19 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.952 -0.467 . . . . 74.510000000000005 110.938 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.7 -56.74 17.66 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.609 0.764 . . . . 75.129999999999995 112.869 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -65.16 -32.61 74.38 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.639 0.376 . . . . 75.409999999999997 111.632 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.17 -46.82 88.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.18 0.592 . . . . 64.439999999999998 111.027 174.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.574 ' HA ' HD12 ' A' ' 19' ' ' LEU . 98.4 t -64.42 -30.41 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.161 0.584 . . . . 74.019999999999996 111.556 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.58 -48.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 CA-C-N 118.459 0.572 . . . . 74.409999999999997 110.454 173.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.75 0.82 . . . . 75.450000000000003 111.901 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.7 mt -62.74 -46.78 86.5 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.079 0.951 . . . . 65.25 111.142 171.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.86 -29.89 70.86 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.252 1.021 . . . . 72.340000000000003 112.172 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -59.38 -53.46 57.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.151 0.58 . . . . 73.140000000000001 110.673 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HG2' HD22 ' A' ' 37' ' ' LEU . 47.7 tptt -64.0 -37.06 86.03 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.625 -0.716 . . . . 73.530000000000001 111.543 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -66.01 -42.8 89.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.383 1.073 . . . . 74.150000000000006 111.217 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -61.85 -30.15 70.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.064 0.946 . . . . 75.129999999999995 112.628 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -79.46 -46.45 17.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.542 0.337 . . . . 73.019999999999996 111.644 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -154.86 143.0 20.26 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.331 0.653 . . . . 65.5 111.548 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 30.4 mmtp -89.85 -17.25 28.44 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.513 0.931 . . . . 75.099999999999994 113.513 -172.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.06 127.29 33.72 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.641 0.777 . . . . 74.030000000000001 110.567 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.2 mt -100.5 137.92 38.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.157 0.583 . . . . 75.319999999999993 111.109 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.5 m -77.77 174.16 11.29 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.687 -0.486 . . . . 73.510000000000005 109.687 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.85 79.44 Favored Pre-proline 0 CA--C 1.574 1.897 0 N-CA-C 114.208 1.188 . . . . 74.299999999999997 114.208 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.65 -49.68 6.74 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.825 1.683 . . . . 70.040000000000006 114.206 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.63 -33.28 68.8 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.438 0.695 . . . . 74.400000000000006 112.864 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.06 -44.15 73.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.53 0.732 . . . . 74.340000000000003 110.673 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.52 80.68 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.101 -0.954 . . . . 62.43 111.533 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.72 -49.35 66.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.721 0.808 . . . . 73.049999999999997 111.204 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.0 tp -64.8 -37.12 86.54 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.11 0.481 . . . . 73.549999999999997 110.656 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -51.3 64.99 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.424 -0.807 . . . . 73.019999999999996 112.953 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.77 -38.02 88.95 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 118.293 0.497 . . . . 74.519999999999996 112.062 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -56.13 -44.85 79.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.772 0.829 . . . . 74.010000000000005 111.713 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.0 10.21 36.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.435 0.694 . . . . 75.040000000000006 112.068 -175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 55.42 22.62 5.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.687 1.195 . . . . 75.140000000000001 113.456 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD12 ' HE1' ' A' ' 11' ' ' MET . 87.9 mt -86.94 178.27 7.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.079 0.952 . . . . 72.319999999999993 109.879 172.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -110.62 161.26 15.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.834 0.454 . . . . 75.549999999999997 110.027 172.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.22 -35.18 64.64 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 74.519999999999996 112.498 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -62.89 -50.03 72.49 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.192 0.597 . . . . 75.310000000000002 111.458 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.3 -48.48 81.57 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.654 0.781 . . . . 71.109999999999999 111.861 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.46 -49.9 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.179 0.992 . . . . 70.030000000000001 112.265 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.58 -47.81 82.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.695 0.798 . . . . 72.519999999999996 111.866 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.5 mt -61.54 -38.75 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.499 -0.773 . . . . 74.329999999999998 111.056 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 83.9 t90 -58.12 -56.38 22.73 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.663 0.385 . . . . 74.109999999999999 110.569 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -51.67 -39.79 58.88 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.685 0.794 . . . . 62.039999999999999 112.623 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -63.19 -49.43 74.29 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.201 0.6 . . . . 73.430000000000007 111.502 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -64.36 -41.58 96.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.208 0.603 . . . . 71.540000000000006 111.969 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 59' ' ' THR . 17.5 mmm180 -62.35 -40.61 96.95 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 119.456 -0.307 . . . . 75.0 111.588 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.502 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 69.8 mtp85 -62.34 -39.76 94.16 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.484 0.49 . . . . 72.239999999999995 111.117 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HA ' ' HB2' ' A' ' 62' ' ' LYS . 84.8 t80 -63.16 -29.36 70.73 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.733 0.813 . . . . 74.150000000000006 111.214 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -86.55 -22.72 26.15 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.745 0.818 . . . . 73.099999999999994 112.374 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 55' ' ' ARG . 72.0 p -77.29 176.2 9.02 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 122.019 -0.426 . . . . 64.430000000000007 111.754 -178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 60' ' ' LYS . 2.1 mmmp? -67.58 -33.15 74.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.019 0.527 . . . . 74.239999999999995 112.242 -176.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -103.43 114.52 28.86 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.075 0.55 . . . . 74.349999999999994 109.767 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -143.13 -177.95 5.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.024 0.93 . . . . 71.219999999999999 111.646 -172.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -67.86 170.08 8.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.738 0.815 . . . . 74.239999999999995 111.674 170.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.05 -25.23 67.55 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.705 0.802 . . . . 74.420000000000002 112.909 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 t 66.13 35.77 5.99 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.308 1.043 . . . . 72.230000000000004 110.557 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.1 p -79.6 11.52 3.07 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.765 0.826 . . . . 55.549999999999997 112.759 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.72 90.06 2.3 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.59 0.756 . . . . 75.25 109.677 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -89.95 148.74 22.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.684 0.794 . . . . 75.129999999999995 112.288 -172.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.383 0 CA-C-O 121.361 0.423 . . . . 62.219999999999999 113.223 179.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 110.777 -0.082 . . . . 74.019999999999996 110.777 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.66 -41.12 0.39 Allowed Glycine 0 N--CA 1.474 1.216 0 O-C-N 122.987 0.179 . . . . 73.310000000000002 113.015 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -77.21 115.89 17.37 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.199 0.6 . . . . 73.120000000000005 111.708 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -97.2 177.95 5.4 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.63 0.772 . . . . 74.109999999999999 110.668 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -149.42 117.22 6.25 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.384 0.674 . . . . 73.040000000000006 110.35 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -78.8 135.36 37.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.808 0.443 . . . . 74.209999999999994 110.9 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -79.86 -63.48 1.4 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.198 0.599 . . . . 71.430000000000007 110.514 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -100.58 71.98 1.54 Allowed 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.299 0.571 . . . . 73.439999999999998 110.489 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 t -88.21 -41.95 12.62 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.732 -0.667 . . . . 74.5 110.7 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -67.95 124.71 24.11 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.875 0.87 . . . . 75.230000000000004 111.402 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.31 153.67 22.01 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.278 0.631 . . . . 72.150000000000006 111.243 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -63.53 145.56 55.42 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.023 0.529 . . . . 64.530000000000001 110.73 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -56.46 -43.73 79.83 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.513 0.725 . . . . 75.219999999999999 111.408 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -67.77 -35.65 79.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.648 0.779 . . . . 74.430000000000007 111.338 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.63 -43.03 95.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.42 1.088 . . . . 72.120000000000005 111.7 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' HA ' HD11 ' A' ' 19' ' ' LEU . 91.2 t -58.67 -38.64 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.005 0.922 . . . . 75.519999999999996 111.447 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 70.8 mt -55.19 -48.5 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.323 0.649 . . . . 73.530000000000001 111.324 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.384 0.674 . . . . 74.219999999999999 112.725 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD21 HD23 ' A' ' 37' ' ' LEU . 56.6 mt -57.11 -43.41 82.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.211 0.604 . . . . 73.310000000000002 110.969 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -67.92 -39.67 83.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.85 0.86 . . . . 74.400000000000006 112.245 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 43.1 mtp-105 -64.21 -37.67 88.29 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.828 0.451 . . . . 73.030000000000001 111.42 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.553 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.4 tptm -71.89 -44.1 64.3 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.059 -0.519 . . . . 71.140000000000001 110.36 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.62 -45.16 94.12 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.52 1.128 . . . . 73.430000000000007 112.7 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -66.65 -29.32 69.31 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.771 0.828 . . . . 74.129999999999995 112.054 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -88.81 -31.17 18.47 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.621 . . . . 74.230000000000004 111.602 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -148.32 122.61 9.62 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.055 0.931 . . . . 72.040000000000006 110.804 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.3 mmtp -82.72 -19.46 37.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.134 0.974 . . . . 74.439999999999998 112.807 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -118.07 132.58 56.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.994 0.918 . . . . 74.109999999999999 110.426 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 34' ' ' ARG . 96.1 mt -99.06 130.46 45.39 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.866 0.866 . . . . 74.530000000000001 110.139 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.7 m -77.52 167.35 21.79 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.047 -0.723 . . . . 71.230000000000004 109.047 168.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB1' ' HD3' ' A' ' 32' ' ' PRO . . . -53.0 -48.03 93.4 Favored Pre-proline 0 CA--C 1.57 1.749 0 N-CA-C 112.947 0.721 . . . . 75.340000000000003 112.947 -178.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD3' ' HB1' ' A' ' 31' ' ' ALA . 31.7 Cg_exo -63.23 -43.8 17.31 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 121.599 1.533 . . . . 75.319999999999993 113.72 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -60.27 -44.7 95.09 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.986 0.914 . . . . 73.420000000000002 113.145 -175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 56.8 ttp180 -68.11 -37.23 80.91 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.815 -1.084 . . . . 75.230000000000004 110.86 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.04 90.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.675 0.79 . . . . 55.219999999999999 111.567 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.23 -51.08 71.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.4 0.68 . . . . 73.519999999999996 110.918 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.0 tp -63.94 -41.42 97.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.513 0.325 . . . . 74.340000000000003 111.664 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.34 77.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.572 0.749 . . . . 75.310000000000002 112.087 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.25 -35.94 78.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.377 0.51 . . . . 74.519999999999996 112.377 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.21 -30.83 71.87 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.277 0.631 . . . . 73.340000000000003 112.085 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.77 5.34 28.55 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.405 0.682 . . . . 74.25 112.528 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 60.03 20.43 9.57 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.001 0.921 . . . . 74.430000000000007 113.16 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.7 177.53 6.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.64 1.176 . . . . 72.349999999999994 110.952 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -102.75 151.68 22.12 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.866 -0.79 . . . . 72.519999999999996 108.866 171.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 43.9 mt-10 -56.49 -27.26 56.7 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.088 0.555 . . . . 73.510000000000005 112.492 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.0 m -61.24 -59.17 5.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.466 0.706 . . . . 75.040000000000006 110.601 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.57 -46.64 77.17 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.988 0.915 . . . . 75.439999999999998 112.112 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.11 -45.84 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.826 0.85 . . . . 75.329999999999998 112.082 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 3.5 ttpm? -66.49 -40.79 89.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.448 0.299 . . . . 71.120000000000005 111.221 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.66 -41.31 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.45 0.7 . . . . 74.420000000000002 110.909 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -57.64 -57.32 13.21 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.355 0.662 . . . . 75.25 110.455 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.6 m-85 -52.61 -48.69 66.14 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.707 0.803 . . . . 74.420000000000002 111.828 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.93 -43.46 86.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.771 1.228 . . . . 73.340000000000003 112.384 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.55 -49.18 72.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.775 0.83 . . . . 75.109999999999999 111.644 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -35.43 75.65 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 112.639 0.607 . . . . 71.430000000000007 112.639 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 27' ' ' LYS . 36.2 mtp85 -67.23 -42.45 84.01 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.015 0.436 . . . . 75.400000000000006 110.717 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.03 -24.97 62.46 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.353 -0.84 . . . . 72.409999999999997 111.375 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -87.3 -22.3 25.22 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.043 0.757 . . . . 64.299999999999997 113.043 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 t -96.32 140.15 31.41 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.099 0.409 . . . . 73.430000000000007 110.173 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -67.6 -23.73 65.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.193 0.597 . . . . 73.510000000000005 111.013 173.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -71.26 85.73 0.79 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.515 0.726 . . . . 74.239999999999995 111.2 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -91.14 155.12 18.86 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.087 -0.961 . . . . 73.200000000000003 111.116 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -103.76 19.25 20.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.018 0.527 . . . . 74.540000000000006 111.677 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 tp -124.54 -52.2 1.71 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.271 0.628 . . . . 74.010000000000005 110.223 175.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.4 t -146.92 102.9 3.57 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.556 0.743 . . . . 74.150000000000006 110.399 174.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 t -129.83 -169.62 2.15 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.162 0.585 . . . . 73.430000000000007 110.895 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 60.97 34.62 19.34 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.491 1.117 . . . . 73.349999999999994 111.078 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.0 mt -75.08 139.16 42.61 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.286 -0.87 . . . . 75.420000000000002 110.646 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 114.988 0.755 . . . . 61.5 114.988 -173.216 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.512 0.196 . . . . 64.129999999999995 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.9 96.81 0.33 Allowed Glycine 0 C--N 1.35 1.35 0 CA-C-N 116.359 -0.382 . . . . 75.340000000000003 112.518 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -72.32 88.36 1.17 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.099 0.56 . . . . 75.519999999999996 111.302 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -95.26 115.32 27.27 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.382 0.611 . . . . 62.509999999999998 111.387 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -129.46 111.47 12.81 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.111 0.965 . . . . 72.239999999999995 109.771 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.473 ' HB3' HD22 ' A' ' 54' ' ' ASN . 35.0 m170 -81.11 117.33 21.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.323 -0.621 . . . . 53.450000000000003 109.323 171.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -69.86 115.16 8.76 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.619 0.368 . . . . 72.310000000000002 111.319 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -69.01 92.98 0.54 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.296 0.638 . . . . 73.340000000000003 110.71 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 t -69.83 106.23 3.06 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.601 -0.727 . . . . 75.340000000000003 110.305 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -63.45 130.67 45.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.045 0.538 . . . . 74.209999999999994 110.352 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.4 mtt -146.12 153.71 40.99 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.775 0.83 . . . . 73.510000000000005 109.926 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -84.7 154.62 22.35 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 109.338 -0.616 . . . . 75.409999999999997 109.338 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' ILE . 67.2 t60 -58.51 -42.73 88.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.666 0.387 . . . . 74.430000000000007 111.897 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 69.0 m -61.67 -40.36 94.67 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.357 0.663 . . . . 74.129999999999995 111.112 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.6 tt0 -64.88 -42.2 95.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.184 0.994 . . . . 73.219999999999999 111.478 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 19' ' ' LEU . 58.2 t -62.09 -38.87 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.131 0.572 . . . . 72.540000000000006 110.69 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 76.6 mt -58.78 -46.93 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.899 0.48 . . . . 74.140000000000001 111.017 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 14' ' ' THR . 18.3 mm-40 -59.79 -43.37 94.46 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.588 0.755 . . . . 74.310000000000002 111.573 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD21 HD21 ' A' ' 37' ' ' LEU . 30.4 mt -61.33 -38.05 85.51 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.928 0.891 . . . . 71.109999999999999 111.369 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.65 -30.82 63.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.654 0.782 . . . . 62.409999999999997 112.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 90.4 mtt-85 -61.09 -42.07 97.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.117 0.567 . . . . 74.25 109.607 172.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HG2' HD23 ' A' ' 37' ' ' LEU . 10.7 tppt? -68.94 -42.68 76.4 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.283 -0.871 . . . . 71.239999999999995 111.411 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.91 -32.86 69.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.672 1.189 . . . . 75.120000000000005 111.144 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.3 m -63.02 -35.67 80.99 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.552 0.741 . . . . 72.150000000000006 112.382 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -78.31 -47.56 17.51 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 118.256 0.48 . . . . 73.209999999999994 111.195 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -156.66 146.13 20.63 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.649 0.738 . . . . 72.209999999999994 111.84 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 66.4 mmtt -83.18 -21.02 33.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.255 1.022 . . . . 71.219999999999999 113.468 -170.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -140.04 128.21 22.41 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.743 0.817 . . . . 72.450000000000003 109.336 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' HG2' ' A' ' 22' ' ' LYS . 95.6 mt -86.1 157.78 19.96 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.14 0.793 . . . . 74.409999999999997 113.14 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.0 m -79.26 161.17 26.5 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.961 -1.018 . . . . 74.450000000000003 109.844 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.91 -44.37 96.37 Favored Pre-proline 0 CA--C 1.573 1.834 0 N-CA-C 113.946 1.091 . . . . 72.049999999999997 113.946 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.5 -56.15 1.7 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 122.154 1.903 . . . . 74.310000000000002 114.19 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.45 -19.71 60.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.581 0.956 . . . . 72.329999999999998 113.581 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -74.58 -42.54 58.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.649 0.78 . . . . 74.129999999999995 109.735 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.56 74.73 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.354 1.062 . . . . 74.120000000000005 111.36 173.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -62.14 -49.17 76.95 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.914 1.285 . . . . 74.310000000000002 110.734 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD23 ' HG2' ' A' ' 22' ' ' LYS . 47.8 tp -71.39 -35.21 70.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.596 0.359 . . . . 75.409999999999997 110.994 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -54.42 46.57 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.699 0.799 . . . . 54.119999999999997 112.4 178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -61.67 -36.45 80.88 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.131 0.573 . . . . 72.140000000000001 112.469 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.99 -40.49 95.04 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.455 0.702 . . . . 43.32 111.739 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' HB3' HE21 ' A' ' 15' ' ' GLN . 94.0 mt -101.66 8.03 41.82 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.309 0.644 . . . . 74.430000000000007 111.907 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 23.27 9.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.681 1.192 . . . . 74.319999999999993 113.799 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.25 175.76 8.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.446 1.098 . . . . 75.430000000000007 110.768 172.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -110.06 166.8 10.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.565 0.746 . . . . 62.399999999999999 109.226 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.02 -19.34 64.27 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.006 0.372 . . . . 74.109999999999999 112.006 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.0 m -70.24 -54.28 13.43 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.447 0.699 . . . . 74.129999999999995 110.063 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.96 -47.13 87.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.976 0.91 . . . . 74.310000000000002 112.329 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.94 -50.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.176 0 C-N-CA 123.566 0.746 . . . . 75.409999999999997 110.966 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 6.7 ttpm? -58.64 -46.08 87.9 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.205 0.602 . . . . 75.310000000000002 112.517 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.37 -40.13 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.105 0.562 . . . . 74.209999999999994 110.836 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -59.95 -54.39 46.65 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.167 0.44 . . . . 75.510000000000005 110.946 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 46.7 m-85 -61.02 -32.83 72.42 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.909 0.707 . . . . 73.329999999999998 112.909 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.83 -58.39 4.66 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.22 1.008 . . . . 73.340000000000003 111.837 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 7.4 m-20 -62.96 -41.52 99.55 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.295 1.038 . . . . 73.239999999999995 112.057 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -53.83 -44.24 70.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.99 0.916 . . . . 73.310000000000002 111.838 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 41.3 mtp180 -63.92 -38.12 89.91 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 123.684 0.615 . . . . 73.010000000000005 111.449 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -66.44 -27.49 67.86 Favored 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 123.58 0.752 . . . . 73.530000000000001 111.891 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 54' ' ' ASN . 29.0 mmtp -79.7 -33.02 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.942 0.497 . . . . 75.510000000000005 111.493 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.7 t -109.05 -176.26 2.99 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.125 0.57 . . . . 73.420000000000002 110.607 -173.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -58.7 136.71 57.77 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.489 0.716 . . . . 74.439999999999998 111.43 171.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -143.57 89.99 2.12 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.984 0.514 . . . . 64.209999999999994 111.518 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.549 ' HB2' ' HZ3' ' A' ' 62' ' ' LYS . 5.0 ttmp? -64.19 -37.03 85.99 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.75 0.82 . . . . 74.430000000000007 110.977 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -79.89 164.04 23.86 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.007 0.923 . . . . 72.25 109.986 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.4 61.09 5.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.278 1.037 . . . . 75.420000000000002 111.161 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -84.75 102.31 12.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.832 1.253 . . . . 73.329999999999998 112.167 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.0 m 54.46 42.09 31.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.842 0.857 . . . . 61.210000000000001 110.803 -172.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.05 142.93 57.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.948 0.899 . . . . 75.239999999999995 111.708 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.28 127.72 33.7 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.497 0.719 . . . . 75.25 111.626 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.904 0 CA-C-N 115.778 -0.646 . . . . 74.450000000000003 112.833 -179.071 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 110.108 -0.33 . . . . 71.439999999999998 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.89 87.2 0.06 OUTLIER Glycine 0 CA--C 1.544 1.878 0 N-CA-C 114.668 0.627 . . . . 62.210000000000001 114.668 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -135.23 -71.15 0.48 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.203 1.001 . . . . 75.409999999999997 110.105 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 58.85 19.21 6.78 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.671 1.188 . . . . 74.209999999999994 112.268 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -73.91 110.34 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.228 0.537 . . . . 73.349999999999994 111.636 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -109.74 177.11 4.83 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.163 0.985 . . . . 73.420000000000002 110.015 170.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -75.47 129.15 36.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.78 0.432 . . . . 74.439999999999998 111.085 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -63.69 -29.24 70.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.865 0.866 . . . . 73.140000000000001 111.72 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -76.24 73.97 3.05 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.235 0.614 . . . . 72.349999999999994 111.005 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -154.01 174.7 14.32 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.371 1.468 . . . . 74.129999999999995 110.043 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.57 ' HE3' HD12 ' A' ' 43' ' ' LEU . 57.2 mtt -76.31 130.22 37.8 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.772 0.429 . . . . 73.099999999999994 111.082 -176.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -98.85 166.04 11.49 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.705 0.802 . . . . 62.229999999999997 110.748 -174.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -48.33 -51.89 24.09 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.333 1.053 . . . . 73.450000000000003 113.569 -172.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.4 m -62.51 -41.25 98.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.685 0.794 . . . . 64.150000000000006 111.428 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.23 -40.6 90.39 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.14 0.976 . . . . 74.420000000000002 111.635 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.66 -37.75 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.982 0.913 . . . . 75.150000000000006 110.947 175.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.35 -40.83 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 122.642 0.377 . . . . 74.099999999999994 111.099 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.89 -40.72 91.8 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.857 0.463 . . . . 64.450000000000003 111.78 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.72 -44.66 96.34 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.847 0.859 . . . . 73.049999999999997 110.92 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -63.84 -37.2 86.51 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.105 0.962 . . . . 74.409999999999997 111.751 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.89 -50.58 73.23 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.527 0.731 . . . . 75.310000000000002 110.239 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG3' HD22 ' A' ' 29' ' ' LEU . 52.0 tptt -66.7 -37.14 84.11 Favored 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.377 0.671 . . . . 74.409999999999997 111.515 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.89 -40.96 87.91 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.768 1.227 . . . . 75.430000000000007 112.525 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -70.32 -25.04 63.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.518 0.727 . . . . 75.409999999999997 112.231 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -82.07 -50.65 8.84 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.93 0.395 . . . . 74.430000000000007 111.123 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -140.76 133.17 28.39 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.615 0.766 . . . . 63.140000000000001 110.769 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 45.3 mmtm -78.46 -19.04 53.96 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.113 0.965 . . . . 75.409999999999997 113.421 -173.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.45 123.6 20.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.875 0.87 . . . . 75.040000000000006 109.928 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 22' ' ' LYS . 21.6 mt -93.0 135.13 34.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.314 0.487 . . . . 74.150000000000006 112.314 -177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -75.03 166.67 23.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.403 -0.591 . . . . 75.219999999999999 109.403 167.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.68 -44.99 78.74 Favored Pre-proline 0 CA--C 1.573 1.844 0 N-CA-C 114.683 1.364 . . . . 63.140000000000001 114.683 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.64 -43.11 22.7 Favored 'Trans proline' 0 C--N 1.39 2.712 0 C-N-CA 121.885 1.724 . . . . 75.040000000000006 113.421 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.18 -38.07 78.5 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.613 0.765 . . . . 65.329999999999998 111.4 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -71.73 -43.38 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.048 1.339 . . . . 73.420000000000002 110.706 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.23 91.13 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.916 0.886 . . . . 52.130000000000003 111.811 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.7 -50.88 70.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.936 0.895 . . . . 73.400000000000006 111.051 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD22 ' HG2' ' A' ' 22' ' ' LYS . 26.3 tp -68.65 -35.23 76.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.451 0.301 . . . . 74.409999999999997 110.753 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 -59.3 5.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.498 0.719 . . . . 51.43 111.741 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -63.93 -37.37 87.16 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.858 0.688 . . . . 72.329999999999998 112.858 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.63 -32.28 73.76 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.455 0.702 . . . . 71.019999999999996 111.945 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.64 3.01 45.02 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.531 0.732 . . . . 74.319999999999993 111.851 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 57.99 20.43 6.78 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.348 1.059 . . . . 75.420000000000002 112.938 -177.427 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.57 HD12 ' HE3' ' A' ' 11' ' ' MET . 75.8 mt -88.06 179.97 6.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.976 1.31 . . . . 64.239999999999995 109.882 171.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 p -108.19 161.58 14.85 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.896 0.478 . . . . 74.319999999999993 110.285 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.9 -32.88 68.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.072 0.549 . . . . 74.400000000000006 112.12 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 m -70.53 -41.52 72.42 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.874 0.47 . . . . 74.239999999999995 110.961 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.08 -47.59 83.97 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.22 0.608 . . . . 73.230000000000004 112.005 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.11 -39.46 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 C-N-CA 123.776 0.83 . . . . 72.420000000000002 111.417 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -58.98 -51.54 69.63 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.207 0.603 . . . . 73.120000000000005 111.373 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.83 -37.27 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.025 0.93 . . . . 74.299999999999997 111.529 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.98 -55.87 27.83 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.732 0.413 . . . . 73.439999999999998 110.437 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 14.2 m-85 -55.39 -44.76 76.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.496 0.719 . . . . 75.400000000000006 111.991 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.82 -50.74 69.7 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.596 1.158 . . . . 74.239999999999995 112.033 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.59 -43.2 81.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.908 0.883 . . . . 75.310000000000002 111.856 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.502 HH21 ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.31 -29.88 71.12 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 122.809 0.444 . . . . 75.420000000000002 111.693 175.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.594 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 23.8 mmm180 -67.99 -26.18 65.78 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.595 0.634 . . . . 74.430000000000007 111.979 171.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -85.28 -28.97 24.96 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.129 0.972 . . . . 62.119999999999997 110.833 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HG3' HH21 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -89.45 -27.51 20.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.206 1.002 . . . . 75.420000000000002 113.202 -177.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 p -76.45 -170.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 122.95 0.5 . . . . 73.329999999999998 111.392 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -54.08 97.72 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.491 0.716 . . . . 72.439999999999998 111.299 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -74.64 -30.82 61.77 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.238 -0.892 . . . . 74.540000000000006 111.65 -172.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -64.59 119.94 11.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.119 0.568 . . . . 75.209999999999994 111.347 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.24 -42.59 83.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.953 0.901 . . . . 73.109999999999999 112.073 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.47 -28.75 68.58 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.107 0.963 . . . . 75.219999999999999 112.114 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -79.74 72.67 6.45 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.625 0.77 . . . . 74.420000000000002 111.885 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 t 60.48 104.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.205 1.402 . . . . 55.340000000000003 114.07 173.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.89 140.89 20.26 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.165 0.586 . . . . 75.420000000000002 110.373 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -59.65 125.36 23.33 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.308 1.043 . . . . 73.519999999999996 112.764 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.312 0 CA-C-O 121.774 0.652 . . . . 75.439999999999998 112.702 179.436 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.383 0.135 . . . . 65.340000000000003 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.65 130.53 1.16 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-N 116.408 -0.36 . . . . 74.25 113.46 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -165.63 129.13 2.2 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.305 1.042 . . . . 70.219999999999999 110.54 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -132.59 90.44 2.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.097 0.559 . . . . 73.540000000000006 109.732 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -123.96 129.2 50.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.769 0.828 . . . . 73.219999999999999 109.832 174.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -141.99 134.93 28.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.748 0.419 . . . . 64.420000000000002 110.201 173.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.08 167.81 18.48 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.882 0.873 . . . . 72.010000000000005 112.427 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.3 127.27 22.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.997 0.919 . . . . 73.299999999999997 109.441 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -70.21 83.79 0.54 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.883 0.473 . . . . 74.030000000000001 110.105 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -78.26 163.79 25.44 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.312 0.645 . . . . 74.420000000000002 111.857 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 19' ' ' LEU . 52.1 mtt -73.69 165.52 24.94 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.718 0.807 . . . . 74.319999999999993 112.123 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.3 t -81.76 156.68 24.84 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.416 0.686 . . . . 74.349999999999994 110.22 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -60.97 -43.06 99.35 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.223 0.609 . . . . 72.219999999999999 111.038 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -64.69 -37.47 87.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.583 0.753 . . . . 74.219999999999999 110.664 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.2 -38.05 84.68 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.306 1.042 . . . . 74.299999999999997 112.023 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 19' ' ' LEU . 96.1 t -66.35 -36.61 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.817 0.447 . . . . 70.219999999999999 110.599 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 89.9 mt -59.08 -45.0 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.824 0.45 . . . . 71.099999999999994 110.441 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.53 -48.68 80.06 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.123 0.969 . . . . 75.299999999999997 111.817 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' SD ' ' A' ' 11' ' ' MET . 37.6 mt -56.49 -40.69 75.36 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.907 0.883 . . . . 72.0 111.541 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 50.0 mt-10 -73.19 -27.81 61.85 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.032 0.933 . . . . 74.230000000000004 112.082 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 99.7 mtt180 -64.13 -33.89 76.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.132 0.573 . . . . 74.409999999999997 110.493 173.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.77 -38.62 32.75 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.536 0.734 . . . . 72.109999999999999 111.104 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 48.8 t80 -63.8 -32.72 74.32 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.87 1.268 . . . . 74.329999999999998 111.475 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -57.09 -36.17 70.29 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.5 1.12 . . . . 75.329999999999998 112.445 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -82.49 -45.14 15.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.906 0.482 . . . . 75.010000000000005 111.478 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.64 135.71 18.87 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.319 0.58 . . . . 75.030000000000001 111.487 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -74.08 -18.91 60.76 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.644 0.979 . . . . 74.519999999999996 113.644 -174.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -152.1 158.61 43.22 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.297 1.039 . . . . 65.409999999999997 109.563 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.77 156.69 20.71 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.384 0.512 . . . . 71.239999999999995 112.384 -171.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.5 m -82.37 168.76 17.2 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.886 -0.783 . . . . 61.329999999999998 108.886 165.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.62 99.06 Favored Pre-proline 0 CA--C 1.573 1.83 0 N-CA-C 113.99 1.107 . . . . 62.119999999999997 113.99 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.02 -50.73 10.56 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 122.411 2.074 . . . . 74.439999999999998 113.748 171.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -65.05 -35.24 80.55 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.383 0.673 . . . . 65.129999999999995 111.915 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.45 -46.71 69.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.281 1.032 . . . . 75.140000000000001 111.044 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.46 89.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.893 0.877 . . . . 74.239999999999995 111.782 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -62.38 -44.75 95.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.048 0.939 . . . . 74.349999999999994 111.381 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 19' ' ' LEU . 32.5 tp -69.16 -42.17 76.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.82 0.448 . . . . 73.299999999999997 110.834 178.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.73 66.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.671 0.788 . . . . 60.509999999999998 112.449 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.64 -33.26 75.53 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.24 0.459 . . . . 74.310000000000002 112.24 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.58 -44.09 83.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.029 0.532 . . . . 75.040000000000006 111.725 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.4 mt -98.21 9.13 43.68 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.081 0.552 . . . . 74.129999999999995 112.209 -174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 60.45 24.75 14.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.112 0.965 . . . . 74.450000000000003 112.935 179.248 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.96 178.31 5.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.556 1.142 . . . . 73.120000000000005 110.773 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -107.58 166.15 10.89 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.07 -0.715 . . . . 74.519999999999996 109.07 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.61 -27.63 69.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.771 0.428 . . . . 62.030000000000001 111.691 175.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.8 m -63.84 -55.73 20.68 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.336 0.654 . . . . 72.310000000000002 110.08 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.52 -46.36 83.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.42 1.088 . . . . 74.319999999999993 113.179 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.29 -49.31 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.423 0.689 . . . . 74.200000000000003 111.37 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.69 -40.42 87.8 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.291 0.636 . . . . 74.099999999999994 111.66 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.02 -51.23 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.682 0.793 . . . . 74.340000000000003 111.13 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -60.82 -52.93 62.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.264 -0.398 . . . . 72.519999999999996 111.087 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -58.39 -33.54 69.74 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.801 0.667 . . . . 73.319999999999993 112.801 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.98 -60.13 2.58 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 122.485 0.314 . . . . 71.519999999999996 111.271 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 38.6 m-80 -63.18 -33.02 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.159 0.8 . . . . 74.150000000000006 113.159 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.36 -39.85 94.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.149 0.58 . . . . 75.140000000000001 112.406 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -63.35 -30.48 71.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 73.329999999999998 111.205 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -77.4 -27.84 52.52 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.924 0.89 . . . . 65.530000000000001 111.582 173.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 54' ' ' ASN . 75.1 mmtt -79.75 -25.06 41.17 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.659 0.783 . . . . 61.039999999999999 111.699 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p -85.61 174.89 9.1 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.419 0.688 . . . . 73.040000000000006 109.614 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -79.92 26.94 0.32 Allowed 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 121.709 0.766 . . . . 63.140000000000001 112.321 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -97.92 -47.13 5.66 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.287 -0.883 . . . . 72.400000000000006 111.017 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -128.32 100.24 5.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.072 -0.714 . . . . 74.310000000000002 109.072 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -109.72 170.64 7.93 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.981 0.512 . . . . 72.230000000000004 110.96 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.7 tp -128.14 72.91 1.44 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.631 0.729 . . . . 73.409999999999997 109.96 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 t -84.27 80.24 9.27 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.676 -0.693 . . . . 65.329999999999998 111.108 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -102.35 133.66 46.92 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.674 0.79 . . . . 64.099999999999994 110.839 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -81.22 93.3 6.47 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.796 -0.446 . . . . 74.219999999999999 109.796 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 tp -170.63 134.35 1.07 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.615 0.766 . . . . 71.140000000000001 110.369 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.246 0 CA-C-O 121.339 0.411 . . . . 55.210000000000001 113.24 179.155 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 110.002 -0.37 . . . . 75.209999999999994 110.002 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.09 62.69 4.6 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 113.798 0.279 . . . . 72.5 113.798 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -167.5 170.83 10.92 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.431 1.092 . . . . 73.019999999999996 110.229 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -154.66 177.99 10.61 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.594 0.757 . . . . 71.310000000000002 111.769 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -75.22 139.48 42.63 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.47 0.708 . . . . 74.420000000000002 110.709 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -73.08 106.64 5.03 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.104 0.478 . . . . 75.25 110.622 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -75.03 88.27 2.38 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 121.539 0.685 . . . . 75.409999999999997 110.493 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -69.25 79.49 0.36 Allowed 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 114.767 -1.106 . . . . 74.25 110.751 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -174.99 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.169 0.987 . . . . 75.329999999999998 109.206 -172.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -103.09 -170.45 1.79 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.143 -0.935 . . . . 74.030000000000001 110.679 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.5 mpt? -65.08 156.82 30.27 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 123.449 0.7 . . . . 72.019999999999996 111.896 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -92.3 160.45 15.13 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 118.714 -0.66 . . . . 74.319999999999993 109.762 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -48.78 -58.36 4.92 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.973 1.101 . . . . 75.340000000000003 113.973 -169.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 32.9 m -61.83 -41.37 97.71 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.879 0.471 . . . . 72.049999999999997 110.91 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.1 -45.07 94.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.412 1.085 . . . . 75.049999999999997 111.952 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.17 -41.19 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.034 0.934 . . . . 73.439999999999998 110.7 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.2 mt -62.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.193 0.597 . . . . 75.430000000000007 111.217 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.8 mm-40 -62.6 -41.91 99.26 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.449 0.642 . . . . 75.310000000000002 110.704 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.88 -36.26 83.8 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 114.778 -1.101 . . . . 61.299999999999997 110.983 173.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.99 -33.98 75.67 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.915 0.886 . . . . 64.519999999999996 112.886 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 66.8 mtt-85 -57.02 -52.77 63.93 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.558 0.694 . . . . 71.430000000000007 109.852 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HG2' HD22 ' A' ' 37' ' ' LEU . 53.3 tptt -64.14 -40.07 95.37 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.249 -1.342 . . . . 71.319999999999993 111.324 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.02 -39.36 90.16 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.467 1.107 . . . . 74.540000000000006 111.846 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -63.51 -32.66 74.17 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.196 0.999 . . . . 75.510000000000005 112.096 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -79.56 -47.26 15.82 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.177 0.513 . . . . 74.209999999999994 111.086 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -148.44 136.62 21.11 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.73 0.812 . . . . 73.510000000000005 111.482 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -79.9 -45.25 18.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.956 0.902 . . . . 74.439999999999998 110.728 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.87 132.18 37.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.183 0.993 . . . . 63.210000000000001 110.559 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.23 143.82 34.9 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.862 0.465 . . . . 73.219999999999999 111.49 175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -79.34 159.86 26.99 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.257 -0.646 . . . . 74.530000000000001 109.257 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.98 -46.63 99.74 Favored Pre-proline 0 CA--C 1.576 1.957 0 N-CA-C 113.62 0.97 . . . . 73.319999999999993 113.62 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.84 -46.76 12.62 Favored 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.012 1.808 . . . . 75.299999999999997 113.179 174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.68 -45.38 85.7 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.254 0.622 . . . . 74.109999999999999 112.124 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -68.3 -38.05 81.24 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.361 -0.836 . . . . 72.209999999999994 111.809 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.8 87.43 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.495 0.718 . . . . 72.420000000000002 111.657 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -64.86 -43.28 93.51 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.13 0.572 . . . . 71.129999999999995 111.466 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' A' ' 22' ' ' LYS . 37.3 tp -64.41 -36.7 85.0 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.256 0.622 . . . . 74.439999999999998 111.256 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.38 46.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.153 0.981 . . . . 74.239999999999995 111.514 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.96 -30.6 71.19 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.435 0.532 . . . . 74.140000000000001 112.435 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.01 -29.83 70.96 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 74.200000000000003 112.118 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.52 12.98 21.37 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.967 0.729 . . . . 75.510000000000005 112.967 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 59.44 14.43 3.81 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 113.338 0.866 . . . . 75.409999999999997 113.338 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.32 177.5 7.8 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.934 0.894 . . . . 63.240000000000002 111.068 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -107.14 162.33 13.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.139 0.576 . . . . 74.409999999999997 109.529 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.48 -26.67 65.45 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.156 0.583 . . . . 74.150000000000006 111.192 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -72.76 -47.36 47.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.108 0.563 . . . . 75.510000000000005 110.958 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.64 -44.54 93.47 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.228 0.611 . . . . 75.219999999999999 111.466 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.45 -41.89 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 123.206 0.603 . . . . 72.310000000000002 111.222 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -44.17 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.242 0.617 . . . . 73.209999999999994 111.198 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.99 -48.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.716 0.806 . . . . 74.450000000000003 110.612 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.06 -57.95 9.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.55 0.74 . . . . 75.319999999999993 110.044 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -59.0 -33.97 71.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.723 0.809 . . . . 74.409999999999997 112.895 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.16 -49.26 52.31 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.244 0.475 . . . . 72.530000000000001 111.949 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -60.52 -39.43 87.8 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.043 0.537 . . . . 74.120000000000005 111.869 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.56 ' NH2' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -67.87 -36.1 79.69 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.095 0.558 . . . . 73.010000000000005 112.001 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -70.56 -31.06 67.95 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 120.836 0.351 . . . . 74.400000000000006 110.334 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -75.28 -26.44 58.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.349 0.66 . . . . 73.349999999999994 110.779 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HD2' ' NH2' ' A' ' 55' ' ' ARG . 35.2 mttp -91.66 -4.88 54.67 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.459 0.911 . . . . 75.129999999999995 113.459 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -62.06 161.35 11.0 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 118.603 0.638 . . . . 73.540000000000006 110.607 169.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -51.34 123.23 9.22 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.361 0.665 . . . . 71.129999999999995 112.425 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB2' ' NE2' ' A' ' 63' ' ' GLN . 60.5 mtp180 -129.59 151.48 50.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.821 0.848 . . . . 73.0 111.249 -176.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.32 93.98 1.56 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.615 0.766 . . . . 74.150000000000006 109.442 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 61' ' ' ARG . 25.2 pt20 -156.19 -172.71 4.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.18 0.992 . . . . 74.519999999999996 109.893 -177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -75.06 -59.95 2.51 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.268 -0.642 . . . . 72.150000000000006 109.268 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 m -113.89 101.8 9.6 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.771 0.828 . . . . 71.420000000000002 110.329 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -75.05 86.78 2.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.243 0.544 . . . . 72.150000000000006 110.711 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.79 113.56 11.08 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.262 -0.881 . . . . 72.519999999999996 111.683 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -73.62 171.6 12.94 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.687 0.795 . . . . 74.209999999999994 113.14 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.659 0 N-CA-C 114.217 0.447 . . . . 70.140000000000001 114.217 -177.61 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 110.024 -0.361 . . . . 73.340000000000003 110.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.78 66.46 3.58 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-N 116.554 -0.294 . . . . 73.140000000000001 113.524 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -115.79 65.01 0.69 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.733 0.813 . . . . 64.409999999999997 110.024 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -142.57 94.89 2.7 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.871 0.868 . . . . 73.329999999999998 110.182 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -78.24 -58.49 3.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.977 -0.556 . . . . 74.439999999999998 111.731 -172.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 62.58 88.91 0.09 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.405 1.082 . . . . 73.109999999999999 111.041 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -60.8 119.64 8.58 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.991 0.738 . . . . 71.450000000000003 112.991 -174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -149.5 2.86 0.55 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.119 0.967 . . . . 74.349999999999994 111.344 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -60.55 96.96 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.257 0.623 . . . . 74.129999999999995 111.186 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.01 -23.25 67.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.117 0.967 . . . . 74.430000000000007 111.496 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.411 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.7 mpt? -64.29 147.75 51.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.435 1.094 . . . . 63.439999999999998 112.276 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.2 t -82.96 166.05 19.18 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.616 0.767 . . . . 73.319999999999993 110.352 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -52.84 -57.75 9.19 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 123.809 0.844 . . . . 71.219999999999999 112.524 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -63.4 -35.66 81.13 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.813 0.845 . . . . 72.040000000000006 111.552 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.29 -38.33 87.5 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.414 1.085 . . . . 75.120000000000005 111.81 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 12' ' ' SER . 91.5 t -62.89 -43.14 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.269 0.627 . . . . 72.430000000000007 110.571 171.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.46 -42.09 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 C-N-CA 123.448 0.699 . . . . 73.430000000000007 111.221 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -63.67 -43.43 96.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.668 0.787 . . . . 75.040000000000006 111.983 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 37' ' ' LEU . 47.8 mt -63.52 -35.15 79.51 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 123.347 0.659 . . . . 72.030000000000001 111.218 173.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.84 -37.65 76.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.929 0.891 . . . . 63.109999999999999 111.804 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -60.32 -42.43 95.6 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.543 0.737 . . . . 74.25 111.032 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.537 ' HG2' HD22 ' A' ' 37' ' ' LEU . 51.1 tptt -73.66 -41.35 62.83 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.612 -0.722 . . . . 73.109999999999999 111.181 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.91 -38.75 92.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.655 0.782 . . . . 73.420000000000002 111.852 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -60.21 -24.97 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.62 0.768 . . . . 72.25 112.167 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -91.1 -40.25 11.71 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.014 0.526 . . . . 74.099999999999994 111.431 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.24 135.84 19.45 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.993 0.738 . . . . 72.140000000000001 112.993 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.77 -41.15 62.83 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.249 1.02 . . . . 73.239999999999995 111.668 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -113.82 138.39 50.34 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.231 1.012 . . . . 71.219999999999999 109.56 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.14 146.31 26.27 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.986 0.514 . . . . 73.109999999999999 111.718 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -71.66 161.51 30.88 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.486 -0.561 . . . . 71.219999999999999 109.486 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -45.06 99.54 Favored Pre-proline 0 CA--C 1.565 1.54 0 CA-C-O 118.495 -0.764 . . . . 74.340000000000003 112.918 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.52 -50.69 6.36 Favored 'Trans proline' 0 C--N 1.391 2.802 0 C-N-CA 121.519 1.479 . . . . 73.299999999999997 113.016 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.16 -33.72 76.44 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.428 0.899 . . . . 73.319999999999993 113.428 -172.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -74.49 -42.11 59.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.904 0.482 . . . . 73.420000000000002 110.888 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.27 89.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.78 0.832 . . . . 71.439999999999998 111.816 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.88 -48.53 65.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.489 0.716 . . . . 74.140000000000001 110.808 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD22 ' HG2' ' A' ' 22' ' ' LYS . 54.6 tp -62.45 -36.16 81.55 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.071 0.548 . . . . 75.430000000000007 110.962 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.59 72.38 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.54 -0.754 . . . . 74.299999999999997 111.341 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.21 -27.2 61.48 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.806 0.669 . . . . 74.439999999999998 112.806 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.77 -35.01 78.45 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.369 0.668 . . . . 74.239999999999995 111.157 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.7 mt -110.52 5.89 21.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.822 0.849 . . . . 74.209999999999994 112.258 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 56.81 25.78 10.74 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.243 1.017 . . . . 74.319999999999993 112.857 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.59 176.5 6.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.952 1.301 . . . . 73.510000000000005 111.167 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -101.4 147.74 25.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.173 0.589 . . . . 71.140000000000001 109.509 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.94 -29.29 59.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.649 0.78 . . . . 73.109999999999999 112.347 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 -56.1 18.71 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.547 0.739 . . . . 74.319999999999993 110.788 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.83 -39.07 90.52 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.579 0.585 . . . . 74.109999999999999 112.579 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.13 -44.92 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.103 0.561 . . . . 72.219999999999999 110.783 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -62.43 -39.81 94.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.787 0.835 . . . . 75.010000000000005 111.923 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 85.8 mt -68.15 -42.01 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.854 0.862 . . . . 73.230000000000004 111.354 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -59.59 -54.65 44.01 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.461 -0.57 . . . . 75.120000000000005 109.461 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 12.7 m-85 -56.76 -32.15 65.31 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.786 0.835 . . . . 74.319999999999993 112.218 174.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 42.3 tt0 -60.25 -54.67 43.06 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.579 0.752 . . . . 72.049999999999997 111.752 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -62.45 -40.02 95.25 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.003 -0.544 . . . . 72.25 112.072 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.78 -28.97 66.19 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 112.597 0.592 . . . . 73.099999999999994 112.597 177.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 46.1 mtm105 -70.87 -33.85 71.03 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.283 0.492 . . . . 71.400000000000006 110.308 171.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -69.23 -24.86 64.07 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.055 0.942 . . . . 72.239999999999995 111.067 170.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 27.5 mtpp -79.49 -23.88 42.69 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.095 0.558 . . . . 74.239999999999995 111.446 174.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.6 p -96.18 155.33 16.8 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.943 0.497 . . . . 74.349999999999994 110.128 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt 71.16 0.85 3.58 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.12 1.368 . . . . 74.25 111.311 -168.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -78.05 113.25 15.8 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.392 1.077 . . . . 75.209999999999994 109.052 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.55 88.61 0.5 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 121.5 0.667 . . . . 71.430000000000007 111.641 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -104.28 -23.04 13.27 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.427 1.091 . . . . 72.200000000000003 109.708 171.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.34 81.33 1.42 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.985 1.314 . . . . 74.430000000000007 107.591 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.6 m -63.23 161.74 13.21 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.137 -0.938 . . . . 72.299999999999997 111.814 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -58.79 101.03 0.08 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.959 0.903 . . . . 62.340000000000003 110.722 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.89 158.28 34.88 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.722 0.809 . . . . 71.340000000000003 112.922 -169.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.87 93.88 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.062 0.945 . . . . 72.040000000000006 111.91 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.116 0 CA-C-O 121.684 0.602 . . . . 74.450000000000003 113.57 -178.827 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.988 -0.375 . . . . 60.02 109.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -57.96 -44.08 86.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.439 0.695 . . . . 74.13 111.789 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 m -68.28 -34.51 76.3 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.527 0.731 . . . . 70.3 111.622 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.66 -38.5 86.97 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.934 0.894 . . . . 65.45 111.35 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.59 ' HA ' HD12 ' A' ' 19' ' ' LEU . 93.6 t -66.66 -33.5 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.168 0.587 . . . . 71.12 110.971 175.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.27 -42.89 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 122.428 0.291 . . . . 64.52 110.73 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.53 -40.82 96.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.533 0.733 . . . . 63.35 112.073 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 16' ' ' VAL . 67.9 mt -59.04 -41.87 88.86 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.657 -0.701 . . . . 63.5 110.762 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.29 -28.26 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.984 0.914 . . . . 71.13 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.2 -38.37 81.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.238 0.615 . . . . 74.33 110.556 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.551 ' HG2' HD22 ' A' ' 37' ' ' LEU . 17.9 tptp -69.73 -42.28 74.18 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.794 -0.639 . . . . 73.43 110.27 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.6 -44.21 94.68 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.85 1.26 . . . . 75.42 111.761 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -56.03 -41.04 74.36 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.027 0.931 . . . . 54.14 112.195 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -79.76 -44.73 20.15 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.396 0.678 . . . . 75.14 111.599 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 33' ' ' GLU . 20.9 pt20 -142.28 128.17 19.45 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.568 0.699 . . . . 75.32 110.409 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -79.85 -26.72 40.27 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.638 0.775 . . . . 60.41 112.387 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -116.7 127.0 53.99 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.676 0.79 . . . . 64.32 110.129 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.26 133.48 45.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.75 0.42 . . . . 60.15 110.189 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.3 m -84.43 176.85 8.4 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.674 -0.861 . . . . 71.04 108.674 165.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.11 82.57 Favored Pre-proline 0 CA--C 1.577 1.981 0 N-CA-C 114.274 1.213 . . . . 74.02 114.274 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.81 -52.72 4.74 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.18 1.92 . . . . 54.15 114.343 174.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HG2' HE22 ' A' ' 26' ' ' GLN . 1.8 mp0 -65.1 -34.68 78.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.177 0.591 . . . . 61.33 111.784 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 57.6 ttp180 -72.2 -44.65 62.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.536 1.134 . . . . 74.31 111.375 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.68 -38.35 77.01 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.799 0.84 . . . . 72.1 111.748 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 81.1 t60 -62.63 -50.2 72.19 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.864 0.866 . . . . 74.3 111.386 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.8 tp -66.2 -35.94 81.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.776 0.431 . . . . 70.3 110.682 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.47 2.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.439 0.696 . . . . 43.35 111.434 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 64.5 pttt -62.95 -33.82 76.19 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.167 0.587 . . . . 72.44 112.575 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.5 -36.96 84.18 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.274 0.63 . . . . 64.34 112.098 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.48 5.11 41.79 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.113 0.565 . . . . 53.55 111.45 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 62.36 12.94 5.63 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 125.27 1.428 . . . . 54.45 113.632 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.13 177.53 7.76 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.397 1.079 . . . . 60.14 111.339 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.1 p -105.23 156.23 18.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.147 0.579 . . . . 70.02 109.707 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.14 -37.85 62.18 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.17 0.588 . . . . 74.11 111.575 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.2 m -57.34 -57.6 11.91 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.497 0.719 . . . . 72.31 111.686 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -56.43 -45.39 80.79 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.846 0.858 . . . . 64.44 112.483 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.17 -40.28 88.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-N 115.528 -0.76 . . . . 71.13 111.055 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 27.7 ttpp -68.57 -37.74 80.15 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.579 0.752 . . . . 73.42 111.236 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 87.7 mt -62.83 -44.66 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.753 0.821 . . . . 75.43 109.79 174.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 77.6 t90 -61.31 -57.94 10.27 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.964 0.506 . . . . 74.35 110.948 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -58.63 -33.21 69.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.249 0.62 . . . . 61.54 112.534 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.08 -55.35 35.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.942 0.497 . . . . 72.24 110.662 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.09 -44.73 96.92 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.286 -0.87 . . . . 73.42 112.186 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 15.3 mmm-85 -65.13 -33.39 75.9 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.054 0.542 . . . . 73.31 112.408 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 122.703 0.401 . . . . 63.14 110.812 175.202 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.491 ' N ' HE21 ' A' ' 15' ' ' GLN . 46.0 m . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 119.571 -0.252 . . . . 60.13 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -54.85 -57.04 13.2 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.643 0.777 . . . . 72.43 111.44 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.501 ' HA ' HD12 ' A' ' 17' ' ' ILE . 22.3 m -64.09 -33.86 76.73 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.084 0.954 . . . . 64.22 111.865 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.491 HE21 ' N ' ' A' ' 12' ' ' SER . 10.3 tt0 -65.31 -47.26 77.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.966 0.907 . . . . 70.34 111.969 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.09 -37.41 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.322 0.649 . . . . 71.51 111.192 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 14' ' ' THR . 84.8 mt -56.85 -50.55 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.448 0.699 . . . . 74.21 111.475 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 14' ' ' THR . 8.1 mm-40 -61.66 -41.48 97.58 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.58 0.752 . . . . 72.23 111.891 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 37' ' ' LEU . 70.1 mt -62.1 -40.64 96.55 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 115.047 -0.978 . . . . 73.23 111.359 173.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.17 -29.23 61.68 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.577 0.751 . . . . 73.55 112.595 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 74.0 mtp180 -62.45 -48.03 81.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.506 0.723 . . . . 71.32 110.631 172.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.2 tptt -69.73 -37.51 76.52 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.803 -1.09 . . . . 53.41 111.154 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 70.4 t80 -70.82 -36.83 73.12 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.021 0.928 . . . . 70.5 112.483 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -63.44 -38.39 90.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.528 0.731 . . . . 51.34 111.21 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.51 -36.89 57.5 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.43 -0.805 . . . . 73.21 111.048 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.34 132.68 11.92 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-O 121.638 0.732 . . . . 54.5 111.726 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -75.97 -33.6 59.78 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.054 0.941 . . . . 63.22 111.286 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.46 124.42 52.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.314 1.046 . . . . 72.45 110.151 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.13 152.06 21.3 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.045 0.45 . . . . 72.11 111.299 172.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -88.8 162.19 16.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.209 -0.663 . . . . 72.23 109.209 164.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.81 95.79 Favored Pre-proline 0 CA--C 1.575 1.941 0 N-CA-C 113.887 1.069 . . . . 72.12 113.887 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.41 -40.23 59.63 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.083 1.856 . . . . 72.0 113.517 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.04 -37.58 75.62 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.52 0.728 . . . . 63.51 112.057 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 57.7 ttp180 -69.54 -39.54 77.42 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.751 0.82 . . . . 64.04 110.753 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.95 82.01 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.844 0.858 . . . . 75.53 111.978 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.57 -47.48 85.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.784 0.834 . . . . 52.23 111.635 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 22' ' ' LYS . 46.5 tp -68.02 -40.24 82.98 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.545 0.738 . . . . 74.32 110.976 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.41 68.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.51 0.724 . . . . 71.01 112.641 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -37.72 88.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.99 0.516 . . . . 64.34 112.3 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.6 -36.17 79.95 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.297 0.639 . . . . 62.3 111.745 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -103.57 6.88 37.56 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.832 0.853 . . . . 72.34 112.616 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 58.6 22.64 10.02 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.761 1.225 . . . . 73.31 113.243 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.58 177.84 6.95 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.133 0.973 . . . . 65.44 110.385 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.2 p -106.54 160.43 15.43 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.094 -0.706 . . . . 72.51 109.094 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.36 -23.68 62.75 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.99 0.516 . . . . 73.24 111.634 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.1 m -63.87 -60.58 3.1 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.548 0.739 . . . . 63.42 110.422 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -61.45 -39.99 92.87 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.109 0.964 . . . . 73.41 112.295 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.37 -47.14 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.461 0.704 . . . . 74.44 111.177 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 7.4 ttpm? -65.22 -35.2 80.31 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 111.798 0.295 . . . . 70.13 111.798 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.22 -51.97 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.436 0.694 . . . . 61.34 109.87 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -55.41 -53.96 49.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.873 0.869 . . . . 72.5 110.432 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.83 -40.53 84.47 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.991 0.916 . . . . 74.41 112.759 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.11 -46.72 85.98 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.437 0.695 . . . . 74.31 111.719 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -79.28 -22.82 44.13 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.508 0.558 . . . . 75.03 112.508 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.63 -33.29 73.77 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.272 0.229 . . . . 73.2 111.253 168.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 121.307 0.575 . . . . 75.31 109.873 170.425 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.57 ' N ' HE21 ' A' ' 15' ' ' GLN . 19.7 m . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.232 -0.285 . . . . 62.52 110.232 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.61 -61.33 2.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.414 0.686 . . . . 73.51 112.438 -173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.442 ' HA ' HD12 ' A' ' 17' ' ' ILE . 87.7 m -66.36 -30.58 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.384 0.674 . . . . 74.21 111.861 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.57 HE21 ' N ' ' A' ' 12' ' ' SER . 10.2 tt0 -62.03 -43.33 99.08 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.298 0.639 . . . . 64.13 111.481 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 19' ' ' LEU . 79.3 t -64.85 -38.89 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.617 0.767 . . . . 71.2 111.192 173.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.4 mt -55.69 -45.74 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 122.745 0.418 . . . . 72.4 110.593 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.39 -44.82 95.55 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.711 0.804 . . . . 71.53 111.762 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 HD21 ' A' ' 37' ' ' LEU . 48.9 mt -58.22 -40.3 81.27 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.561 0.744 . . . . 71.01 111.436 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.03 -35.22 76.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.099 0.96 . . . . 72.32 111.569 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 56.8 mtp180 -63.83 -34.04 77.02 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.26 0.624 . . . . 63.34 111.38 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.5 tptt -80.82 -41.96 22.44 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.764 0.426 . . . . 72.03 110.82 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -64.01 -41.17 97.56 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.215 1.006 . . . . 74.42 112.049 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.7 p -63.67 -30.88 71.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.553 0.741 . . . . 73.51 112.356 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -83.26 -38.3 22.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.734 0.414 . . . . 61.4 111.262 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -150.72 132.18 14.71 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.256 0.622 . . . . 61.2 111.312 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -83.06 -25.3 32.22 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.374 0.67 . . . . 72.44 111.21 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -118.55 121.64 40.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.353 1.061 . . . . 64.44 109.948 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 34' ' ' ARG . 97.1 mt -96.49 141.25 30.0 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.241 0.616 . . . . 61.14 111.202 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -87.41 174.74 8.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.323 0.649 . . . . 74.52 109.697 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.99 98.37 Favored Pre-proline 0 CA--C 1.574 1.867 0 N-CA-C 114.317 1.228 . . . . 73.32 114.317 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.75 -46.47 13.76 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.902 1.735 . . . . 74.3 113.637 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.23 -40.72 86.38 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.897 0.879 . . . . 73.14 112.414 -173.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 48.5 ttp180 -69.18 -41.57 77.0 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.886 0.874 . . . . 64.51 111.447 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.17 74.73 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.419 0.687 . . . . 51.25 111.85 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -61.29 -44.62 96.92 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.74 0.816 . . . . 64.25 110.438 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD22 ' HG2' ' A' ' 22' ' ' LYS . 29.2 tp -71.62 -36.02 70.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.156 0.582 . . . . 71.31 111.188 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -51.47 69.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.465 0.706 . . . . 60.12 112.013 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -69.57 -34.91 74.83 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.44 0.533 . . . . 74.35 112.44 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.05 -37.07 85.75 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.203 0.601 . . . . 73.32 111.631 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 15' ' ' GLN . 95.6 mt -104.57 2.62 30.96 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.185 0.809 . . . . 71.34 113.185 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt 61.69 17.83 9.04 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.904 0.882 . . . . 74.13 113.082 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.88 179.93 7.63 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.252 1.021 . . . . 74.22 110.476 173.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -102.96 158.33 16.36 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.129 -0.693 . . . . 73.32 109.129 168.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.32 -33.6 63.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.16 0.584 . . . . 72.42 112.033 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -60.8 -50.99 71.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.764 0.825 . . . . 74.43 111.652 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -59.9 -48.52 81.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.478 0.711 . . . . 72.33 112.016 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.6 -46.52 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 C-N-CA 123.741 0.816 . . . . 75.25 111.785 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 86.3 tttt -58.49 -50.59 73.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.92 0.888 . . . . 74.23 112.36 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.92 -35.53 75.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.101 0.96 . . . . 75.23 111.475 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -60.25 -53.66 54.99 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.637 0.375 . . . . 75.32 110.329 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.75 -42.25 78.99 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.769 0.828 . . . . 73.43 112.335 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.35 -44.79 90.36 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.77 0.828 . . . . 64.43 111.863 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.71 -33.64 68.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.467 0.707 . . . . 73.51 111.567 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -38.07 89.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.693 0.397 . . . . 64.51 111.153 172.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.038 0.535 . . . . 73.23 110.601 172.425 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.45 ' N ' HE21 ' A' ' 15' ' ' GLN . 46.7 t . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 118.746 -0.645 . . . . 63.5 109.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -50.97 -58.47 5.95 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.059 0.763 . . . . 72.43 113.059 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 96.4 m -63.39 -33.71 76.15 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.113 0.565 . . . . 73.43 111.485 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 12' ' ' SER . 9.4 tt0 -67.53 -41.25 84.68 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.321 1.048 . . . . 71.22 112.037 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' SER . 61.7 t -60.29 -44.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.299 0.64 . . . . 70.23 109.814 172.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.5 mt -59.89 -39.31 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.596 0.758 . . . . 73.42 111.342 176.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' THR . 22.9 mm-40 -62.63 -45.57 92.23 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.456 0.702 . . . . 74.11 111.228 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.5 mt -59.18 -38.19 79.22 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.619 0.768 . . . . 62.15 111.168 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.78 -30.36 67.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.907 0.883 . . . . 72.34 111.778 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.4 mtp180 -67.26 -34.74 78.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.002 0.521 . . . . 65.22 111.046 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -75.89 -42.59 48.67 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.18 0.514 . . . . 65.32 110.66 173.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 87.6 t80 -61.42 -37.2 82.63 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.99 1.316 . . . . 72.23 111.922 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.2 p -63.9 -44.11 93.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.586 0.755 . . . . 60.2 112.508 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.65 -37.3 68.01 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 111.576 0.213 . . . . 73.52 111.576 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -149.9 133.0 16.27 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.438 0.637 . . . . 70.32 111.154 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -79.58 -37.11 37.07 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.739 0.816 . . . . 74.51 111.385 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.87 123.73 49.52 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.263 1.025 . . . . 72.13 109.293 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.87 148.31 22.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 75.34 111.025 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -89.5 174.73 7.62 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.602 -0.888 . . . . 60.1 108.602 164.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.76 -48.17 94.33 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 113.199 0.815 . . . . 60.12 113.199 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.91 -44.46 24.99 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.493 1.462 . . . . 25.2 113.991 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 118.895 0.771 . . . . 72.3 112.311 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -67.26 -42.12 84.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.315 0.646 . . . . 64.11 111.774 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.72 77.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.343 0.657 . . . . 73.54 112.17 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -57.97 -50.56 72.95 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.86 0.464 . . . . 75.04 111.331 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.1 tp -59.38 -40.91 88.06 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.804 0.842 . . . . 74.11 111.722 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.47 12.73 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.602 0.761 . . . . 74.22 111.859 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.18 -31.49 71.07 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 113.268 0.84 . . . . 75.02 113.268 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.17 -34.06 75.71 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.074 0.549 . . . . 73.45 111.934 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.4 mt -107.62 3.8 25.21 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.597 0.759 . . . . 64.01 112.618 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 59.22 26.73 15.58 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 124.733 1.213 . . . . 64.41 113.585 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -87.61 178.59 6.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.526 1.13 . . . . 62.13 110.688 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -107.2 155.65 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.092 -0.706 . . . . 65.4 109.092 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.76 -26.4 65.66 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.558 0.577 . . . . 63.42 112.558 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -66.35 -49.43 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.944 0.498 . . . . 71.31 110.587 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.61 -43.2 99.39 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.461 0.704 . . . . 63.03 111.606 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.71 -37.29 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.439 0.696 . . . . 63.24 111.496 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.5 -50.0 69.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.399 0.68 . . . . 72.34 111.37 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.15 -38.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.869 0.867 . . . . 74.13 111.066 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.466 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 62.7 t90 -60.63 -58.84 6.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.289 0.636 . . . . 64.02 110.225 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.8 -32.62 65.88 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.105 0.78 . . . . 74.43 113.105 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.58 -51.77 57.2 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 122.838 0.455 . . . . 51.51 111.153 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.74 -43.38 94.27 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.634 0.774 . . . . 71.52 111.442 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -58.52 -50.08 75.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.831 0.853 . . . . 72.5 112.614 179.105 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.693 178.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.38 -0.343 . . . . 74.21 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.42 -57.08 13.37 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.992 0.917 . . . . 74.41 112.524 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -63.72 -34.52 78.05 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.738 0.815 . . . . 55.33 111.815 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.44 -43.48 90.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.137 0.975 . . . . 65.55 111.83 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.57 -37.17 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.649 0.78 . . . . 61.21 110.593 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.6 mt -54.74 -46.92 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 122.979 0.511 . . . . 74.4 111.137 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -64.98 -42.68 94.33 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.397 0.679 . . . . 53.13 112.342 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.24 -36.93 85.3 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.817 0.847 . . . . 74.34 111.221 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.48 -41.9 88.28 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.66 1.184 . . . . 72.42 111.406 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 82.5 mtp180 -56.53 -47.26 79.75 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.66 0.784 . . . . 71.24 111.017 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 57.6 tptt -66.58 -41.82 87.95 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.455 -0.793 . . . . 75.5 111.362 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.88 -36.77 84.34 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.758 0.823 . . . . 73.43 111.93 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -65.86 -34.06 77.27 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.745 0.818 . . . . 71.53 112.837 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -82.92 -32.75 27.07 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.003 0.365 . . . . 72.55 111.423 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -157.63 134.21 9.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.099 0.559 . . . . 73.54 111.306 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -77.25 -47.26 20.6 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.959 0.504 . . . . 44.44 110.961 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -97.96 135.81 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.033 0.933 . . . . 73.44 110.529 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.34 154.87 17.85 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.168 0.509 . . . . 71.24 111.609 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.9 m -89.34 164.9 14.7 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.846 -0.798 . . . . 62.53 108.846 165.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.63 98.32 Favored Pre-proline 0 CA--C 1.572 1.817 0 N-CA-C 113.026 0.75 . . . . 73.14 113.026 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.83 -41.79 43.09 Favored 'Trans proline' 0 C--N 1.391 2.809 0 C-N-CA 122.032 1.822 . . . . 73.42 113.409 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.09 -42.11 97.04 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.357 0.663 . . . . 70.12 112.087 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -67.98 -40.94 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.384 0.674 . . . . 73.51 111.79 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.93 97.41 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.249 0.619 . . . . 63.21 111.73 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.75 -47.72 79.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.711 0.804 . . . . 70.24 111.517 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 41.9 tp -64.61 -37.94 89.3 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.641 0.776 . . . . 64.31 110.874 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.75 -55.62 28.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.973 0.909 . . . . 65.35 112.029 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -63.26 -39.49 94.74 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.631 0.604 . . . . 74.14 112.631 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.36 -38.29 90.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.383 0.673 . . . . 74.1 112.058 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.99 1.45 56.26 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.342 0.657 . . . . 75.53 111.922 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 62.79 17.7 10.1 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.751 1.22 . . . . 71.14 113.603 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.0 mt -82.89 -179.12 7.35 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.064 0.945 . . . . 71.5 110.45 171.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -113.25 167.44 10.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.407 0.683 . . . . 71.25 110.006 170.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.14 -24.32 66.19 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.753 0.421 . . . . 61.4 111.932 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.5 m -67.17 -55.26 14.89 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.107 0.563 . . . . 63.34 110.069 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.64 -53.85 53.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.188 0.995 . . . . 73.34 112.45 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -40.05 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 C-N-CA 123.271 0.628 . . . . 74.12 112.053 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -60.21 -50.45 73.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.661 0.384 . . . . 73.51 110.955 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.82 -40.13 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.541 0.736 . . . . 63.42 111.375 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -60.42 -59.77 4.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.096 0.558 . . . . 74.42 111.386 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.88 -34.55 71.77 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.278 0.631 . . . . 74.23 112.648 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.45 -48.56 79.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.92 0.888 . . . . 74.43 110.806 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.38 -45.35 93.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.894 0.878 . . . . 51.4 111.395 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -35.71 72.6 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.966 0.728 . . . . 74.12 112.966 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.897 0.38 . . . . 75.11 111.315 175.036 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.787 -0.449 . . . . 55.53 109.787 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.419 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.9 t60 -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.717 0.407 . . . . 72.44 110.675 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.7 m -64.3 -38.17 90.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.334 0.654 . . . . 53.54 110.76 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.38 -47.35 85.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.752 0.821 . . . . 71.43 111.252 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.49 -39.77 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-N 116.061 -0.518 . . . . 74.33 111.046 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 13' ' ' HIS . 79.6 mt -59.02 -46.12 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 122.941 0.496 . . . . 41.34 111.084 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.4 -43.25 99.19 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.523 0.729 . . . . 73.41 111.609 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -41.92 94.3 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 123.851 0.86 . . . . 64.2 111.39 173.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.01 -35.87 77.15 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.132 0.973 . . . . 63.12 112.104 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.96 -38.34 82.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.409 0.684 . . . . 62.23 110.655 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 37' ' ' LEU . 16.1 tppt? -73.2 -45.18 57.78 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.131 0.573 . . . . 63.44 110.962 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.82 -37.43 79.17 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.473 1.109 . . . . 72.12 111.656 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -61.89 -39.06 90.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.232 1.013 . . . . 73.33 112.579 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.11 -34.17 20.7 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.038 0.535 . . . . 73.34 111.798 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' HD23 ' A' ' 29' ' ' LEU . 19.7 pt20 -152.06 133.31 14.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.717 0.807 . . . . 72.03 110.846 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB3' HH11 ' A' ' 56' ' ' ARG . 46.8 mmtm -86.14 -20.22 28.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.74 0.816 . . . . 73.22 112.007 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -123.49 129.02 50.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.808 0.843 . . . . 64.33 110.576 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ARG . 85.8 mt -99.2 137.18 38.08 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.572 0.749 . . . . 72.03 110.991 174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 m -74.41 162.09 29.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.99 -0.744 . . . . 74.33 108.99 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.68 -45.79 98.57 Favored Pre-proline 0 CA--C 1.575 1.936 0 N-CA-C 113.929 1.085 . . . . 63.24 113.929 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -59.75 -45.37 25.41 Favored 'Trans proline' 0 C--N 1.39 2.737 0 C-N-CA 122.022 1.814 . . . . 52.13 113.725 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.47 -38.95 85.19 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.37 0.668 . . . . 70.32 111.876 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' A' ' 29' ' ' LEU . 47.7 ttp180 -69.36 -40.8 77.26 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.048 0.939 . . . . 72.25 111.304 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.76 90.6 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.532 0.733 . . . . 74.52 111.577 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.61 -39.52 91.63 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.997 0.919 . . . . 75.05 111.386 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.1 tp -74.75 -42.56 58.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.934 0.493 . . . . 74.12 110.94 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.8 90.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.599 0.76 . . . . 63.33 112.383 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -65.95 -33.09 75.02 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.73 0.641 . . . . 73.24 112.73 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -61.72 -36.74 81.81 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.023 0.529 . . . . 54.14 111.419 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.26 11.77 23.42 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.524 0.73 . . . . 62.23 112.025 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 55.7 17.44 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 114.304 1.224 . . . . 74.12 114.304 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.6 175.35 10.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.882 0.873 . . . . 70.44 110.402 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -102.21 157.33 16.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.877 -0.786 . . . . 62.44 108.877 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.83 -39.8 62.79 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 112.937 0.718 . . . . 74.33 112.937 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -65.67 -43.22 89.98 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.875 0.47 . . . . 73.13 111.732 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -57.3 -48.51 78.76 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.21 0.604 . . . . 75.3 111.761 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.92 -49.54 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.646 0.778 . . . . 71.33 111.735 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.13 80.89 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.435 0.694 . . . . 72.45 111.891 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.97 -34.36 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 118.922 -0.561 . . . . 54.15 110.711 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.5 t90 -56.25 -55.34 34.5 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.227 0.467 . . . . 72.43 109.777 172.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -49.66 -44.31 47.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.836 0.855 . . . . 63.12 111.856 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.69 -39.98 95.69 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 123.545 0.738 . . . . 74.45 112.151 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -64.15 -42.83 96.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.581 0.752 . . . . 65.33 110.433 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 12.0 mmm180 -69.43 -29.84 67.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.208 1.003 . . . . 74.32 112.54 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' A' ' 27' ' ' LYS . 66.2 mtp85 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.099 0.476 . . . . 71.32 110.796 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 t . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 110.175 -0.305 . . . . 53.11 110.175 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -56.68 -56.57 19.81 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 113.08 0.77 . . . . 75.43 113.08 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.8 m -65.49 -30.55 71.34 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 122.984 0.514 . . . . 54.12 111.773 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -66.33 -42.37 88.27 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.295 0.638 . . . . 73.31 111.293 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 12' ' ' SER . 98.3 t -60.95 -40.99 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.55 0.74 . . . . 42.12 109.992 172.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' THR . 78.6 mt -55.52 -49.57 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.412 0.685 . . . . 74.23 111.263 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.03 -41.03 99.43 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.557 0.743 . . . . 73.14 112.179 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 37' ' ' LEU . 76.6 mt -63.01 -39.95 96.31 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.398 -0.819 . . . . 75.41 111.275 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -68.79 -36.15 77.92 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.007 0.923 . . . . 73.44 111.624 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.04 -51.32 69.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.444 0.698 . . . . 63.15 110.319 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.557 ' HG2' HD22 ' A' ' 37' ' ' LEU . 55.0 tptt -61.89 -40.27 94.84 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 123.332 0.653 . . . . 53.25 111.129 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.29 -36.28 81.63 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.724 1.209 . . . . 74.04 111.013 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -63.42 -44.64 94.02 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.489 0.716 . . . . 75.22 111.901 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -77.08 -31.78 56.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.31 0.244 . . . . 74.43 111.177 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.41 136.05 10.34 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.432 0.693 . . . . 74.22 111.288 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -84.5 -32.0 24.19 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.006 0.922 . . . . 74.42 111.299 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.48 121.57 44.9 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.881 0.872 . . . . 72.33 110.587 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.47 139.27 32.0 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.167 0.587 . . . . 64.15 110.476 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -78.76 171.88 14.53 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.428 -0.582 . . . . 72.01 109.428 169.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.36 99.15 Favored Pre-proline 0 CA--C 1.573 1.827 0 N-CA-C 113.678 0.992 . . . . 64.31 113.678 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.12 -33.09 26.03 Favored 'Trans proline' 0 C--N 1.388 2.652 0 CA-C-N 121.209 1.467 . . . . 73.4 113.09 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.77 -43.18 59.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.821 0.848 . . . . 62.22 112.016 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.47 -40.29 89.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.645 0.778 . . . . 74.24 110.885 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.19 88.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.375 0.67 . . . . 53.34 111.631 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -65.61 -42.57 91.44 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.122 0.569 . . . . 73.23 111.208 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HG2' ' A' ' 22' ' ' LYS . 58.7 tp -65.9 -43.05 89.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.565 0.746 . . . . 75.53 110.878 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.76 30.69 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.655 0.782 . . . . 40.13 112.247 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.23 83.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.492 0.553 . . . . 73.55 112.492 -174.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.65 -35.09 79.39 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.303 0.641 . . . . 74.51 112.087 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -98.63 10.05 41.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.602 0.761 . . . . 62.44 111.566 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 60.38 12.97 3.73 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.912 1.285 . . . . 74.31 113.498 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.86 177.85 7.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.493 1.117 . . . . 71.35 111.656 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -107.47 156.84 18.53 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.615 0.766 . . . . 73.13 109.613 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.09 -29.52 65.52 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.174 0.59 . . . . 73.22 112.401 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -63.38 -56.47 16.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.248 0.619 . . . . 63.43 110.481 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.5 -44.46 96.32 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.469 0.707 . . . . 74.45 112.656 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -42.78 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.036 0.534 . . . . 62.4 110.971 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.07 -38.49 91.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.069 0.548 . . . . 74.25 111.752 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.28 -48.61 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.326 0.651 . . . . 74.33 110.564 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 86.5 t90 -58.49 -51.56 69.34 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.112 0.565 . . . . 74.03 110.54 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.03 -42.25 76.21 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.606 0.762 . . . . 64.11 111.968 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.44 -49.02 73.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.69 0.796 . . . . 73.12 111.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.6 -40.64 95.55 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.402 0.681 . . . . 65.22 110.89 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -63.88 -35.32 80.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.593 0.757 . . . . 75.3 111.562 178.409 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 . . . . . 0 CA--C 1.555 1.15 0 C-N-CA 124.302 1.041 . . . . 74.14 111.161 174.058 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.981 -0.533 . . . . 74.43 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -50.18 -59.54 3.83 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.5 0.72 . . . . 75.33 112.493 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -67.32 -30.41 70.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.792 0.437 . . . . 74.04 111.927 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -63.63 -43.67 96.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.992 0.517 . . . . 73.22 111.371 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.14 -37.75 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 119.044 -0.503 . . . . 74.03 110.292 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 45.3 mm -54.82 -49.6 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 122.628 0.371 . . . . 71.34 110.452 175.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 17.1 mm-40 -64.12 -43.52 95.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.901 0.881 . . . . 71.55 112.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.01 -40.7 90.19 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.695 0.798 . . . . 74.05 111.336 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.94 -33.66 70.72 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.659 1.184 . . . . 63.12 111.655 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 81.1 mtp180 -58.29 -48.0 81.86 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.487 0.715 . . . . 72.54 110.897 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.3 tptm -74.7 -34.67 62.65 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.314 -0.857 . . . . 73.23 111.595 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.59 -40.25 88.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.476 0.71 . . . . 74.43 111.033 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.5 m -71.56 -26.03 62.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.279 0.632 . . . . 72.42 111.168 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -74.1 -41.0 62.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.74 . . . . 61.24 110.618 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -162.54 135.52 5.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.478 1.111 . . . . 70.31 109.787 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.51 -24.11 36.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 75.34 111.116 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -123.0 124.52 43.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.809 0.844 . . . . 74.51 110.58 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.98 154.64 18.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.683 0.793 . . . . 75.12 110.978 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -85.76 174.99 8.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.23 0.612 . . . . 74.21 109.495 166.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.46 98.62 Favored Pre-proline 0 CA--C 1.567 1.596 0 CA-C-O 118.754 -0.641 . . . . 72.03 112.378 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.61 -48.05 12.13 Favored 'Trans proline' 0 C--N 1.389 2.671 0 C-N-CA 121.658 1.572 . . . . 72.11 113.088 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -59.6 -39.7 85.07 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.984 0.914 . . . . 72.11 113.357 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -70.36 -39.74 74.44 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.608 0.763 . . . . 53.45 110.654 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -37.95 81.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.626 0.771 . . . . 73.22 111.592 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.47 -57.12 13.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.223 0.609 . . . . 72.44 109.763 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 ' HG2' ' A' ' 22' ' ' LYS . 32.6 tp -62.36 -37.53 86.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.111 0.564 . . . . 75.12 111.711 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.35 -57.63 11.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.334 0.654 . . . . 54.3 111.322 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.65 -28.41 66.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.245 0.461 . . . . 74.44 112.245 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.89 -38.57 88.83 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.579 0.752 . . . . 63.2 111.777 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -108.9 10.9 26.33 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.63 0.772 . . . . 74.41 112.649 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.12 28.93 13.72 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.586 1.154 . . . . 72.14 113.046 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.6 174.54 7.46 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.419 1.088 . . . . 71.12 110.297 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.0 p -103.7 154.23 19.77 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.796 -0.816 . . . . 65.43 108.796 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.19 -19.63 61.82 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.747 0.419 . . . . 53.23 111.973 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -70.74 -52.7 19.16 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.612 0.765 . . . . 75.14 110.753 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -62.61 -41.31 98.92 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.746 0.818 . . . . 73.0 112.398 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.37 -39.88 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.328 0.651 . . . . 71.5 111.007 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.71 -48.65 79.82 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.505 0.722 . . . . 73.21 111.902 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.39 -46.79 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.777 0.831 . . . . 73.3 110.524 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 79.8 t90 -54.91 -59.93 4.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.524 0.73 . . . . 74.22 109.866 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.3 m-85 -49.16 -44.42 42.77 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.964 0.906 . . . . 62.44 112.584 176.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -56.26 -55.33 34.55 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.362 0.665 . . . . 74.4 112.105 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -64.21 -38.57 91.51 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.842 0.457 . . . . 73.15 111.893 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 24.4 mmm180 -65.89 -32.39 73.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.709 0.633 . . . . 70.3 112.709 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 65.2 mtt180 . . . . . 0 N--CA 1.49 1.54 0 C-N-CA 122.766 0.426 . . . . 74.43 110.37 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 110.641 -0.133 . . . . 54.34 110.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.22 -50.92 69.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.296 0.638 . . . . 72.53 111.976 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.4 m -68.74 -32.65 72.57 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.139 0.576 . . . . 75.12 111.087 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -62.85 -43.07 99.79 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.598 0.759 . . . . 71.42 111.193 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 19' ' ' LEU . 47.5 t -62.8 -35.63 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.467 0.707 . . . . 72.32 111.229 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.25 -47.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 122.787 0.435 . . . . 71.51 110.504 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.44 -43.65 84.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.419 0.688 . . . . 73.13 111.231 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.0 mt -59.36 -39.28 82.73 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 123.872 0.869 . . . . 65.54 111.053 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 44.9 mt-10 -70.28 -25.9 63.56 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.209 1.004 . . . . 73.21 112.726 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -62.51 -48.08 81.15 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 118.151 0.432 . . . . 71.14 110.993 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD22 ' A' ' 37' ' ' LEU . 49.4 tptt -69.4 -37.12 77.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.181 0.592 . . . . 72.02 110.966 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -68.94 -32.57 72.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.579 1.152 . . . . 71.54 111.267 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -61.85 -39.68 92.71 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.847 0.859 . . . . 54.34 111.586 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -73.24 -44.69 59.03 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.384 0.673 . . . . 63.1 111.029 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.19 145.51 18.05 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.417 0.627 . . . . 70.24 112.029 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.8 -22.82 25.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.362 1.065 . . . . 63.32 112.191 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -125.74 109.68 12.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.878 0.871 . . . . 71.33 110.195 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.88 145.81 25.87 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.258 0.551 . . . . 74.51 112.053 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -86.46 171.68 10.93 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.816 -0.629 . . . . 60.04 109.438 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.82 92.81 Favored Pre-proline 0 CA--C 1.577 2.003 0 N-CA-C 114.29 1.218 . . . . 62.21 114.29 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.9 -56.19 0.84 Allowed 'Trans proline' 0 C--N 1.389 2.694 0 C-N-CA 121.82 1.68 . . . . 74.15 113.7 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.71 -37.86 88.95 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.827 0.851 . . . . 60.0 112.978 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.49 -38.86 92.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.291 0.636 . . . . 64.11 111.3 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.32 73.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.566 0.746 . . . . 51.5 112.203 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -63.52 -49.2 74.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.964 0.505 . . . . 73.31 110.783 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.6 tp -64.56 -38.84 92.39 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.199 0.6 . . . . 74.11 111.22 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.35 22.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.798 0.839 . . . . 51.13 112.279 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -63.86 -35.27 80.1 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 112.818 0.673 . . . . 75.43 112.818 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -64.47 -26.61 68.51 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 112.65 0.611 . . . . 70.31 112.65 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -111.71 15.15 21.11 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 113.339 0.866 . . . . 73.23 113.339 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 56.42 19.74 4.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.237 0.828 . . . . 74.4 113.237 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -92.09 178.35 5.89 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.054 0.942 . . . . 74.31 110.439 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -114.81 166.16 12.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.315 0.646 . . . . 75.25 109.567 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.18 -27.76 69.59 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.04 0.536 . . . . 71.41 110.903 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -63.54 -55.69 21.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.636 0.774 . . . . 71.42 110.447 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.45 -49.18 78.6 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.968 0.907 . . . . 73.43 112.087 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.36 -37.75 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.692 0.797 . . . . 61.45 111.468 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -68.05 -38.84 82.95 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.426 0.291 . . . . 74.12 111.326 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.69 -49.58 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.003 0.521 . . . . 74.2 110.354 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 83.8 t90 -59.23 -54.89 41.72 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-O 119.009 -0.52 . . . . 72.22 111.111 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -57.37 -38.37 74.11 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.949 0.722 . . . . 72.14 112.949 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.84 -54.03 41.33 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.622 0.769 . . . . 75.12 111.405 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -65.11 -43.38 92.21 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.306 1.043 . . . . 73.45 111.421 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 13.6 tpt180 -62.56 -45.66 91.9 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.407 1.083 . . . . 72.44 111.159 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? . . . . . 0 CA--C 1.547 0.828 0 C-N-CA 123.449 0.7 . . . . 62.4 109.799 177.45 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 118.683 -0.675 . . . . 73.14 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.73 -48.84 74.51 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.474 0.579 . . . . 74.4 112.522 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -63.69 -39.31 94.01 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.859 0.463 . . . . 60.12 110.823 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.02 -44.21 96.59 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.291 1.036 . . . . 71.13 112.11 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.84 -42.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.632 0.773 . . . . 73.52 110.215 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 85.7 mt -59.01 -40.31 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 123.703 0.801 . . . . 64.52 111.33 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.0 mm-40 -64.57 -44.81 89.51 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.21 0.604 . . . . 72.51 110.967 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.06 -36.61 77.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.097 0.959 . . . . 73.41 111.125 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.133 0.973 . . . . 73.15 112.313 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 44.2 mtm180 -68.34 -30.81 69.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 120.729 0.3 . . . . 64.15 111.032 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -77.14 -42.05 39.36 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.288 0.635 . . . . 44.11 110.138 172.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.77 -42.07 97.85 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.783 1.233 . . . . 74.32 112.568 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -66.77 -22.04 66.04 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.966 0.906 . . . . 73.22 112.961 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -93.89 -37.22 11.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.825 0.45 . . . . 72.4 111.023 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.13 128.56 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.813 0.816 . . . . 75.43 111.404 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -81.44 -24.49 36.81 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.417 -0.811 . . . . 73.3 111.418 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -117.9 136.98 53.12 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.373 1.069 . . . . 63.05 110.919 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.87 145.4 30.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.768 0.827 . . . . 72.3 111.125 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.6 m -83.32 169.6 15.49 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.68 -0.489 . . . . 73.05 109.68 168.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.53 99.26 Favored Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 113.71 1.004 . . . . 64.45 113.71 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.62 -49.13 12.61 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 121.837 1.691 . . . . 73.5 112.96 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.48 -43.64 98.5 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.949 0.899 . . . . 53.42 112.794 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.05 -37.6 75.59 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.479 -0.782 . . . . 71.54 111.603 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.03 90.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.461 0.704 . . . . 31.12 111.864 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -64.9 -46.59 81.08 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.98 0.512 . . . . 70.1 111.98 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.0 tp -63.33 -33.86 76.45 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.807 0.443 . . . . 63.02 111.188 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.81 -57.16 8.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.401 0.681 . . . . 71.21 112.149 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.8 -40.32 96.37 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.557 0.577 . . . . 74.43 112.557 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -66.5 -33.02 74.75 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.367 0.667 . . . . 65.34 112.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.3 mt -102.14 11.82 37.73 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.298 0.639 . . . . 73.35 111.917 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mptt 59.41 16.69 5.34 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.907 1.283 . . . . 73.03 113.889 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -86.89 -179.05 6.45 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.915 0.886 . . . . 60.11 110.329 173.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -110.0 160.0 16.8 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.027 -0.731 . . . . 73.41 109.027 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.35 -34.98 64.72 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.301 0.641 . . . . 72.04 111.428 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 85.1 m -62.26 -52.23 64.57 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.434 0.694 . . . . 74.02 111.06 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.63 -44.98 95.97 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.803 0.841 . . . . 74.3 112.305 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.73 -42.8 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.431 0.692 . . . . 72.33 111.248 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.84 -42.43 97.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.068 0.547 . . . . 73.25 111.488 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 99.5 mt -62.56 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.718 0.807 . . . . 63.3 110.533 178.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -57.85 -56.86 16.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.316 0.646 . . . . 73.14 110.481 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -56.39 -38.24 71.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.879 0.872 . . . . 72.23 112.715 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.4 -54.56 30.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.501 0.72 . . . . 41.41 111.302 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.37 -40.83 95.74 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.538 0.735 . . . . 72.21 112.036 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -60.23 -44.32 95.3 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.529 0.566 . . . . 74.14 112.529 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.023 0.44 . . . . 72.33 110.817 174.332 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 119.426 -0.321 . . . . 61.44 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 84.8 t60 -60.22 -46.24 90.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.137 0.575 . . . . 70.41 111.41 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 17' ' ' ILE . 35.0 m -64.66 -34.75 79.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.473 0.709 . . . . 34.12 111.201 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.73 -41.51 83.37 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.644 0.778 . . . . 64.42 111.732 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.531 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.5 t -64.57 -33.67 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 122.999 0.519 . . . . 75.1 110.999 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.3 mt -57.28 -47.16 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 122.99 0.516 . . . . 53.23 110.197 171.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.46 -41.28 98.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.749 0.82 . . . . 75.33 112.045 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 16' ' ' VAL . 60.6 mt -59.15 -40.85 86.8 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.76 0.824 . . . . 53.23 111.093 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.54 -26.66 60.11 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.923 0.889 . . . . 64.3 112.463 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.8 mtp180 -60.85 -36.34 78.9 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.005 0.522 . . . . 52.42 110.827 171.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -83.0 -37.87 23.41 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.588 -0.733 . . . . 65.44 110.709 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.33 -37.39 85.24 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.347 1.059 . . . . 70.42 112.556 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.1 p -64.79 -29.16 70.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.583 0.753 . . . . 53.14 112.578 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -85.26 -35.84 21.29 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.923 0.489 . . . . 63.22 110.914 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -154.91 131.86 10.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.268 0.627 . . . . 70.14 110.623 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -75.61 -18.71 59.62 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.763 0.825 . . . . 74.25 112.213 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -141.2 137.69 32.82 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.004 0.922 . . . . 74.33 110.554 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -95.5 166.17 11.99 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.968 0.907 . . . . 42.35 112.159 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -89.2 163.78 15.26 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.294 -1.002 . . . . 71.43 108.294 165.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.59 99.72 Favored Pre-proline 0 CA--C 1.569 1.676 0 N-CA-C 113.199 0.814 . . . . 54.12 113.199 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.57 -42.38 55.06 Favored 'Trans proline' 0 C--N 1.393 2.873 0 C-N-CA 122.041 1.827 . . . . 75.44 113.858 172.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.65 -34.55 74.16 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 123.683 0.793 . . . . 65.35 112.297 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -65.96 -43.61 87.41 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.438 1.095 . . . . 73.34 110.655 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.14 70.5 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.363 -0.835 . . . . 74.53 111.771 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.26 -39.86 94.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.26 1.024 . . . . 74.32 110.872 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 HD23 ' A' ' 19' ' ' LEU . 26.7 tp -80.22 -37.36 33.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.337 0.655 . . . . 63.02 111.116 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -50.4 72.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 64.33 112.213 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.49 -40.68 95.43 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.664 0.616 . . . . 62.32 112.664 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -58.66 -46.11 87.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.113 0.565 . . . . 72.32 111.534 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.7 mt -96.81 7.04 47.51 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.382 -0.826 . . . . 62.25 112.36 -174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 57.75 21.99 7.99 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.461 1.104 . . . . 71.55 112.804 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.3 mt -86.13 173.8 9.59 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.97 0.908 . . . . 72.24 110.371 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -98.94 158.45 15.63 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.551 -0.907 . . . . 61.11 108.551 171.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.29 -28.99 65.5 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.64 0.257 . . . . 64.41 111.633 172.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 92.5 m -62.5 -53.4 55.31 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 123.647 0.779 . . . . 64.35 110.796 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.29 -38.98 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.69 0.796 . . . . 72.13 112.902 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.45 -44.82 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 122.75 0.42 . . . . 65.12 110.399 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.04 -42.55 90.51 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.437 0.695 . . . . 54.12 111.564 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 96.8 mt -63.83 -48.62 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.884 0.874 . . . . 74.01 111.219 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 89.2 t90 -60.34 -54.13 49.32 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.353 0.408 . . . . 74.1 110.766 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.9 m-85 -58.54 -36.59 74.11 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.57 0.544 . . . . 74.01 112.43 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.95 -51.88 54.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.747 0.819 . . . . 61.42 111.257 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.12 -42.53 85.98 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.826 0.851 . . . . 74.21 110.997 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 5.1 tpt180 -66.95 -35.99 81.23 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.259 1.024 . . . . 73.43 112.084 -174.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 52' ' ' PHE . 81.5 mtm-85 . . . . . 0 N--CA 1.481 1.087 0 C-N-CA 122.654 0.381 . . . . 64.31 110.692 173.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.9 t . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 119.406 -0.33 . . . . 72.03 110.641 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -57.33 -62.43 1.78 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.725 0.639 . . . . 73.42 112.725 -171.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -60.06 -33.29 71.85 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.765 0.826 . . . . 60.23 111.415 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.46 -44.51 86.97 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.677 1.191 . . . . 72.35 112.493 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' SER . 75.6 t -60.83 -43.84 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.319 0.648 . . . . 73.13 110.138 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 58.5 mt -60.35 -39.13 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 123.444 0.698 . . . . 52.43 110.872 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.09 -43.22 92.83 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.474 0.71 . . . . 73.32 112.212 175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.49 -40.64 92.06 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.709 0.804 . . . . 62.43 110.624 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.85 -36.42 82.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.556 1.142 . . . . 75.31 112.104 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 79.4 mtp180 -58.64 -38.59 78.44 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.382 0.673 . . . . 75.34 111.052 173.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 29' ' ' LEU . 50.3 tptt -80.8 -36.19 32.05 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 115.94 -0.573 . . . . 75.24 111.61 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -67.91 -37.34 81.57 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.066 0.946 . . . . 74.35 112.165 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -65.84 -28.51 69.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.851 0.86 . . . . 64.23 111.744 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -81.98 -42.27 19.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.931 0.492 . . . . 75.42 111.472 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -151.36 134.57 15.99 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 121.639 0.733 . . . . 62.34 111.672 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 40.7 mmtm -73.12 -24.59 60.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.314 1.046 . . . . 73.42 113.681 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.34 143.39 35.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.945 0.898 . . . . 70.02 110.251 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 22' ' ' LYS . 57.8 mt -96.81 152.83 18.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.12 0.568 . . . . 70.55 111.269 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -83.94 168.67 15.8 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.766 -0.827 . . . . 60.42 108.766 166.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.15 98.56 Favored Pre-proline 0 CA--C 1.572 1.802 0 N-CA-C 113.906 1.076 . . . . 63.23 113.906 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -60.99 -50.96 5.24 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 121.822 1.681 . . . . 61.11 113.631 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.07 -38.04 84.82 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 123.537 0.735 . . . . 74.33 112.365 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -72.12 -41.63 66.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.412 0.685 . . . . 74.42 111.315 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.01 80.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.61 0.764 . . . . 61.22 112.042 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.89 -46.31 88.42 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.837 -0.62 . . . . 71.3 111.669 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.2 tp -65.06 -39.44 93.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.52 0.328 . . . . 71.45 111.131 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.49 57.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.613 0.765 . . . . 71.25 112.189 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -30.32 70.1 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.634 0.605 . . . . 63.14 112.634 -177.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.5 -46.84 87.67 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.061 0.544 . . . . 54.3 111.001 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -92.81 1.6 57.2 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.049 0.94 . . . . 74.32 112.398 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 62.93 17.13 9.78 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.374 1.07 . . . . 71.52 112.9 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.34 177.16 8.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.34 1.056 . . . . 74.43 110.755 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -105.15 157.93 16.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.199 -0.667 . . . . 63.14 109.199 170.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.98 -29.12 64.98 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.867 0.467 . . . . 73.42 111.99 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -65.38 -53.41 43.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.264 0.625 . . . . 52.53 110.444 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -57.76 -48.86 78.43 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.888 0.875 . . . . 62.4 112.408 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.66 -46.23 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.745 . . . . 73.02 111.316 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -69.33 -34.87 75.29 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 122.728 0.411 . . . . 74.23 111.657 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.79 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.187 0.595 . . . . 72.21 110.189 173.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -57.78 -56.45 21.81 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.325 0.65 . . . . 71.43 110.619 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.22 -40.08 61.13 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.637 0.775 . . . . 73.53 111.955 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.23 -50.61 71.06 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.01 0.924 . . . . 54.04 112.519 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -59.44 -50.01 75.58 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.575 0.75 . . . . 54.21 110.618 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -33.61 72.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.587 -1.188 . . . . 71.15 112.296 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.703 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mmm180 . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 123.432 0.693 . . . . 61.02 111.347 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 119.327 -0.368 . . . . 74.52 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -57.41 -58.04 10.02 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.16 0.8 . . . . 62.52 113.16 -171.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 17' ' ' ILE . 27.9 m -62.57 -28.04 69.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.241 0.616 . . . . 73.02 111.692 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.02 -38.61 66.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.847 0.859 . . . . 74.11 111.707 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.63 -33.1 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.631 0.773 . . . . 73.23 110.386 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 77.3 mt -56.56 -51.27 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.08 0.552 . . . . 74.22 110.608 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.11 -43.0 99.79 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.785 0.834 . . . . 75.13 111.957 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 37' ' ' LEU . 28.8 mt -60.49 -36.85 79.3 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.259 1.024 . . . . 70.24 111.423 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.44 -29.64 47.13 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.187 0.595 . . . . 73.31 112.598 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 85.0 mtp180 -60.58 -32.51 71.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.271 0.558 . . . . 65.41 110.188 171.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.25 -44.25 19.99 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.964 0.905 . . . . 65.44 111.432 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -67.33 -31.76 72.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.156 0.982 . . . . 75.32 112.628 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -69.8 -32.49 70.98 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.29 0.636 . . . . 41.41 112.173 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.28 -37.51 32.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.107 0.563 . . . . 75.12 111.386 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -155.87 142.43 18.66 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.513 0.673 . . . . 75.23 111.867 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.85 -22.4 20.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.452 0.701 . . . . 70.25 111.85 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.62 114.74 21.02 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.416 0.687 . . . . 72.02 110.542 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 33' ' ' GLU . 93.8 mt -92.17 146.7 23.51 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.581 0.752 . . . . 74.41 111.254 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -76.56 173.81 11.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.065 0.546 . . . . 72.44 109.999 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.25 94.99 Favored Pre-proline 0 CA--C 1.565 1.555 0 CA-C-O 118.499 -0.762 . . . . 74.22 112.58 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.49 -50.8 8.64 Favored 'Trans proline' 0 C--N 1.387 2.599 0 C-N-CA 121.667 1.578 . . . . 54.3 113.181 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.6 mp0 -64.78 -39.18 93.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -174.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.493 HH11 ' HB3' ' A' ' 45' ' ' GLU . 32.8 ttp85 -64.18 -39.83 94.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.187 0.595 . . . . 74.55 110.884 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.09 73.79 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.385 0.674 . . . . 71.31 112.341 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -66.79 -38.32 86.3 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.46 0.704 . . . . 73.23 110.427 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 19' ' ' LEU . 21.3 tp -74.12 -38.46 63.79 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.589 -0.732 . . . . 64.14 110.646 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.59 -55.41 35.4 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.683 0.793 . . . . 52.45 112.29 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.03 0.752 . . . . 74.23 113.03 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.21 -38.76 92.43 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 75.43 112.198 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -96.72 8.17 44.88 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.393 0.677 . . . . 74.22 112.75 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 56.76 24.48 9.12 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.127 0.971 . . . . 70.45 113.426 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -88.04 179.48 6.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.062 0.945 . . . . 72.42 110.494 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.0 p -106.89 161.69 14.48 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.911 -0.774 . . . . 71.33 108.911 168.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HB3' HH11 ' A' ' 34' ' ' ARG . 55.2 mt-10 -59.74 -34.41 72.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.773 0.429 . . . . 71.3 111.773 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 87.2 m -63.62 -46.08 87.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.044 0.537 . . . . 74.14 110.802 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.86 -43.11 94.06 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.676 0.621 . . . . 74.21 112.676 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.18 -43.5 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.592 0.357 . . . . 42.33 110.065 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -61.32 -40.42 94.12 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 122.879 0.472 . . . . 70.41 111.979 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' THR . 97.5 mt -61.16 -59.68 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.461 0.704 . . . . 73.14 110.608 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -51.44 -58.77 5.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.104 0.878 . . . . 74.13 110.023 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -55.17 -38.57 68.48 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.137 0.792 . . . . 73.21 113.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.59 -52.08 62.52 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.896 0.478 . . . . 73.25 111.69 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.639 0.376 . . . . 55.02 111.359 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -63.16 -34.09 76.87 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.184 0.594 . . . . 74.34 111.914 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 . . . . . 0 N--CA 1.479 1.003 0 C-N-CA 122.804 0.442 . . . . 65.34 110.132 174.817 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 119.546 -0.264 . . . . 71.45 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.7 -56.74 17.66 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.609 0.764 . . . . 75.13 112.869 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -65.16 -32.61 74.38 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.639 0.376 . . . . 73.25 111.632 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.17 -46.82 88.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.18 0.592 . . . . 53.31 111.027 174.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.584 ' HA ' HD12 ' A' ' 19' ' ' LEU . 98.4 t -64.42 -30.41 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.161 0.584 . . . . 74.02 111.556 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.58 -48.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 CA-C-N 118.459 0.572 . . . . 73.35 110.454 173.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 15.3 mm-40 -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.75 0.82 . . . . 75.45 111.901 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.7 mt -62.74 -46.78 86.5 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.079 0.951 . . . . 65.25 111.142 171.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.86 -29.89 70.86 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.252 1.021 . . . . 72.34 112.172 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 80.3 mtp180 -59.38 -53.46 57.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.151 0.58 . . . . 73.14 110.673 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HG2' HD22 ' A' ' 37' ' ' LEU . 47.7 tptt -64.0 -37.06 86.03 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.625 -0.716 . . . . 73.53 111.543 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -66.01 -42.8 89.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.383 1.073 . . . . 74.15 111.217 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -61.85 -30.15 70.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.064 0.946 . . . . 75.13 112.628 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -79.46 -46.45 17.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.542 0.337 . . . . 64.45 111.644 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -154.86 143.0 20.26 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.331 0.653 . . . . 62.31 111.548 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 30.4 mmtp -89.85 -17.25 28.44 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.513 0.931 . . . . 64.35 113.513 -172.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.06 127.29 33.72 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.641 0.777 . . . . 74.03 110.567 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 22' ' ' LYS . 53.2 mt -100.5 137.92 38.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.157 0.583 . . . . 73.43 111.109 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.5 m -77.77 174.16 11.29 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.687 -0.486 . . . . 72.2 109.687 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.85 79.44 Favored Pre-proline 0 CA--C 1.574 1.897 0 N-CA-C 114.208 1.188 . . . . 74.3 114.208 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.65 -49.68 6.74 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.825 1.683 . . . . 70.04 114.206 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.63 -33.28 68.8 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.438 0.695 . . . . 71.43 112.864 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.06 -44.15 73.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.53 0.732 . . . . 74.21 110.673 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.52 80.68 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.101 -0.954 . . . . 62.43 111.533 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.72 -49.35 66.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.721 0.808 . . . . 64.54 111.204 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.0 tp -64.8 -37.12 86.54 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.11 0.481 . . . . 70.44 110.656 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -51.3 64.99 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.424 -0.807 . . . . 73.02 112.953 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.77 -38.02 88.95 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 118.293 0.497 . . . . 74.52 112.062 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -56.13 -44.85 79.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.772 0.829 . . . . 54.54 111.713 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.0 10.21 36.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.435 0.694 . . . . 75.04 112.068 -175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 55.42 22.62 5.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.687 1.195 . . . . 75.14 113.456 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.94 178.27 7.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.079 0.952 . . . . 42.31 109.879 172.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -110.62 161.26 15.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.834 0.454 . . . . 75.55 110.027 172.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.22 -35.18 64.64 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 74.52 112.498 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -62.89 -50.03 72.49 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.192 0.597 . . . . 72.44 111.458 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.3 -48.48 81.57 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.654 0.781 . . . . 71.11 111.861 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.46 -49.9 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.179 0.992 . . . . 70.03 112.265 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.58 -47.81 82.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.695 0.798 . . . . 71.22 111.866 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.5 mt -61.54 -38.75 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.499 -0.773 . . . . 74.13 111.056 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.473 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 83.9 t90 -58.12 -56.38 22.73 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.663 0.385 . . . . 74.11 110.569 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -51.67 -39.79 58.88 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.685 0.794 . . . . 61.12 112.623 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -63.19 -49.43 74.29 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.201 0.6 . . . . 73.43 111.502 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -64.36 -41.58 96.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.208 0.603 . . . . 71.13 111.969 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 17.5 mmm180 -62.35 -40.61 96.95 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 119.456 -0.307 . . . . 75.0 111.588 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 69.8 mtp85 . . . . . 0 N--CA 1.483 1.224 0 O-C-N 123.484 0.49 . . . . 65.11 111.117 172.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.414 ' N ' HE21 ' A' ' 15' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 119.69 -0.195 . . . . 64.53 110.73 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -56.46 -43.73 79.83 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.513 0.725 . . . . 75.22 111.408 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -67.77 -35.65 79.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.648 0.779 . . . . 65.23 111.338 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.414 HE21 ' N ' ' A' ' 12' ' ' SER . 10.3 tt0 -64.63 -43.03 95.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.42 1.088 . . . . 54.12 111.7 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 19' ' ' LEU . 91.2 t -58.67 -38.64 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.005 0.922 . . . . 63.24 111.447 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 70.8 mt -55.19 -48.5 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.323 0.649 . . . . 73.53 111.324 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.384 0.674 . . . . 72.41 112.725 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD23 HD21 ' A' ' 37' ' ' LEU . 56.6 mt -57.11 -43.41 82.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.211 0.604 . . . . 73.31 110.969 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -67.92 -39.67 83.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.85 0.86 . . . . 73.3 112.245 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 43.1 mtp-105 -64.21 -37.67 88.29 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.828 0.451 . . . . 65.21 111.42 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.4 tptm -71.89 -44.1 64.3 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.059 -0.519 . . . . 71.14 110.36 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.62 -45.16 94.12 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.52 1.128 . . . . 73.05 112.7 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -66.65 -29.32 69.31 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.771 0.828 . . . . 71.23 112.054 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -88.81 -31.17 18.47 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.621 . . . . 65.25 111.602 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -148.32 122.61 9.62 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.055 0.931 . . . . 72.04 110.804 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.3 mmtp -82.72 -19.46 37.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.134 0.974 . . . . 74.12 112.807 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -118.07 132.58 56.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.994 0.918 . . . . 74.11 110.426 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 34' ' ' ARG . 96.1 mt -99.06 130.46 45.39 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.866 0.866 . . . . 71.12 110.139 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.7 m -77.52 167.35 21.79 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.047 -0.723 . . . . 71.23 109.047 168.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -53.0 -48.03 93.4 Favored Pre-proline 0 CA--C 1.57 1.749 0 N-CA-C 112.947 0.721 . . . . 75.34 112.947 -178.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 31.7 Cg_exo -63.23 -43.8 17.31 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 121.599 1.533 . . . . 75.32 113.72 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -60.27 -44.7 95.09 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.986 0.914 . . . . 70.55 113.145 -175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 56.8 ttp180 -68.11 -37.23 80.91 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.815 -1.084 . . . . 75.23 110.86 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.04 90.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.675 0.79 . . . . 53.44 111.567 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.23 -51.08 71.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.4 0.68 . . . . 73.34 110.918 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.0 tp -63.94 -41.42 97.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.513 0.325 . . . . 72.12 111.664 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.34 77.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.572 0.749 . . . . 75.31 112.087 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.25 -35.94 78.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.377 0.51 . . . . 74.52 112.377 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.21 -30.83 71.87 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.277 0.631 . . . . 73.34 112.085 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.77 5.34 28.55 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.405 0.682 . . . . 72.04 112.528 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 60.03 20.43 9.57 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.001 0.921 . . . . 73.04 113.16 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.7 177.53 6.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.64 1.176 . . . . 63.23 110.952 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -102.75 151.68 22.12 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.866 -0.79 . . . . 72.52 108.866 171.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 43.9 mt-10 -56.49 -27.26 56.7 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.088 0.555 . . . . 73.51 112.492 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.0 m -61.24 -59.17 5.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.466 0.706 . . . . 73.43 110.601 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.57 -46.64 77.17 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.988 0.915 . . . . 74.12 112.112 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.11 -45.84 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.826 0.85 . . . . 75.33 112.082 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 3.5 ttpm? -66.49 -40.79 89.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.448 0.299 . . . . 64.14 111.221 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.66 -41.31 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.45 0.7 . . . . 74.42 110.909 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -57.64 -57.32 13.21 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.355 0.662 . . . . 71.41 110.455 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.6 m-85 -52.61 -48.69 66.14 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.707 0.803 . . . . 74.21 111.828 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.93 -43.46 86.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.771 1.228 . . . . 73.34 112.384 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.55 -49.18 72.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.775 0.83 . . . . 75.11 111.644 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -35.43 75.65 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 112.639 0.607 . . . . 71.43 112.639 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' NH1' ' HB3' ' A' ' 27' ' ' LYS . 36.2 mtp85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.015 0.436 . . . . 75.4 110.717 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 109.338 -0.616 . . . . 72.34 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' ILE . 67.2 t60 -58.51 -42.73 88.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.666 0.387 . . . . 74.43 111.897 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 69.0 m -61.67 -40.36 94.67 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.357 0.663 . . . . 74.13 111.112 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.88 -42.2 95.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.184 0.994 . . . . 73.22 111.478 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' LEU . 58.2 t -62.09 -38.87 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.131 0.572 . . . . 72.54 110.69 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 76.6 mt -58.78 -46.93 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.899 0.48 . . . . 74.14 111.017 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 14' ' ' THR . 18.3 mm-40 -59.79 -43.37 94.46 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.588 0.755 . . . . 74.3 111.573 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 37' ' ' LEU . 30.4 mt -61.33 -38.05 85.51 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.928 0.891 . . . . 71.11 111.369 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.65 -30.82 63.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.654 0.782 . . . . 53.41 112.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 90.4 mtt-85 -61.09 -42.07 97.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.117 0.567 . . . . 70.42 109.607 172.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HD22 ' A' ' 37' ' ' LEU . 10.7 tppt? -68.94 -42.68 76.4 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.283 -0.871 . . . . 71.24 111.411 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.91 -32.86 69.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.672 1.189 . . . . 74.14 111.144 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.3 m -63.02 -35.67 80.99 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.552 0.741 . . . . 72.15 112.382 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.31 -47.56 17.51 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 118.256 0.48 . . . . 73.21 111.195 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -156.66 146.13 20.63 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.649 0.738 . . . . 51.3 111.84 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 66.4 mmtt -83.18 -21.02 33.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.255 1.022 . . . . 60.42 113.468 -170.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -140.04 128.21 22.41 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.743 0.817 . . . . 72.31 109.336 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD11 ' HG2' ' A' ' 22' ' ' LYS . 95.6 mt -86.1 157.78 19.96 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.14 0.793 . . . . 72.33 113.14 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.0 m -79.26 161.17 26.5 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.961 -1.018 . . . . 70.34 109.844 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.91 -44.37 96.37 Favored Pre-proline 0 CA--C 1.573 1.834 0 N-CA-C 113.946 1.091 . . . . 53.3 113.946 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.5 -56.15 1.7 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 122.154 1.903 . . . . 74.31 114.19 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.45 -19.71 60.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.581 0.956 . . . . 71.42 113.581 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -74.58 -42.54 58.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.649 0.78 . . . . 74.13 109.735 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.56 74.73 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.354 1.062 . . . . 74.12 111.36 173.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 6.2 t60 -62.14 -49.17 76.95 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.914 1.285 . . . . 63.3 110.734 176.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 22' ' ' LYS . 47.8 tp -71.39 -35.21 70.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.596 0.359 . . . . 73.01 110.994 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -54.42 46.57 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.699 0.799 . . . . 54.12 112.4 178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 63.4 pttt -61.67 -36.45 80.88 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.131 0.573 . . . . 62.44 112.469 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.99 -40.49 95.04 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.455 0.702 . . . . 42.52 111.739 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -101.66 8.03 41.82 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.309 0.644 . . . . 74.43 111.907 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 23.27 9.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.681 1.192 . . . . 74.32 113.799 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.25 175.76 8.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.446 1.098 . . . . 75.43 110.768 172.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -110.06 166.8 10.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.565 0.746 . . . . 62.4 109.226 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.02 -19.34 64.27 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.006 0.372 . . . . 72.25 112.006 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.0 m -70.24 -54.28 13.43 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.447 0.699 . . . . 64.13 110.063 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.96 -47.13 87.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.976 0.91 . . . . 65.5 112.329 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.94 -50.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.176 0 C-N-CA 123.566 0.746 . . . . 75.41 110.966 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.64 -46.08 87.9 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.205 0.602 . . . . 75.31 112.517 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.37 -40.13 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.105 0.562 . . . . 61.34 110.836 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -59.95 -54.39 46.65 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.167 0.44 . . . . 72.32 110.946 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 46.7 m-85 -61.02 -32.83 72.42 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.909 0.707 . . . . 73.33 112.909 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.83 -58.39 4.66 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.22 1.008 . . . . 72.41 111.837 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.96 -41.52 99.55 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.295 1.038 . . . . 73.24 112.057 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -53.83 -44.24 70.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.99 0.916 . . . . 63.21 111.838 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 41.3 mtp180 . . . . . 0 CA--C 1.55 0.955 0 O-C-N 123.684 0.615 . . . . 73.01 111.449 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 119.073 -0.489 . . . . 51.4 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -48.33 -51.89 24.09 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.333 1.053 . . . . 65.24 113.569 -172.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.4 m -62.51 -41.25 98.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.685 0.794 . . . . 64.15 111.428 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HG3' HD22 ' A' ' 41' ' ' LEU . 32.5 tt0 -66.23 -40.6 90.39 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.14 0.976 . . . . 71.2 111.635 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.66 -37.75 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.982 0.913 . . . . 75.15 110.947 175.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.35 -40.83 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 122.642 0.377 . . . . 54.02 111.099 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.89 -40.72 91.8 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.857 0.463 . . . . 60.13 111.78 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.72 -44.66 96.34 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.847 0.859 . . . . 73.05 110.92 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -63.84 -37.2 86.51 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.105 0.962 . . . . 74.41 111.751 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.89 -50.58 73.23 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.527 0.731 . . . . 75.31 110.239 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' HD21 ' A' ' 29' ' ' LEU . 52.0 tptt -66.7 -37.14 84.11 Favored 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.377 0.671 . . . . 74.41 111.515 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.89 -40.96 87.91 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.768 1.227 . . . . 72.14 112.525 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -70.32 -25.04 63.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.518 0.727 . . . . 62.24 112.231 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -82.07 -50.65 8.84 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.93 0.395 . . . . 72.13 111.123 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -140.76 133.17 28.39 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.615 0.766 . . . . 63.14 110.769 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 45.3 mmtm -78.46 -19.04 53.96 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.113 0.965 . . . . 53.13 113.421 -173.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.45 123.6 20.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.875 0.87 . . . . 75.04 109.928 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 22' ' ' LYS . 21.6 mt -93.0 135.13 34.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.314 0.487 . . . . 73.52 112.314 -177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -75.03 166.67 23.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.403 -0.591 . . . . 75.22 109.403 167.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.68 -44.99 78.74 Favored Pre-proline 0 CA--C 1.573 1.844 0 N-CA-C 114.683 1.364 . . . . 63.14 114.683 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.64 -43.11 22.7 Favored 'Trans proline' 0 C--N 1.39 2.712 0 C-N-CA 121.885 1.724 . . . . 75.04 113.421 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.18 -38.07 78.5 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.613 0.765 . . . . 65.33 111.4 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -71.73 -43.38 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.048 1.339 . . . . 73.42 110.706 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.23 91.13 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.916 0.886 . . . . 52.13 111.811 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.7 -50.88 70.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.936 0.895 . . . . 71.31 111.051 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 22' ' ' LYS . 26.3 tp -68.65 -35.23 76.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.451 0.301 . . . . 63.44 110.753 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 -59.3 5.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.498 0.719 . . . . 51.43 111.741 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -63.93 -37.37 87.16 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.858 0.688 . . . . 72.33 112.858 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.63 -32.28 73.76 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.455 0.702 . . . . 71.02 111.945 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 15' ' ' GLN . 93.2 mt -99.64 3.01 45.02 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.531 0.732 . . . . 74.31 111.851 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 57.99 20.43 6.78 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.348 1.059 . . . . 75.42 112.938 -177.427 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -88.06 179.97 6.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.976 1.31 . . . . 62.04 109.882 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 p -108.19 161.58 14.85 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.896 0.478 . . . . 74.32 110.285 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.9 -32.88 68.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.072 0.549 . . . . 74.4 112.12 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 m -70.53 -41.52 72.42 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.874 0.47 . . . . 74.01 110.961 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.08 -47.59 83.97 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.22 0.608 . . . . 73.23 112.005 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.11 -39.46 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 C-N-CA 123.776 0.83 . . . . 44.03 111.417 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -58.98 -51.54 69.63 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.207 0.603 . . . . 73.12 111.373 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.83 -37.27 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.025 0.93 . . . . 55.14 111.529 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.98 -55.87 27.83 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.732 0.413 . . . . 73.44 110.437 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 14.2 m-85 -55.39 -44.76 76.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.496 0.719 . . . . 74.11 111.991 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.82 -50.74 69.7 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.596 1.158 . . . . 71.34 112.033 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.59 -43.2 81.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.908 0.883 . . . . 75.31 111.856 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.88 71.12 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 122.809 0.444 . . . . 74.33 111.693 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.606 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 23.8 mmm180 . . . . . 0 N--CA 1.492 1.663 0 CA-C-N 118.595 0.634 . . . . 74.43 111.979 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' N ' HE21 ' A' ' 15' ' ' GLN . 24.3 t . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 119.401 -0.333 . . . . 74.35 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -60.97 -43.06 99.35 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.223 0.609 . . . . 72.22 111.038 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -64.69 -37.47 87.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.583 0.753 . . . . 74.22 110.664 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.435 HE21 ' N ' ' A' ' 12' ' ' SER . 10.5 tt0 -67.2 -38.05 84.68 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.306 1.042 . . . . 74.3 112.023 177.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 96.1 t -66.35 -36.61 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.817 0.447 . . . . 64.54 110.599 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 89.9 mt -59.08 -45.0 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.824 0.45 . . . . 62.44 110.441 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.53 -48.68 80.06 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.123 0.969 . . . . 75.3 111.817 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 16' ' ' VAL . 37.6 mt -56.49 -40.69 75.36 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.907 0.883 . . . . 65.43 111.541 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 50.0 mt-10 -73.19 -27.81 61.85 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.032 0.933 . . . . 74.23 112.082 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 99.7 mtt180 -64.13 -33.89 76.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.132 0.573 . . . . 70.32 110.493 173.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.77 -38.62 32.75 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.536 0.734 . . . . 72.11 111.104 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 48.8 t80 -63.8 -32.72 74.32 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.87 1.268 . . . . 74.33 111.475 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -57.09 -36.17 70.29 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.5 1.12 . . . . 65.51 112.445 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -82.49 -45.14 15.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.906 0.482 . . . . 73.23 111.478 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 135.71 18.87 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.319 0.58 . . . . 71.2 111.487 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -74.08 -18.91 60.76 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.644 0.979 . . . . 74.1 113.644 -174.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -152.1 158.61 43.22 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.297 1.039 . . . . 64.05 109.563 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 19.6 mt -110.77 156.69 20.71 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.384 0.512 . . . . 63.15 112.384 -171.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.5 m -82.37 168.76 17.2 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.886 -0.783 . . . . 54.33 108.886 165.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.62 99.06 Favored Pre-proline 0 CA--C 1.573 1.83 0 N-CA-C 113.99 1.107 . . . . 62.12 113.99 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.02 -50.73 10.56 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 122.411 2.074 . . . . 71.41 113.748 171.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 29' ' ' LEU . 11.1 mm-40 -65.05 -35.24 80.55 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.383 0.673 . . . . 65.13 111.915 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.45 -46.71 69.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.281 1.032 . . . . 75.14 111.044 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.46 89.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.893 0.877 . . . . 41.01 111.782 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -62.38 -44.75 95.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.048 0.939 . . . . 74.35 111.381 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 19' ' ' LEU . 32.5 tp -69.16 -42.17 76.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.82 0.448 . . . . 73.3 110.834 178.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.73 66.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.671 0.788 . . . . 53.12 112.449 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.64 -33.26 75.53 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.24 0.459 . . . . 74.24 112.24 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.58 -44.09 83.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.029 0.532 . . . . 52.24 111.725 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.4 mt -98.21 9.13 43.68 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.081 0.552 . . . . 62.01 112.209 -174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 60.45 24.75 14.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.112 0.965 . . . . 54.12 112.935 179.248 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.96 178.31 5.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.556 1.142 . . . . 62.52 110.773 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -107.58 166.15 10.89 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.07 -0.715 . . . . 73.01 109.07 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.61 -27.63 69.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.771 0.428 . . . . 62.03 111.691 175.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.8 m -63.84 -55.73 20.68 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.336 0.654 . . . . 72.31 110.08 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.52 -46.36 83.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.42 1.088 . . . . 74.32 113.179 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.29 -49.31 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.423 0.689 . . . . 65.21 111.37 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.69 -40.42 87.8 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.291 0.636 . . . . 74.1 111.66 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.02 -51.23 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.682 0.793 . . . . 72.34 111.13 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -60.82 -52.93 62.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.264 -0.398 . . . . 64.05 111.087 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -58.39 -33.54 69.74 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.801 0.667 . . . . 73.32 112.801 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.98 -60.13 2.58 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 122.485 0.314 . . . . 70.34 111.271 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -63.18 -33.02 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.159 0.8 . . . . 74.15 113.159 -177.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.36 -39.85 94.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.149 0.58 . . . . 75.14 112.406 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 73.33 111.205 172.624 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.8 t . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.714 -0.66 . . . . 74.32 109.762 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -48.78 -58.36 4.92 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.973 1.101 . . . . 75.34 113.973 -169.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 32.9 m -61.83 -41.37 97.71 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.879 0.471 . . . . 72.05 110.91 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.1 -45.07 94.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.412 1.085 . . . . 74.21 111.952 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 12' ' ' SER . 95.8 t -58.17 -41.19 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.034 0.934 . . . . 73.11 110.7 174.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.2 mt -62.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.193 0.597 . . . . 41.44 111.217 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.8 mm-40 -62.6 -41.91 99.26 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.449 0.642 . . . . 75.31 110.704 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.88 -36.26 83.8 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 114.778 -1.101 . . . . 61.3 110.983 173.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.99 -33.98 75.67 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.915 0.886 . . . . 64.13 112.886 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 66.8 mtt-85 -57.02 -52.77 63.93 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.558 0.694 . . . . 62.33 109.852 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' HD22 ' A' ' 37' ' ' LEU . 53.3 tptt -64.14 -40.07 95.37 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.249 -1.342 . . . . 64.5 111.324 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.02 -39.36 90.16 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.467 1.107 . . . . 74.54 111.846 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -63.51 -32.66 74.17 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.196 0.999 . . . . 65.03 112.096 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -79.56 -47.26 15.82 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.177 0.513 . . . . 74.21 111.086 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -148.44 136.62 21.11 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.73 0.812 . . . . 73.51 111.482 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -79.9 -45.25 18.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.956 0.902 . . . . 74.44 110.728 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.87 132.18 37.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.183 0.993 . . . . 53.11 110.559 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.23 143.82 34.9 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.862 0.465 . . . . 53.32 111.49 175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -79.34 159.86 26.99 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.257 -0.646 . . . . 72.52 109.257 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.98 -46.63 99.74 Favored Pre-proline 0 CA--C 1.576 1.957 0 N-CA-C 113.62 0.97 . . . . 71.21 113.62 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.84 -46.76 12.62 Favored 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.012 1.808 . . . . 73.14 113.179 174.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.68 -45.38 85.7 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.254 0.622 . . . . 74.11 112.124 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -68.3 -38.05 81.24 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.361 -0.836 . . . . 62.35 111.809 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.8 87.43 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.495 0.718 . . . . 60.31 111.657 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -64.86 -43.28 93.51 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.13 0.572 . . . . 71.13 111.466 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 22' ' ' LYS . 37.3 tp -64.41 -36.7 85.0 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.256 0.622 . . . . 74.44 111.256 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.38 46.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.153 0.981 . . . . 64.42 111.514 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.96 -30.6 71.19 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.435 0.532 . . . . 71.55 112.435 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.01 -29.83 70.96 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 55.13 112.118 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' HG3' ' A' ' 18' ' ' GLU . 87.8 mt -111.52 12.98 21.37 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.967 0.729 . . . . 64.41 112.967 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 59.44 14.43 3.81 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 113.338 0.866 . . . . 55.4 113.338 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.32 177.5 7.8 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.934 0.894 . . . . 53.01 111.068 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -107.14 162.33 13.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.139 0.576 . . . . 53.42 109.529 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.48 -26.67 65.45 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.156 0.583 . . . . 74.15 111.192 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -72.76 -47.36 47.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.108 0.563 . . . . 75.51 110.958 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.64 -44.54 93.47 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.228 0.611 . . . . 74.2 111.466 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.45 -41.89 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 123.206 0.603 . . . . 64.32 111.222 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -44.17 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.242 0.617 . . . . 63.15 111.198 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.99 -48.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.716 0.806 . . . . 61.43 110.612 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.06 -57.95 9.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.55 0.74 . . . . 75.23 110.044 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -59.0 -33.97 71.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.723 0.809 . . . . 74.41 112.895 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -70.16 -49.26 52.31 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.244 0.475 . . . . 72.53 111.949 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -60.52 -39.43 87.8 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.043 0.537 . . . . 74.12 111.869 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.1 79.69 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.095 0.558 . . . . 63.25 112.001 177.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.836 0.351 . . . . 74.4 110.334 174.562 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.2 t . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 119.311 -0.376 . . . . 73.32 110.352 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -52.84 -57.75 9.19 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 123.809 0.844 . . . . 71.22 112.524 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -63.4 -35.66 81.13 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.813 0.845 . . . . 52.41 111.552 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.29 -38.33 87.5 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.414 1.085 . . . . 52.13 111.81 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' SER . 91.5 t -62.89 -43.14 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.269 0.627 . . . . 52.23 110.571 171.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.46 -42.09 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 C-N-CA 123.448 0.699 . . . . 72.32 111.221 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -63.67 -43.43 96.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.668 0.787 . . . . 52.24 111.983 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 37' ' ' LEU . 47.8 mt -63.52 -35.15 79.51 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 123.347 0.659 . . . . 72.03 111.218 173.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.84 -37.65 76.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.929 0.891 . . . . 63.11 111.804 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -60.32 -42.43 95.6 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.543 0.737 . . . . 71.33 111.032 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 51.1 tptt -73.66 -41.35 62.83 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.612 -0.722 . . . . 71.04 111.181 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.91 -38.75 92.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.655 0.782 . . . . 73.42 111.852 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -60.21 -24.97 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.62 0.768 . . . . 72.25 112.167 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -91.1 -40.25 11.71 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.014 0.526 . . . . 74.1 111.431 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.24 135.84 19.45 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.993 0.738 . . . . 72.14 112.993 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.77 -41.15 62.83 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.249 1.02 . . . . 51.11 111.668 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -113.82 138.39 50.34 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.231 1.012 . . . . 71.22 109.56 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.14 146.31 26.27 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.986 0.514 . . . . 73.11 111.718 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -71.66 161.51 30.88 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.486 -0.561 . . . . 52.13 109.486 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -45.06 99.54 Favored Pre-proline 0 CA--C 1.565 1.54 0 CA-C-O 118.495 -0.764 . . . . 74.34 112.918 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.52 -50.69 6.36 Favored 'Trans proline' 0 C--N 1.391 2.802 0 C-N-CA 121.519 1.479 . . . . 43.13 113.016 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.16 -33.72 76.44 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.428 0.899 . . . . 73.32 113.428 -172.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -74.49 -42.11 59.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.904 0.482 . . . . 71.04 110.888 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.27 89.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.78 0.832 . . . . 71.44 111.816 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.88 -48.53 65.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.489 0.716 . . . . 74.14 110.808 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 54.6 tp -62.45 -36.16 81.55 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.071 0.548 . . . . 75.43 110.962 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.59 72.38 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.54 -0.754 . . . . 74.3 111.341 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.21 -27.2 61.48 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.806 0.669 . . . . 74.44 112.806 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.77 -35.01 78.45 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.369 0.668 . . . . 54.24 111.157 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.7 mt -110.52 5.89 21.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.822 0.849 . . . . 73.02 112.258 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 56.81 25.78 10.74 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.243 1.017 . . . . 65.43 112.857 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.59 176.5 6.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.952 1.301 . . . . 73.51 111.167 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -101.4 147.74 25.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.173 0.589 . . . . 71.14 109.509 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.94 -29.29 59.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.649 0.78 . . . . 70.24 112.347 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 -56.1 18.71 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.547 0.739 . . . . 72.5 110.788 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.83 -39.07 90.52 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.579 0.585 . . . . 61.41 112.579 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.13 -44.92 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.103 0.561 . . . . 52.45 110.783 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -62.43 -39.81 94.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.787 0.835 . . . . 60.3 111.923 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 85.8 mt -68.15 -42.01 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.854 0.862 . . . . 73.23 111.354 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -59.59 -54.65 44.01 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.461 -0.57 . . . . 74.02 109.461 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 12.7 m-85 -56.76 -32.15 65.31 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.786 0.835 . . . . 74.32 112.218 174.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 42.3 tt0 -60.25 -54.67 43.06 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.579 0.752 . . . . 51.11 111.752 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -62.45 -40.02 95.25 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.003 -0.544 . . . . 71.14 112.072 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -28.97 66.19 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 112.597 0.592 . . . . 45.02 112.597 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 46.1 mtm105 . . . . . 0 N--CA 1.491 1.586 0 CA-C-N 118.283 0.492 . . . . 71.24 110.308 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 111.373 0.138 . . . . 73.11 111.373 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.91 -155.23 26.49 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.474 -0.33 . . . . 73.43 113.334 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -84.66 109.1 17.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.607 0.763 . . . . 70.4 110.043 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -57.82 -33.94 69.13 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.626 0.77 . . . . 75.43 112.62 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -149.56 123.12 9.14 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.842 0.857 . . . . 71.43 110.363 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -149.18 125.62 10.92 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.776 0.43 . . . . 75.23 112.004 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -169.42 174.58 5.92 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.473 1.109 . . . . 72.11 109.853 171.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -72.11 104.1 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.21 -0.663 . . . . 75.41 109.21 171.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 123.65 19.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.166 0.586 . . . . 61.44 112.174 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -76.12 68.24 2.53 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.952 0.882 . . . . 65.41 109.842 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.1 mtm -67.95 158.06 33.62 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.863 -1.062 . . . . 72.04 112.059 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -78.63 149.9 32.81 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.002 -0.544 . . . . 60.02 109.988 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -57.96 -44.08 86.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.439 0.695 . . . . 74.13 111.789 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 m -68.28 -34.51 76.3 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.527 0.731 . . . . 70.3 111.622 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.66 -38.5 86.97 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.934 0.894 . . . . 65.45 111.35 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.59 ' HA ' HD12 ' A' ' 19' ' ' LEU . 93.6 t -66.66 -33.5 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.168 0.587 . . . . 71.12 110.971 175.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.27 -42.89 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 122.428 0.291 . . . . 64.52 110.73 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.53 -40.82 96.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.533 0.733 . . . . 63.35 112.073 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 16' ' ' VAL . 67.9 mt -59.04 -41.87 88.86 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.657 -0.701 . . . . 63.5 110.762 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.29 -28.26 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.984 0.914 . . . . 71.13 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.2 -38.37 81.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.238 0.615 . . . . 74.33 110.556 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.551 ' HG2' HD22 ' A' ' 37' ' ' LEU . 17.9 tptp -69.73 -42.28 74.18 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.794 -0.639 . . . . 73.43 110.27 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.6 -44.21 94.68 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.85 1.26 . . . . 75.42 111.761 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -56.03 -41.04 74.36 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.027 0.931 . . . . 54.14 112.195 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -79.76 -44.73 20.15 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.396 0.678 . . . . 75.14 111.599 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 33' ' ' GLU . 20.9 pt20 -142.28 128.17 19.45 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.568 0.699 . . . . 75.32 110.409 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -79.85 -26.72 40.27 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.638 0.775 . . . . 60.41 112.387 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -116.7 127.0 53.99 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.676 0.79 . . . . 64.32 110.129 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.26 133.48 45.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.75 0.42 . . . . 60.15 110.189 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.3 m -84.43 176.85 8.4 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.674 -0.861 . . . . 71.04 108.674 165.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.11 82.57 Favored Pre-proline 0 CA--C 1.577 1.981 0 N-CA-C 114.274 1.213 . . . . 74.02 114.274 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.81 -52.72 4.74 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.18 1.92 . . . . 54.15 114.343 174.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HG2' HE22 ' A' ' 26' ' ' GLN . 1.8 mp0 -65.1 -34.68 78.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.177 0.591 . . . . 61.33 111.784 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 57.6 ttp180 -72.2 -44.65 62.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.536 1.134 . . . . 74.31 111.375 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.68 -38.35 77.01 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.799 0.84 . . . . 72.1 111.748 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 81.1 t60 -62.63 -50.2 72.19 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.864 0.866 . . . . 74.3 111.386 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.8 tp -66.2 -35.94 81.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.776 0.431 . . . . 70.3 110.682 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.47 2.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.439 0.696 . . . . 43.35 111.434 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 64.5 pttt -62.95 -33.82 76.19 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.167 0.587 . . . . 72.44 112.575 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.5 -36.96 84.18 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.274 0.63 . . . . 64.34 112.098 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.48 5.11 41.79 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.113 0.565 . . . . 53.55 111.45 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 62.36 12.94 5.63 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 125.27 1.428 . . . . 54.45 113.632 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.13 177.53 7.76 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.397 1.079 . . . . 60.14 111.339 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.1 p -105.23 156.23 18.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.147 0.579 . . . . 70.02 109.707 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.14 -37.85 62.18 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.17 0.588 . . . . 74.11 111.575 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.2 m -57.34 -57.6 11.91 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.497 0.719 . . . . 72.31 111.686 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -56.43 -45.39 80.79 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.846 0.858 . . . . 64.44 112.483 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.17 -40.28 88.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-N 115.528 -0.76 . . . . 71.13 111.055 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 27.7 ttpp -68.57 -37.74 80.15 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.579 0.752 . . . . 73.42 111.236 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 87.7 mt -62.83 -44.66 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.753 0.821 . . . . 75.43 109.79 174.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 77.6 t90 -61.31 -57.94 10.27 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.964 0.506 . . . . 74.35 110.948 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -58.63 -33.21 69.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.249 0.62 . . . . 61.54 112.534 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.08 -55.35 35.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.942 0.497 . . . . 72.24 110.662 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.09 -44.73 96.92 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.286 -0.87 . . . . 73.42 112.186 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 15.3 mmm-85 -65.13 -33.39 75.9 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.054 0.542 . . . . 73.31 112.408 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -79.13 -23.05 44.28 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 122.703 0.401 . . . . 63.14 110.812 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -83.38 -26.06 30.8 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.942 0.897 . . . . 75.34 111.26 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.698 ' HA ' ' H ' ' A' ' 69' ' ' GLY . 99.4 mttt -90.75 -19.24 23.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.287 1.035 . . . . 70.11 112.845 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -83.95 150.13 25.86 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.486 0.184 . . . . 71.03 110.738 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HG2' ' OG ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -62.73 96.98 0.09 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.857 0.863 . . . . 65.3 110.324 -177.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -96.68 151.25 19.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.763 0.425 . . . . 64.51 111.428 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -79.88 96.7 6.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.3 0.64 . . . . 72.14 110.861 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -126.47 -155.18 0.67 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.107 0.963 . . . . 62.11 109.416 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -66.27 -29.57 69.83 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 122.891 0.476 . . . . 73.52 110.558 163.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -148.45 160.48 43.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.165 0.986 . . . . 74.22 110.535 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 60' ' ' LYS . 34.8 t -66.02 111.96 3.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.453 0.701 . . . . 71.25 111.87 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.51 93.3 2.97 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.269 0.557 . . . . 71.55 111.197 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.96 90.98 3.47 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.339 0.656 . . . . 74.12 110.135 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.698 ' H ' ' HA ' ' A' ' 58' ' ' LYS . . . . . . . . 0 C--N 1.352 1.444 0 N-CA-C 114.56 0.584 . . . . 61.35 114.56 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.535 0.207 . . . . 54.51 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.65 72.66 1.49 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 111.552 -0.619 . . . . 45.31 111.552 168.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -92.62 139.82 30.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.705 0.802 . . . . 74.22 112.223 -171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -164.35 131.69 3.25 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.84 0.456 . . . . 71.01 109.868 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -77.77 117.54 19.26 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.729 0.812 . . . . 55.11 109.82 172.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' HB2' HD21 ' A' ' 54' ' ' ASN . 29.6 m80 -97.06 152.74 18.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.533 0.733 . . . . 73.43 110.959 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -84.19 157.88 21.49 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 114.987 -1.006 . . . . 71.41 111.086 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -163.54 168.23 20.34 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.009 0.924 . . . . 74.32 110.541 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 m -62.28 145.38 53.89 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.601 0.36 . . . . 63.53 111.278 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -68.48 98.49 0.86 Allowed 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.004 0.521 . . . . 74.2 111.12 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.79 150.8 47.95 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 112.34 0.496 . . . . 72.53 112.34 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 m -82.19 167.52 18.61 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.966 0.907 . . . . 60.13 111.0 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -54.85 -57.04 13.2 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.643 0.777 . . . . 72.43 111.44 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.501 ' HA ' HD12 ' A' ' 17' ' ' ILE . 22.3 m -64.09 -33.86 76.73 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.084 0.954 . . . . 64.22 111.865 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 41' ' ' LEU . 59.5 tt0 -65.31 -47.26 77.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.966 0.907 . . . . 70.34 111.969 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.09 -37.41 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.322 0.649 . . . . 71.51 111.192 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 14' ' ' THR . 84.8 mt -56.85 -50.55 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.448 0.699 . . . . 74.21 111.475 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 14' ' ' THR . 8.1 mm-40 -61.66 -41.48 97.58 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.58 0.752 . . . . 72.23 111.891 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 37' ' ' LEU . 70.1 mt -62.1 -40.64 96.55 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 115.047 -0.978 . . . . 73.23 111.359 173.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.17 -29.23 61.68 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.577 0.751 . . . . 73.55 112.595 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 74.0 mtp180 -62.45 -48.03 81.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.506 0.723 . . . . 71.32 110.631 172.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.2 tptt -69.73 -37.51 76.52 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.803 -1.09 . . . . 53.41 111.154 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 70.4 t80 -70.82 -36.83 73.12 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.021 0.928 . . . . 70.5 112.483 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -63.44 -38.39 90.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.528 0.731 . . . . 51.34 111.21 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.51 -36.89 57.5 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.43 -0.805 . . . . 73.21 111.048 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.34 132.68 11.92 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-O 121.638 0.732 . . . . 54.5 111.726 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -75.97 -33.6 59.78 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.054 0.941 . . . . 63.22 111.286 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.46 124.42 52.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.314 1.046 . . . . 72.45 110.151 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.13 152.06 21.3 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.045 0.45 . . . . 72.11 111.299 172.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -88.8 162.19 16.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.209 -0.663 . . . . 72.23 109.209 164.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.81 95.79 Favored Pre-proline 0 CA--C 1.575 1.941 0 N-CA-C 113.887 1.069 . . . . 72.12 113.887 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.41 -40.23 59.63 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.083 1.856 . . . . 72.0 113.517 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.04 -37.58 75.62 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.52 0.728 . . . . 63.51 112.057 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 57.7 ttp180 -69.54 -39.54 77.42 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.751 0.82 . . . . 64.04 110.753 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.95 82.01 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.844 0.858 . . . . 75.53 111.978 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.57 -47.48 85.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.784 0.834 . . . . 52.23 111.635 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 22' ' ' LYS . 46.5 tp -68.02 -40.24 82.98 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.545 0.738 . . . . 74.32 110.976 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.41 68.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.51 0.724 . . . . 71.01 112.641 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -37.72 88.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.99 0.516 . . . . 64.34 112.3 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.6 -36.17 79.95 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.297 0.639 . . . . 62.3 111.745 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HB3' HE21 ' A' ' 15' ' ' GLN . 92.7 mt -103.57 6.88 37.56 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.832 0.853 . . . . 72.34 112.616 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 58.6 22.64 10.02 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.761 1.225 . . . . 73.31 113.243 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.58 177.84 6.95 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.133 0.973 . . . . 65.44 110.385 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.2 p -106.54 160.43 15.43 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.094 -0.706 . . . . 72.51 109.094 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.36 -23.68 62.75 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.99 0.516 . . . . 73.24 111.634 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.1 m -63.87 -60.58 3.1 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.548 0.739 . . . . 63.42 110.422 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -61.45 -39.99 92.87 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.109 0.964 . . . . 73.41 112.295 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.37 -47.14 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.461 0.704 . . . . 74.44 111.177 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 7.4 ttpm? -65.22 -35.2 80.31 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 111.798 0.295 . . . . 70.13 111.798 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.22 -51.97 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.436 0.694 . . . . 61.34 109.87 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -55.41 -53.96 49.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.873 0.869 . . . . 72.5 110.432 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.83 -40.53 84.47 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.991 0.916 . . . . 74.41 112.759 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.11 -46.72 85.98 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.437 0.695 . . . . 74.31 111.719 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 57' ' ' TYR . 47.1 m-80 -79.28 -22.82 44.13 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.508 0.558 . . . . 75.03 112.508 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.63 -33.29 73.77 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.272 0.229 . . . . 73.2 111.253 168.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -67.39 -41.59 84.71 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.307 0.575 . . . . 75.31 109.873 170.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -66.52 -18.68 65.5 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 124.489 1.115 . . . . 71.44 111.892 171.203 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -91.32 -30.71 16.42 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 114.173 1.175 . . . . 73.31 114.173 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' ARG . 16.8 p -64.86 149.05 50.2 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 114.525 1.306 . . . . 74.41 114.525 -170.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -63.68 -43.7 95.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.946 0.898 . . . . 71.11 111.41 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -74.56 110.69 9.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.285 -0.635 . . . . 72.54 109.285 171.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 27.2 ttmt -170.79 137.16 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 119.217 -0.421 . . . . 74.53 111.108 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG3' ' H ' ' A' ' 64' ' ' LEU . 24.4 pt20 39.39 -77.08 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 126.746 2.018 . . . . 73.24 115.927 173.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' H ' ' HG3' ' A' ' 63' ' ' GLN . 57.2 tp -160.19 -42.03 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.735 1.214 . . . . 74.54 108.764 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -161.8 153.97 19.53 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.044 0.938 . . . . 74.33 110.887 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.7 p -176.9 -56.33 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.182 0.993 . . . . 61.22 110.522 174.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -84.28 101.78 12.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.381 0.672 . . . . 74.53 110.191 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.64 119.54 19.82 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.592 0.757 . . . . 70.21 111.156 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.287 0 CA-C-O 121.372 0.429 . . . . 71.44 113.365 177.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.377 -0.231 . . . . 74.04 110.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.92 2.54 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 116.647 -0.251 . . . . 72.2 113.481 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -70.48 94.03 0.94 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.395 0.678 . . . . 71.41 111.202 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -84.96 115.1 22.61 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.381 -0.6 . . . . 74.44 109.381 174.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -85.56 170.35 12.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.664 0.786 . . . . 64.32 112.806 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -141.9 103.25 4.3 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.645 1.178 . . . . 75.02 108.464 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -58.66 120.16 8.41 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-O 121.491 0.662 . . . . 65.1 111.806 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -146.36 104.78 3.82 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.318 1.047 . . . . 72.4 108.806 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.7 p -71.8 124.99 26.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.642 0.377 . . . . 74.35 111.345 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -76.81 149.99 36.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.979 0.512 . . . . 70.52 110.622 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.431 ' HG2' HD11 ' A' ' 19' ' ' LEU . 2.0 mpt? -63.27 162.77 11.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.399 0.518 . . . . 74.11 112.399 176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -72.34 166.26 22.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.813 0.845 . . . . 62.52 110.232 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.61 -61.33 2.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.414 0.686 . . . . 73.51 112.438 -173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.442 ' HA ' HD12 ' A' ' 17' ' ' ILE . 87.7 m -66.36 -30.58 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.384 0.674 . . . . 74.21 111.861 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG3' HD22 ' A' ' 41' ' ' LEU . 62.7 tt0 -62.03 -43.33 99.08 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.298 0.639 . . . . 64.13 111.481 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 19' ' ' LEU . 79.3 t -64.85 -38.89 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.617 0.767 . . . . 71.2 111.192 173.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.4 mt -55.69 -45.74 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 122.745 0.418 . . . . 72.4 110.593 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.39 -44.82 95.55 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.711 0.804 . . . . 71.53 111.762 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 HD21 ' A' ' 37' ' ' LEU . 48.9 mt -58.22 -40.3 81.27 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.561 0.744 . . . . 71.01 111.436 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.03 -35.22 76.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.099 0.96 . . . . 72.32 111.569 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 56.8 mtp180 -63.83 -34.04 77.02 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.26 0.624 . . . . 63.34 111.38 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.5 tptt -80.82 -41.96 22.44 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.764 0.426 . . . . 72.03 110.82 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -64.01 -41.17 97.56 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.215 1.006 . . . . 74.42 112.049 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.7 p -63.67 -30.88 71.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.553 0.741 . . . . 73.51 112.356 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -83.26 -38.3 22.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.734 0.414 . . . . 61.4 111.262 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -150.72 132.18 14.71 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.256 0.622 . . . . 61.2 111.312 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -83.06 -25.3 32.22 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.374 0.67 . . . . 72.44 111.21 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -118.55 121.64 40.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.353 1.061 . . . . 64.44 109.948 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 34' ' ' ARG . 97.1 mt -96.49 141.25 30.0 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.241 0.616 . . . . 61.14 111.202 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -87.41 174.74 8.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.323 0.649 . . . . 74.52 109.697 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.99 98.37 Favored Pre-proline 0 CA--C 1.574 1.867 0 N-CA-C 114.317 1.228 . . . . 73.32 114.317 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.75 -46.47 13.76 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.902 1.735 . . . . 74.3 113.637 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.23 -40.72 86.38 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.897 0.879 . . . . 73.14 112.414 -173.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 48.5 ttp180 -69.18 -41.57 77.0 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.886 0.874 . . . . 64.51 111.447 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.17 74.73 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.419 0.687 . . . . 51.25 111.85 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -61.29 -44.62 96.92 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.74 0.816 . . . . 64.25 110.438 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD22 ' HG2' ' A' ' 22' ' ' LYS . 29.2 tp -71.62 -36.02 70.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.156 0.582 . . . . 71.31 111.188 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -51.47 69.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.465 0.706 . . . . 60.12 112.013 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -69.57 -34.91 74.83 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.44 0.533 . . . . 74.35 112.44 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.05 -37.07 85.75 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.203 0.601 . . . . 73.32 111.631 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 15' ' ' GLN . 95.6 mt -104.57 2.62 30.96 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.185 0.809 . . . . 71.34 113.185 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt 61.69 17.83 9.04 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.904 0.882 . . . . 74.13 113.082 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.88 179.93 7.63 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.252 1.021 . . . . 74.22 110.476 173.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -102.96 158.33 16.36 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.129 -0.693 . . . . 73.32 109.129 168.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.32 -33.6 63.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.16 0.584 . . . . 72.42 112.033 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -60.8 -50.99 71.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.764 0.825 . . . . 74.43 111.652 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -59.9 -48.52 81.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.478 0.711 . . . . 72.33 112.016 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.6 -46.52 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 C-N-CA 123.741 0.816 . . . . 75.25 111.785 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 86.3 tttt -58.49 -50.59 73.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.92 0.888 . . . . 74.23 112.36 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.92 -35.53 75.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.101 0.96 . . . . 75.23 111.475 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -60.25 -53.66 54.99 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.637 0.375 . . . . 75.32 110.329 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.75 -42.25 78.99 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.769 0.828 . . . . 73.43 112.335 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.35 -44.79 90.36 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.77 0.828 . . . . 64.43 111.863 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.71 -33.64 68.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.467 0.707 . . . . 73.51 111.567 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -38.07 89.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.693 0.397 . . . . 64.51 111.153 172.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -62.19 -37.86 86.92 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.038 0.535 . . . . 73.23 110.601 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -68.31 -30.33 69.29 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.898 0.879 . . . . 63.3 111.94 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -85.22 -27.75 25.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.152 0.581 . . . . 62.44 112.398 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -76.79 95.84 4.13 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.251 0.548 . . . . 63.31 110.881 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -77.08 96.58 4.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.204 -0.907 . . . . 65.0 109.322 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -67.61 107.21 2.44 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 122.989 0.515 . . . . 74.43 111.354 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 59.3 tttm -74.15 133.87 42.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.828 0.851 . . . . 72.43 109.131 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.23 -28.13 7.11 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.291 1.589 . . . . 55.43 115.291 -166.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.83 76.97 1.56 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.083 -1.08 . . . . 72.11 108.083 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 33.2 t -160.77 172.47 16.99 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.562 0.745 . . . . 64.15 110.229 177.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 t -57.15 145.33 31.6 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.976 0.911 . . . . 70.54 113.151 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 70.34 16.67 7.16 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 125.087 1.355 . . . . 74.15 112.887 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.91 -45.99 69.47 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 53.51 109.917 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.893 0 CA-C-O 121.191 0.328 . . . . 42.12 112.586 177.159 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.621 0.248 . . . . 53.14 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.12 112.7 2.15 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 114.022 0.369 . . . . 63.03 114.022 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -101.55 164.47 11.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.692 0.797 . . . . 73.43 110.696 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -74.41 127.55 33.31 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.337 0.655 . . . . 51.04 110.191 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -73.09 108.48 6.0 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.146 0.578 . . . . 53.4 111.311 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -82.44 161.77 22.33 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.613 0.765 . . . . 73.34 111.571 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -69.54 79.47 0.41 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.706 0.802 . . . . 72.11 112.365 -174.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -152.96 137.81 17.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.071 1.348 . . . . 51.04 109.753 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 p -83.55 85.22 7.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.13 0.572 . . . . 61.11 110.133 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -124.86 150.12 46.79 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.143 0.577 . . . . 73.12 111.136 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.505 ' HG2' HD11 ' A' ' 19' ' ' LEU . 1.8 mpt? -68.34 165.41 18.72 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 122.966 0.506 . . . . 63.12 111.564 170.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.7 t -76.48 160.34 29.59 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 118.746 -0.645 . . . . 63.5 109.336 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -50.97 -58.47 5.95 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.059 0.763 . . . . 72.43 113.059 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 96.4 m -63.39 -33.71 76.15 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.113 0.565 . . . . 73.43 111.485 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.538 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.5 tt0 -67.53 -41.25 84.68 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.321 1.048 . . . . 71.22 112.037 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 11' ' ' MET . 61.7 t -60.29 -44.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.299 0.64 . . . . 70.23 109.814 172.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.5 mt -59.89 -39.31 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.596 0.758 . . . . 73.42 111.342 176.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' THR . 22.9 mm-40 -62.63 -45.57 92.23 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.456 0.702 . . . . 74.11 111.228 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 11' ' ' MET . 64.5 mt -59.18 -38.19 79.22 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.619 0.768 . . . . 62.15 111.168 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.78 -30.36 67.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.907 0.883 . . . . 72.34 111.778 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.4 mtp180 -67.26 -34.74 78.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.002 0.521 . . . . 65.22 111.046 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -75.89 -42.59 48.67 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.18 0.514 . . . . 65.32 110.66 173.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 87.6 t80 -61.42 -37.2 82.63 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.99 1.316 . . . . 72.23 111.922 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HA ' ' OG ' ' A' ' 66' ' ' SER . 89.2 p -63.9 -44.11 93.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.586 0.755 . . . . 60.2 112.508 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -72.65 -37.3 68.01 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 111.576 0.213 . . . . 73.52 111.576 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -149.9 133.0 16.27 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.438 0.637 . . . . 70.32 111.154 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -79.58 -37.11 37.07 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.739 0.816 . . . . 74.51 111.385 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.87 123.73 49.52 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.263 1.025 . . . . 72.13 109.293 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.87 148.31 22.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 75.34 111.025 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -89.5 174.73 7.62 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.602 -0.888 . . . . 60.1 108.602 164.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.76 -48.17 94.33 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 113.199 0.815 . . . . 60.12 113.199 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.91 -44.46 24.99 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.493 1.462 . . . . 25.2 113.991 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 118.895 0.771 . . . . 72.3 112.311 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -67.26 -42.12 84.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.315 0.646 . . . . 64.11 111.774 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.72 77.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.343 0.657 . . . . 73.54 112.17 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -57.97 -50.56 72.95 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.86 0.464 . . . . 75.04 111.331 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.1 tp -59.38 -40.91 88.06 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.804 0.842 . . . . 74.11 111.722 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.47 12.73 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.602 0.761 . . . . 74.22 111.859 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.18 -31.49 71.07 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 113.268 0.84 . . . . 75.02 113.268 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.17 -34.06 75.71 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.074 0.549 . . . . 73.45 111.934 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HE21 ' A' ' 15' ' ' GLN . 86.4 mt -107.62 3.8 25.21 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.597 0.759 . . . . 64.01 112.618 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 59.22 26.73 15.58 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 124.733 1.213 . . . . 64.41 113.585 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -87.61 178.59 6.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.526 1.13 . . . . 62.13 110.688 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -107.2 155.65 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.092 -0.706 . . . . 65.4 109.092 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.76 -26.4 65.66 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.558 0.577 . . . . 63.42 112.558 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -66.35 -49.43 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.944 0.498 . . . . 71.31 110.587 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.61 -43.2 99.39 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.461 0.704 . . . . 63.03 111.606 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.71 -37.29 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.439 0.696 . . . . 63.24 111.496 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.5 -50.0 69.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.399 0.68 . . . . 72.34 111.37 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.15 -38.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.869 0.867 . . . . 74.13 111.066 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.466 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 62.7 t90 -60.63 -58.84 6.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.289 0.636 . . . . 64.02 110.225 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.8 -32.62 65.88 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.105 0.78 . . . . 74.43 113.105 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.58 -51.77 57.2 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 122.838 0.455 . . . . 51.51 111.153 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.74 -43.38 94.27 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.634 0.774 . . . . 71.52 111.442 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -58.52 -50.08 75.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.831 0.853 . . . . 72.5 112.614 179.105 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -67.3 -28.55 68.1 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.693 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.77 -34.53 75.72 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.051 0.94 . . . . 72.52 111.048 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -90.45 -16.32 29.21 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.774 0.83 . . . . 72.05 112.586 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.6 p -90.38 90.73 8.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.455 0.645 . . . . 62.31 110.769 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 148.97 23.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.329 -0.851 . . . . 61.11 108.945 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -64.73 160.28 20.38 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.756 1.021 . . . . 61.11 113.756 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 63.98 29.81 14.28 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.857 1.263 . . . . 75.32 112.42 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -116.16 175.09 5.7 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.835 0.854 . . . . 74.01 111.144 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.93 19.98 1.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.629 0.771 . . . . 65.34 113.0 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -89.21 170.58 10.47 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.016 0.526 . . . . 75.14 110.584 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 24' ' ' SER . 83.2 p -84.28 41.82 0.85 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.472 1.109 . . . . 74.14 112.784 -173.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.78 166.59 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.127 0.971 . . . . 74.42 113.06 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.69 -52.98 0.35 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.788 0.435 . . . . 74.34 110.17 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 CA-C-O 121.597 0.554 . . . . 25.14 113.152 178.433 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 110.396 -0.224 . . . . 71.31 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.88 93.01 0.73 Allowed Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.473 -0.33 . . . . 24.24 113.376 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -110.08 20.43 17.92 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.446 0.698 . . . . 72.13 112.024 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -68.28 130.47 42.99 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.564 0.345 . . . . 75.23 111.536 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -149.31 115.68 5.82 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.653 0.781 . . . . 71.42 110.832 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -81.88 131.62 35.26 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.413 0.685 . . . . 71.55 110.679 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -65.65 119.77 11.75 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.121 0.568 . . . . 61.22 111.581 -173.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -83.2 121.52 27.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 74.31 109.386 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -147.05 143.04 28.07 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.9 0.381 . . . . 74.22 111.866 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -122.54 97.91 5.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.773 0.829 . . . . 72.11 109.661 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.1 mpt? -59.57 143.38 50.45 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.375 1.07 . . . . 64.51 112.962 -174.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t -76.74 159.21 30.35 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.8 0.84 . . . . 74.21 111.065 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.42 -57.08 13.37 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.992 0.917 . . . . 74.41 112.524 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -63.72 -34.52 78.05 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.738 0.815 . . . . 55.33 111.815 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.44 -43.48 90.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.137 0.975 . . . . 65.55 111.83 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.57 -37.17 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.649 0.78 . . . . 61.21 110.593 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.6 mt -54.74 -46.92 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 122.979 0.511 . . . . 74.4 111.137 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -64.98 -42.68 94.33 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.397 0.679 . . . . 53.13 112.342 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.24 -36.93 85.3 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.817 0.847 . . . . 74.34 111.221 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.48 -41.9 88.28 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.66 1.184 . . . . 72.42 111.406 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 82.5 mtp180 -56.53 -47.26 79.75 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.66 0.784 . . . . 71.24 111.017 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 57.6 tptt -66.58 -41.82 87.95 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.455 -0.793 . . . . 75.5 111.362 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.88 -36.77 84.34 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.758 0.823 . . . . 73.43 111.93 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -65.86 -34.06 77.27 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.745 0.818 . . . . 71.53 112.837 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -82.92 -32.75 27.07 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.003 0.365 . . . . 72.55 111.423 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -157.63 134.21 9.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.099 0.559 . . . . 73.54 111.306 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -77.25 -47.26 20.6 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.959 0.504 . . . . 44.44 110.961 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -97.96 135.81 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.033 0.933 . . . . 73.44 110.529 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.34 154.87 17.85 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.168 0.509 . . . . 71.24 111.609 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.9 m -89.34 164.9 14.7 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.846 -0.798 . . . . 62.53 108.846 165.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.63 98.32 Favored Pre-proline 0 CA--C 1.572 1.817 0 N-CA-C 113.026 0.75 . . . . 73.14 113.026 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.83 -41.79 43.09 Favored 'Trans proline' 0 C--N 1.391 2.809 0 C-N-CA 122.032 1.822 . . . . 73.42 113.409 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.09 -42.11 97.04 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.357 0.663 . . . . 70.12 112.087 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -67.98 -40.94 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.384 0.674 . . . . 73.51 111.79 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.93 97.41 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.249 0.619 . . . . 63.21 111.73 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.75 -47.72 79.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.711 0.804 . . . . 70.24 111.517 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 41.9 tp -64.61 -37.94 89.3 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.641 0.776 . . . . 64.31 110.874 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.75 -55.62 28.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.973 0.909 . . . . 65.35 112.029 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -63.26 -39.49 94.74 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.631 0.604 . . . . 74.14 112.631 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.36 -38.29 90.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.383 0.673 . . . . 74.1 112.058 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.99 1.45 56.26 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.342 0.657 . . . . 75.53 111.922 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 62.79 17.7 10.1 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.751 1.22 . . . . 71.14 113.603 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.0 mt -82.89 -179.12 7.35 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.064 0.945 . . . . 71.5 110.45 171.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -113.25 167.44 10.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.407 0.683 . . . . 71.25 110.006 170.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.14 -24.32 66.19 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.753 0.421 . . . . 61.4 111.932 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.5 m -67.17 -55.26 14.89 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.107 0.563 . . . . 63.34 110.069 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.64 -53.85 53.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.188 0.995 . . . . 73.34 112.45 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -40.05 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 C-N-CA 123.271 0.628 . . . . 74.12 112.053 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -60.21 -50.45 73.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.661 0.384 . . . . 73.51 110.955 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.82 -40.13 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.541 0.736 . . . . 63.42 111.375 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -60.42 -59.77 4.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.096 0.558 . . . . 74.42 111.386 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.88 -34.55 71.77 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.278 0.631 . . . . 74.23 112.648 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.45 -48.56 79.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.92 0.888 . . . . 74.43 110.806 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.38 -45.35 93.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.894 0.878 . . . . 51.4 111.395 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -35.71 72.6 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.966 0.728 . . . . 74.12 112.966 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 -78.25 -36.75 46.5 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.897 0.38 . . . . 75.11 111.315 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' HD2' ' HE3' ' A' ' 58' ' ' LYS . 73.2 t80 -68.38 -34.44 76.06 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.062 0.945 . . . . 75.35 111.456 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 10.2 mmpt? -88.07 -7.49 56.92 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.442 1.097 . . . . 71.31 112.002 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -109.4 -0.56 18.92 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.527 0.731 . . . . 53.43 110.628 171.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -65.09 -24.86 67.56 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.97 0.908 . . . . 73.53 111.051 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.5 ptt85 -66.37 -160.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.275 1.03 . . . . 74.42 111.716 168.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -59.48 161.72 5.56 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.308 0.643 . . . . 65.15 111.332 168.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.53 178.74 0.28 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.477 1.288 . . . . 72.54 114.477 -168.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -51.95 -46.0 64.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.881 1.272 . . . . 75.3 113.137 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -80.3 81.5 6.55 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.201 0.601 . . . . 73.11 110.523 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -90.22 -168.01 2.0 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.09 0.956 . . . . 61.12 111.014 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -85.3 -0.33 54.41 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.713 0.805 . . . . 74.54 112.417 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.4 mt -69.81 132.8 46.61 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.409 0.684 . . . . 72.21 111.548 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.328 0 CA-C-O 121.387 0.437 . . . . 63.31 113.273 -177.616 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 120.44 0.162 . . . . 75.21 111.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.43 -60.19 4.02 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 113.721 0.248 . . . . 50.33 113.721 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -140.9 103.92 4.58 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.853 0.861 . . . . 73.34 109.848 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -77.01 83.16 3.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.593 0.711 . . . . 64.23 111.126 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -68.15 108.6 3.2 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.095 0.474 . . . . 61.41 110.637 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -56.64 121.98 11.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.87 0.868 . . . . 74.0 112.167 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -70.41 104.03 2.6 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 122.586 0.354 . . . . 74.3 110.117 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -97.13 125.31 41.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.011 0.524 . . . . 60.22 110.383 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.8 p -145.65 143.1 29.63 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.386 0.674 . . . . 63.04 109.571 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -65.04 91.65 0.1 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.725 0.81 . . . . 74.43 112.413 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.9 mtt -137.36 142.09 41.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.961 0.904 . . . . 43.24 109.966 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -75.54 153.57 37.35 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 116.033 -0.531 . . . . 55.53 109.787 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.419 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.9 t60 -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.717 0.407 . . . . 72.44 110.675 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.7 m -64.3 -38.17 90.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.334 0.654 . . . . 53.54 110.76 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -47.35 85.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.752 0.821 . . . . 71.43 111.252 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.49 -39.77 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-N 116.061 -0.518 . . . . 74.33 111.046 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 13' ' ' HIS . 79.6 mt -59.02 -46.12 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 122.941 0.496 . . . . 41.34 111.084 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.4 -43.25 99.19 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.523 0.729 . . . . 73.41 111.609 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -41.92 94.3 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 123.851 0.86 . . . . 64.2 111.39 173.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.01 -35.87 77.15 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.132 0.973 . . . . 63.12 112.104 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.96 -38.34 82.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.409 0.684 . . . . 62.23 110.655 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 37' ' ' LEU . 16.1 tppt? -73.2 -45.18 57.78 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.131 0.573 . . . . 63.44 110.962 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.82 -37.43 79.17 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.473 1.109 . . . . 72.12 111.656 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -61.89 -39.06 90.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.232 1.013 . . . . 73.33 112.579 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.11 -34.17 20.7 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.038 0.535 . . . . 73.34 111.798 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' HD23 ' A' ' 29' ' ' LEU . 19.7 pt20 -152.06 133.31 14.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.717 0.807 . . . . 72.03 110.846 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB3' HH11 ' A' ' 56' ' ' ARG . 46.8 mmtm -86.14 -20.22 28.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.74 0.816 . . . . 73.22 112.007 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -123.49 129.02 50.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.808 0.843 . . . . 64.33 110.576 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ARG . 85.8 mt -99.2 137.18 38.08 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.572 0.749 . . . . 72.03 110.991 174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 m -74.41 162.09 29.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.99 -0.744 . . . . 74.33 108.99 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.68 -45.79 98.57 Favored Pre-proline 0 CA--C 1.575 1.936 0 N-CA-C 113.929 1.085 . . . . 63.24 113.929 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -59.75 -45.37 25.41 Favored 'Trans proline' 0 C--N 1.39 2.737 0 C-N-CA 122.022 1.814 . . . . 52.13 113.725 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.47 -38.95 85.19 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.37 0.668 . . . . 70.32 111.876 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' A' ' 29' ' ' LEU . 47.7 ttp180 -69.36 -40.8 77.26 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.048 0.939 . . . . 72.25 111.304 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.76 90.6 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.532 0.733 . . . . 74.52 111.577 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.61 -39.52 91.63 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.997 0.919 . . . . 75.05 111.386 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.1 tp -74.75 -42.56 58.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.934 0.493 . . . . 74.12 110.94 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.8 90.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.599 0.76 . . . . 63.33 112.383 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -65.95 -33.09 75.02 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.73 0.641 . . . . 73.24 112.73 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -61.72 -36.74 81.81 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.023 0.529 . . . . 54.14 111.419 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.26 11.77 23.42 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.524 0.73 . . . . 62.23 112.025 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 55.7 17.44 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 114.304 1.224 . . . . 74.12 114.304 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.6 175.35 10.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.882 0.873 . . . . 70.44 110.402 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -102.21 157.33 16.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.877 -0.786 . . . . 62.44 108.877 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.83 -39.8 62.79 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 112.937 0.718 . . . . 74.33 112.937 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -65.67 -43.22 89.98 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.875 0.47 . . . . 73.13 111.732 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -57.3 -48.51 78.76 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.21 0.604 . . . . 75.3 111.761 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.92 -49.54 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.646 0.778 . . . . 71.33 111.735 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.13 80.89 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.435 0.694 . . . . 72.45 111.891 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.97 -34.36 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 118.922 -0.561 . . . . 54.15 110.711 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.5 t90 -56.25 -55.34 34.5 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.227 0.467 . . . . 72.43 109.777 172.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -49.66 -44.31 47.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.836 0.855 . . . . 63.12 111.856 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.69 -39.98 95.69 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 123.545 0.738 . . . . 74.45 112.151 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -64.15 -42.83 96.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.581 0.752 . . . . 65.33 110.433 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 12.0 mmm180 -69.43 -29.84 67.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.208 1.003 . . . . 74.32 112.54 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' A' ' 27' ' ' LYS . 66.2 mtp85 -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.099 0.476 . . . . 71.32 110.796 170.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.17 -26.9 63.18 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 123.555 0.742 . . . . 73.43 110.703 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 41.2 mtpt -77.63 -24.44 49.51 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.893 0.477 . . . . 75.2 110.946 173.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -69.84 119.03 13.45 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.312 -0.996 . . . . 74.32 108.312 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -57.92 109.75 0.79 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.816 0.817 . . . . 54.15 112.269 -170.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -70.53 82.87 0.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.922 -1.035 . . . . 55.15 109.136 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -167.03 -42.48 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.331 -1.304 . . . . 75.54 109.373 -166.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.08 159.64 16.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.372 -0.831 . . . . 75.14 111.894 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.57 -53.66 48.55 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.202 1.001 . . . . 73.34 112.348 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -95.03 88.31 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.767 0.827 . . . . 62.03 111.239 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.9 p -156.72 -179.9 8.63 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.606 0.763 . . . . 72.23 110.547 173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -87.09 95.86 10.09 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.782 0.66 . . . . 74.42 112.782 -171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 68' ' ' LEU . 2.3 pt? -121.81 118.43 28.98 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.323 1.049 . . . . 75.34 109.929 171.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.416 0 C-N-CA 123.483 0.563 . . . . 72.55 113.086 -175.179 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 110.311 -0.255 . . . . 74.52 110.311 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.67 -139.02 10.29 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-O 119.806 -0.441 . . . . 73.2 113.362 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 59.09 40.52 21.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.844 1.258 . . . . 64.32 111.863 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.84 106.37 12.8 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.07 0.548 . . . . 61.32 110.982 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -84.21 115.54 22.49 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.715 0.806 . . . . 71.44 109.548 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -79.23 150.01 31.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.538 0.735 . . . . 64.1 111.294 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -82.07 -28.32 32.45 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.898 0.479 . . . . 71.13 111.065 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -70.96 118.69 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.255 -0.646 . . . . 73.42 109.255 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -58.29 130.75 48.16 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.586 0.755 . . . . 61.34 111.782 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -113.09 163.85 14.21 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.564 0.746 . . . . 72.24 111.071 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.6 mpt? -62.3 157.24 20.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.803 0.841 . . . . 52.14 112.956 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 t -79.19 163.9 24.64 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.637 -0.711 . . . . 53.11 110.175 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -56.68 -56.57 19.81 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 113.08 0.77 . . . . 75.43 113.08 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.8 m -65.49 -30.55 71.34 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 122.984 0.514 . . . . 54.12 111.773 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -66.33 -42.37 88.27 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.295 0.638 . . . . 73.31 111.293 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 12' ' ' SER . 98.3 t -60.95 -40.99 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.55 0.74 . . . . 42.12 109.992 172.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' THR . 78.6 mt -55.52 -49.57 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.412 0.685 . . . . 74.23 111.263 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.03 -41.03 99.43 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.557 0.743 . . . . 73.14 112.179 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 37' ' ' LEU . 76.6 mt -63.01 -39.95 96.31 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.398 -0.819 . . . . 75.41 111.275 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -68.79 -36.15 77.92 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.007 0.923 . . . . 73.44 111.624 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.04 -51.32 69.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.444 0.698 . . . . 63.15 110.319 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.557 ' HG2' HD22 ' A' ' 37' ' ' LEU . 55.0 tptt -61.89 -40.27 94.84 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 123.332 0.653 . . . . 53.25 111.129 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.29 -36.28 81.63 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.724 1.209 . . . . 74.04 111.013 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -63.42 -44.64 94.02 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.489 0.716 . . . . 75.22 111.901 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -77.08 -31.78 56.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.31 0.244 . . . . 74.43 111.177 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.41 136.05 10.34 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.432 0.693 . . . . 74.22 111.288 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -84.5 -32.0 24.19 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.006 0.922 . . . . 74.42 111.299 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.48 121.57 44.9 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.881 0.872 . . . . 72.33 110.587 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.47 139.27 32.0 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.167 0.587 . . . . 64.15 110.476 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -78.76 171.88 14.53 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.428 -0.582 . . . . 72.01 109.428 169.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.36 99.15 Favored Pre-proline 0 CA--C 1.573 1.827 0 N-CA-C 113.678 0.992 . . . . 64.31 113.678 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.12 -33.09 26.03 Favored 'Trans proline' 0 C--N 1.388 2.652 0 CA-C-N 121.209 1.467 . . . . 73.4 113.09 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.77 -43.18 59.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.821 0.848 . . . . 62.22 112.016 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.47 -40.29 89.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.645 0.778 . . . . 74.24 110.885 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.19 88.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.375 0.67 . . . . 53.34 111.631 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -65.61 -42.57 91.44 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.122 0.569 . . . . 73.23 111.208 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HG2' ' A' ' 22' ' ' LYS . 58.7 tp -65.9 -43.05 89.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.565 0.746 . . . . 75.53 110.878 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.76 30.69 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.655 0.782 . . . . 40.13 112.247 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.23 83.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.492 0.553 . . . . 73.55 112.492 -174.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.65 -35.09 79.39 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.303 0.641 . . . . 74.51 112.087 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -98.63 10.05 41.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.602 0.761 . . . . 62.44 111.566 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 60.38 12.97 3.73 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.912 1.285 . . . . 74.31 113.498 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.86 177.85 7.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.493 1.117 . . . . 71.35 111.656 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -107.47 156.84 18.53 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.615 0.766 . . . . 73.13 109.613 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.09 -29.52 65.52 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.174 0.59 . . . . 73.22 112.401 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -63.38 -56.47 16.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.248 0.619 . . . . 63.43 110.481 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.5 -44.46 96.32 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.469 0.707 . . . . 74.45 112.656 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -42.78 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.036 0.534 . . . . 62.4 110.971 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.07 -38.49 91.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.069 0.548 . . . . 74.25 111.752 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.28 -48.61 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.326 0.651 . . . . 74.33 110.564 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 86.5 t90 -58.49 -51.56 69.34 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.112 0.565 . . . . 74.03 110.54 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.03 -42.25 76.21 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.606 0.762 . . . . 64.11 111.968 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.44 -49.02 73.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.69 0.796 . . . . 73.12 111.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 16.8 m-80 -61.6 -40.64 95.55 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.402 0.681 . . . . 65.22 110.89 174.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -63.88 -35.32 80.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.593 0.757 . . . . 75.3 111.562 178.409 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -72.07 -27.62 62.79 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.302 1.041 . . . . 74.14 111.161 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -73.37 -27.53 61.53 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 123.764 0.826 . . . . 72.43 110.732 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HD2' ' HD2' ' A' ' 55' ' ' ARG . 62.4 mttm -85.78 -22.51 27.65 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.643 0.777 . . . . 74.12 112.845 -178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 55' ' ' ARG . 14.6 t -123.42 143.58 50.04 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 118.267 0.485 . . . . 64.01 112.257 -176.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 46.27 62.43 2.28 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.141 1.377 . . . . 75.21 112.573 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HD3' ' H ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -135.16 177.76 7.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.677 0.791 . . . . 75.1 111.176 -171.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -108.84 148.06 31.16 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.942 0.897 . . . . 71.44 110.156 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -75.36 -59.91 2.53 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.182 0.515 . . . . 71.23 110.198 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.3 -54.6 1.88 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.531 1.133 . . . . 73.2 108.747 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 p -128.3 -49.89 1.3 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.148 0.979 . . . . 55.13 110.335 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.1 p -159.75 147.48 16.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.752 0.821 . . . . 54.54 109.895 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -85.4 45.66 1.21 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.518 0.675 . . . . 74.15 111.545 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.1 tp -83.59 132.54 34.9 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.993 0.917 . . . . 74.23 110.233 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.26 0 CA-C-O 120.979 0.211 . . . . 73.35 112.942 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.485 0.183 . . . . 74.45 111.36 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.27 45.17 20.19 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 113.961 0.344 . . . . 61.01 113.961 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -93.36 9.82 34.77 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.17 0.804 . . . . 70.44 113.17 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -106.29 109.7 21.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.713 0.405 . . . . 63.42 110.394 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -165.66 -177.49 4.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.593 0.757 . . . . 75.31 110.968 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -83.95 157.78 21.79 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.335 0.654 . . . . 75.42 111.874 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -82.17 -71.54 0.48 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.176 0.59 . . . . 55.35 111.348 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -74.88 -36.86 62.26 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.041 0.536 . . . . 74.24 111.94 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -73.83 77.89 1.6 Allowed 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.849 0.833 . . . . 60.15 109.432 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -169.41 112.44 0.5 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 114.557 -1.201 . . . . 65.02 109.633 -169.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -60.26 151.82 26.45 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 123.381 0.672 . . . . 74.31 111.598 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.5 m -69.45 154.15 42.46 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 118.981 -0.533 . . . . 74.43 110.753 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -50.18 -59.54 3.83 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.5 0.72 . . . . 75.33 112.493 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -67.32 -30.41 70.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.792 0.437 . . . . 74.04 111.927 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -63.63 -43.67 96.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.992 0.517 . . . . 73.22 111.371 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.14 -37.75 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 119.044 -0.503 . . . . 74.03 110.292 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 45.3 mm -54.82 -49.6 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 122.628 0.371 . . . . 71.34 110.452 175.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 17.1 mm-40 -64.12 -43.52 95.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.901 0.881 . . . . 71.55 112.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.01 -40.7 90.19 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.695 0.798 . . . . 74.05 111.336 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.94 -33.66 70.72 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.659 1.184 . . . . 63.12 111.655 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 81.1 mtp180 -58.29 -48.0 81.86 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.487 0.715 . . . . 72.54 110.897 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.3 tptm -74.7 -34.67 62.65 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.314 -0.857 . . . . 73.23 111.595 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.59 -40.25 88.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.476 0.71 . . . . 74.43 111.033 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.5 m -71.56 -26.03 62.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.279 0.632 . . . . 72.42 111.168 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -74.1 -41.0 62.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.74 . . . . 61.24 110.618 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -162.54 135.52 5.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.478 1.111 . . . . 70.31 109.787 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.51 -24.11 36.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 75.34 111.116 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -123.0 124.52 43.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.809 0.844 . . . . 74.51 110.58 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.98 154.64 18.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.683 0.793 . . . . 75.12 110.978 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -85.76 174.99 8.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.23 0.612 . . . . 74.21 109.495 166.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.46 98.62 Favored Pre-proline 0 CA--C 1.567 1.596 0 CA-C-O 118.754 -0.641 . . . . 72.03 112.378 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.61 -48.05 12.13 Favored 'Trans proline' 0 C--N 1.389 2.671 0 C-N-CA 121.658 1.572 . . . . 72.11 113.088 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -59.6 -39.7 85.07 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.984 0.914 . . . . 72.11 113.357 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -70.36 -39.74 74.44 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.608 0.763 . . . . 53.45 110.654 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -37.95 81.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.626 0.771 . . . . 73.22 111.592 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.47 -57.12 13.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.223 0.609 . . . . 72.44 109.763 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 ' HG2' ' A' ' 22' ' ' LYS . 32.6 tp -62.36 -37.53 86.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.111 0.564 . . . . 75.12 111.711 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.35 -57.63 11.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.334 0.654 . . . . 54.3 111.322 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.65 -28.41 66.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.245 0.461 . . . . 74.44 112.245 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.89 -38.57 88.83 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.579 0.752 . . . . 63.2 111.777 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -108.9 10.9 26.33 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.63 0.772 . . . . 74.41 112.649 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.12 28.93 13.72 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.586 1.154 . . . . 72.14 113.046 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.6 174.54 7.46 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.419 1.088 . . . . 71.12 110.297 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.0 p -103.7 154.23 19.77 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.796 -0.816 . . . . 65.43 108.796 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.19 -19.63 61.82 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.747 0.419 . . . . 53.23 111.973 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -70.74 -52.7 19.16 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.612 0.765 . . . . 75.14 110.753 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -62.61 -41.31 98.92 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.746 0.818 . . . . 73.0 112.398 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.37 -39.88 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.328 0.651 . . . . 71.5 111.007 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.71 -48.65 79.82 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.505 0.722 . . . . 73.21 111.902 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.39 -46.79 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.777 0.831 . . . . 73.3 110.524 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 79.8 t90 -54.91 -59.93 4.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.524 0.73 . . . . 74.22 109.866 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.3 m-85 -49.16 -44.42 42.77 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.964 0.906 . . . . 62.44 112.584 176.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -56.26 -55.33 34.55 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.362 0.665 . . . . 74.4 112.105 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -64.21 -38.57 91.51 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.842 0.457 . . . . 73.15 111.893 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 24.4 mmm180 -65.89 -32.39 73.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.709 0.633 . . . . 70.3 112.709 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 65.2 mtt180 -63.37 -38.74 92.31 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.766 0.426 . . . . 74.43 110.37 172.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.66 -31.77 70.04 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.0 0.92 . . . . 75.5 111.729 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 10.6 mmpt? -77.85 -34.48 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.476 0.711 . . . . 75.12 112.17 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p -98.06 -3.12 38.68 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.501 0.72 . . . . 73.33 110.851 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -67.41 148.29 51.78 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.329 0.652 . . . . 74.13 110.353 169.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -55.5 130.79 44.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.662 0.785 . . . . 75.04 110.872 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.65 80.31 0.6 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.635 0.774 . . . . 71.44 111.795 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.41 168.85 9.4 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.291 1.036 . . . . 73.14 109.953 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.03 -17.46 64.42 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.641 0.776 . . . . 60.02 112.155 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t 72.14 -68.85 0.21 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.473 1.509 . . . . 74.12 111.839 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.9 m -112.73 -176.56 2.93 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.861 0.864 . . . . 73.44 110.948 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -94.52 100.25 12.26 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.893 0.877 . . . . 63.33 110.654 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.85 99.12 11.6 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.798 0.839 . . . . 74.14 109.815 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.418 0 CA-C-N 116.412 -0.358 . . . . 65.51 112.829 -179.203 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.029 -0.034 . . . . 72.53 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.46 -135.46 33.66 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 123.61 0.569 . . . . 62.2 114.214 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -102.54 131.37 49.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.883 0.873 . . . . 73.14 110.002 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -70.13 102.99 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.432 0.693 . . . . 73.14 110.513 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -77.46 158.21 30.09 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.672 0.389 . . . . 65.35 111.637 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -82.54 170.08 15.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.3 0.64 . . . . 70.43 112.191 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -89.79 138.35 31.56 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.22 1.008 . . . . 75.4 110.846 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -69.22 84.26 0.37 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-O 121.18 0.514 . . . . 62.14 109.936 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -90.09 35.08 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.864 0.866 . . . . 54.13 111.808 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -90.22 28.94 1.32 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.816 0.846 . . . . 74.34 111.341 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.4 mtt -148.59 149.14 31.04 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.542 1.537 . . . . 45.13 109.128 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -89.36 165.38 14.41 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.661 0.384 . . . . 54.34 110.641 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.22 -50.92 69.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.296 0.638 . . . . 72.53 111.976 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.4 m -68.74 -32.65 72.57 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.139 0.576 . . . . 75.12 111.087 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -62.85 -43.07 99.79 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.598 0.759 . . . . 71.42 111.193 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 19' ' ' LEU . 47.5 t -62.8 -35.63 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.467 0.707 . . . . 72.32 111.229 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.25 -47.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 122.787 0.435 . . . . 71.51 110.504 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.44 -43.65 84.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.419 0.688 . . . . 73.13 111.231 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.0 mt -59.36 -39.28 82.73 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 123.872 0.869 . . . . 65.54 111.053 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 44.9 mt-10 -70.28 -25.9 63.56 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.209 1.004 . . . . 73.21 112.726 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -62.51 -48.08 81.15 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 118.151 0.432 . . . . 71.14 110.993 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD22 ' A' ' 37' ' ' LEU . 49.4 tptt -69.4 -37.12 77.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.181 0.592 . . . . 72.02 110.966 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -68.94 -32.57 72.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.579 1.152 . . . . 71.54 111.267 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -61.85 -39.68 92.71 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.847 0.859 . . . . 54.34 111.586 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -73.24 -44.69 59.03 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.384 0.673 . . . . 63.1 111.029 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.19 145.51 18.05 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.417 0.627 . . . . 70.24 112.029 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.8 -22.82 25.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.362 1.065 . . . . 63.32 112.191 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -125.74 109.68 12.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.878 0.871 . . . . 71.33 110.195 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.88 145.81 25.87 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.258 0.551 . . . . 74.51 112.053 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -86.46 171.68 10.93 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.816 -0.629 . . . . 60.04 109.438 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.82 92.81 Favored Pre-proline 0 CA--C 1.577 2.003 0 N-CA-C 114.29 1.218 . . . . 62.21 114.29 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.9 -56.19 0.84 Allowed 'Trans proline' 0 C--N 1.389 2.694 0 C-N-CA 121.82 1.68 . . . . 74.15 113.7 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.71 -37.86 88.95 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.827 0.851 . . . . 60.0 112.978 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.49 -38.86 92.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.291 0.636 . . . . 64.11 111.3 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.32 73.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.566 0.746 . . . . 51.5 112.203 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -63.52 -49.2 74.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.964 0.505 . . . . 73.31 110.783 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.6 tp -64.56 -38.84 92.39 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.199 0.6 . . . . 74.11 111.22 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.35 22.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.798 0.839 . . . . 51.13 112.279 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -63.86 -35.27 80.1 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 112.818 0.673 . . . . 75.43 112.818 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -64.47 -26.61 68.51 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 112.65 0.611 . . . . 70.31 112.65 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -111.71 15.15 21.11 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 113.339 0.866 . . . . 73.23 113.339 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 56.42 19.74 4.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.237 0.828 . . . . 74.4 113.237 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -92.09 178.35 5.89 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.054 0.942 . . . . 74.31 110.439 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -114.81 166.16 12.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.315 0.646 . . . . 75.25 109.567 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.18 -27.76 69.59 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.04 0.536 . . . . 71.41 110.903 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -63.54 -55.69 21.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.636 0.774 . . . . 71.42 110.447 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.45 -49.18 78.6 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.968 0.907 . . . . 73.43 112.087 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.36 -37.75 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.692 0.797 . . . . 61.45 111.468 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -68.05 -38.84 82.95 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.426 0.291 . . . . 74.12 111.326 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.69 -49.58 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.003 0.521 . . . . 74.2 110.354 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 83.8 t90 -59.23 -54.89 41.72 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-O 119.009 -0.52 . . . . 72.22 111.111 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -57.37 -38.37 74.11 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.949 0.722 . . . . 72.14 112.949 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.84 -54.03 41.33 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.622 0.769 . . . . 75.12 111.405 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' HD22 ' A' ' 54' ' ' ASN . 0.8 OUTLIER -65.11 -43.38 92.21 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.306 1.043 . . . . 73.45 111.421 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' THR . 13.6 tpt180 -62.56 -45.66 91.9 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.407 1.083 . . . . 72.44 111.159 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -63.38 -38.04 89.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.449 0.7 . . . . 62.4 109.799 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.3 -32.63 74.39 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.702 0.401 . . . . 74.31 111.601 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.84 -6.89 57.03 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.68 0.993 . . . . 74.01 113.68 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 55' ' ' ARG . 66.6 p -77.82 15.59 0.83 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 112.774 0.657 . . . . 71.42 112.774 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -67.31 82.12 0.14 Allowed 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.786 0.803 . . . . 74.12 110.769 172.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -155.14 -43.88 0.08 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 114.589 -1.187 . . . . 74.12 109.44 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -115.03 136.29 53.29 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.375 1.07 . . . . 74.24 109.173 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -48.87 138.29 11.5 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.965 0.906 . . . . 73.12 112.965 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 tp -63.51 -18.8 64.19 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.211 1.005 . . . . 74.35 112.171 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -57.09 -29.17 63.28 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.364 1.066 . . . . 75.22 112.162 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.4 p -70.2 -39.53 75.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.131 0.572 . . . . 71.42 111.141 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.9 -39.48 69.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.261 0.624 . . . . 74.35 111.195 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.74 93.25 4.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.349 0.66 . . . . 53.2 110.229 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.251 0 CA-C-N 116.052 -0.522 . . . . 23.25 112.307 175.356 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 110.299 -0.259 . . . . 70.03 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.86 72.36 2.62 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.467 -0.253 . . . . 50.31 112.467 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -86.56 -11.64 50.98 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 124.064 0.946 . . . . 74.52 113.047 -172.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -55.79 -28.65 57.22 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.318 1.229 . . . . 70.33 114.318 -173.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -64.54 115.96 5.69 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.161 0.505 . . . . 62.43 110.333 175.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -157.67 141.54 15.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.078 0.551 . . . . 74.5 110.412 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -90.61 146.06 24.36 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.475 0.71 . . . . 71.53 111.565 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -116.13 81.84 1.68 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.922 0.889 . . . . 52.24 109.836 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -69.18 102.72 1.74 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 71.23 112.475 -172.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -104.69 131.87 51.61 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.933 0.493 . . . . 72.31 109.855 175.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.44 166.84 7.73 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 122.773 0.429 . . . . 71.22 111.101 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 t -66.0 148.96 51.0 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 118.683 -0.675 . . . . 73.14 109.664 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.73 -48.84 74.51 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.474 0.579 . . . . 74.4 112.522 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -63.69 -39.31 94.01 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.859 0.463 . . . . 60.12 110.823 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 41' ' ' LEU . 62.9 tt0 -63.02 -44.21 96.59 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.291 1.036 . . . . 71.13 112.11 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.84 -42.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.632 0.773 . . . . 73.52 110.215 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 85.7 mt -59.01 -40.31 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 123.703 0.801 . . . . 64.52 111.33 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.0 mm-40 -64.57 -44.81 89.51 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.21 0.604 . . . . 72.51 110.967 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.06 -36.61 77.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.097 0.959 . . . . 73.41 111.125 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.133 0.973 . . . . 73.15 112.313 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 44.2 mtm180 -68.34 -30.81 69.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 120.729 0.3 . . . . 64.15 111.032 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -77.14 -42.05 39.36 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.288 0.635 . . . . 44.11 110.138 172.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.77 -42.07 97.85 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.783 1.233 . . . . 74.32 112.568 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -66.77 -22.04 66.04 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.966 0.906 . . . . 73.22 112.961 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -93.89 -37.22 11.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.825 0.45 . . . . 72.4 111.023 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.13 128.56 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.813 0.816 . . . . 75.43 111.404 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -81.44 -24.49 36.81 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.417 -0.811 . . . . 73.3 111.418 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -117.9 136.98 53.12 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.373 1.069 . . . . 63.05 110.919 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.87 145.4 30.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.768 0.827 . . . . 72.3 111.125 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.6 m -83.32 169.6 15.49 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.68 -0.489 . . . . 73.05 109.68 168.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.53 99.26 Favored Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 113.71 1.004 . . . . 64.45 113.71 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.62 -49.13 12.61 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 121.837 1.691 . . . . 73.5 112.96 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.48 -43.64 98.5 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.949 0.899 . . . . 53.42 112.794 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.05 -37.6 75.59 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.479 -0.782 . . . . 71.54 111.603 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.03 90.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.461 0.704 . . . . 31.12 111.864 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -64.9 -46.59 81.08 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.98 0.512 . . . . 70.1 111.98 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.0 tp -63.33 -33.86 76.45 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.807 0.443 . . . . 63.02 111.188 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.81 -57.16 8.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.401 0.681 . . . . 71.21 112.149 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.8 -40.32 96.37 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.557 0.577 . . . . 74.43 112.557 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -66.5 -33.02 74.75 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.367 0.667 . . . . 65.34 112.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HB3' HE21 ' A' ' 15' ' ' GLN . 90.3 mt -102.14 11.82 37.73 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.298 0.639 . . . . 73.35 111.917 175.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mptt 59.41 16.69 5.34 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.907 1.283 . . . . 73.03 113.889 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -86.89 -179.05 6.45 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.915 0.886 . . . . 60.11 110.329 173.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -110.0 160.0 16.8 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.027 -0.731 . . . . 73.41 109.027 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.35 -34.98 64.72 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.301 0.641 . . . . 72.04 111.428 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 85.1 m -62.26 -52.23 64.57 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.434 0.694 . . . . 74.02 111.06 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.63 -44.98 95.97 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.803 0.841 . . . . 74.3 112.305 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.73 -42.8 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.431 0.692 . . . . 72.33 111.248 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.84 -42.43 97.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.068 0.547 . . . . 73.25 111.488 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 99.5 mt -62.56 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.718 0.807 . . . . 63.3 110.533 178.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -57.85 -56.86 16.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.316 0.646 . . . . 73.14 110.481 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -56.39 -38.24 71.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.879 0.872 . . . . 72.23 112.715 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' HG2' ' A' ' 63' ' ' GLN . 29.9 tt0 -64.4 -54.56 30.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.501 0.72 . . . . 41.41 111.302 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 35.7 m-80 -61.37 -40.83 95.74 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.538 0.735 . . . . 72.21 112.036 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -60.23 -44.32 95.3 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.529 0.566 . . . . 74.14 112.529 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -69.9 -28.27 65.49 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.023 0.44 . . . . 72.33 110.817 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HD1' ' H ' ' A' ' 63' ' ' GLN . 39.2 t80 -76.92 -24.27 52.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.593 0.757 . . . . 73.12 111.497 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 54' ' ' ASN . 8.8 mtpm? -77.53 -6.96 55.46 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.568 0.747 . . . . 34.44 111.588 175.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 t -116.83 -162.78 0.87 Allowed 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 109.025 -0.732 . . . . 74.13 109.025 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.12 -12.18 53.95 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 114.87 1.433 . . . . 72.15 114.87 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -87.15 93.42 9.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.897 0.38 . . . . 74.22 111.422 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.13 107.34 11.82 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.705 0.402 . . . . 65.45 110.325 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.453 ' HG2' ' HG3' ' A' ' 53' ' ' GLN . 2.1 mp0 -67.63 142.77 56.31 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.52 0.728 . . . . 73.33 111.37 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.49 -57.82 5.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.06 -0.718 . . . . 74.13 109.06 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t 68.94 152.6 0.09 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 125.328 1.451 . . . . 61.03 113.037 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -68.89 -28.11 66.4 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.284 0.634 . . . . 74.11 111.651 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.62 115.46 10.83 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.56 0.744 . . . . 72.33 110.882 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.2 169.17 18.12 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.563 0.745 . . . . 71.43 112.275 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.936 0 CA-C-N 115.67 -0.695 . . . . 73.43 113.436 178.016 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.958 0.409 . . . . 61.11 111.766 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.14 111.83 2.85 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 111.591 -0.604 . . . . 53.24 111.591 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -75.27 97.31 3.52 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 122.989 0.515 . . . . 74.32 110.907 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -74.92 124.66 27.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.421 0.688 . . . . 63.33 112.165 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -85.3 133.77 34.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.505 0.722 . . . . 72.43 110.375 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -161.41 105.96 1.3 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.223 1.009 . . . . 73.43 110.184 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -79.8 131.39 35.89 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.659 0.784 . . . . 74.25 112.275 -172.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.3 117.44 29.03 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.741 0.816 . . . . 75.42 109.847 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 t -72.79 92.78 1.61 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.949 0.5 . . . . 75.24 110.972 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -78.83 86.31 4.75 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.479 0.657 . . . . 73.34 109.782 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.2 mtm -69.6 165.64 20.69 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.955 -1.021 . . . . 64.5 112.413 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 m -74.96 148.83 39.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.142 0.577 . . . . 61.44 110.939 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 84.8 t60 -60.22 -46.24 90.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.137 0.575 . . . . 70.41 111.41 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 17' ' ' ILE . 35.0 m -64.66 -34.75 79.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.473 0.709 . . . . 34.12 111.201 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.73 -41.51 83.37 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.644 0.778 . . . . 64.42 111.732 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.531 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.5 t -64.57 -33.67 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 122.999 0.519 . . . . 75.1 110.999 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.3 mt -57.28 -47.16 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 122.99 0.516 . . . . 53.23 110.197 171.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.46 -41.28 98.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.749 0.82 . . . . 75.33 112.045 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 16' ' ' VAL . 60.6 mt -59.15 -40.85 86.8 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.76 0.824 . . . . 53.23 111.093 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.54 -26.66 60.11 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.923 0.889 . . . . 64.3 112.463 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.8 mtp180 -60.85 -36.34 78.9 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.005 0.522 . . . . 52.42 110.827 171.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -83.0 -37.87 23.41 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.588 -0.733 . . . . 65.44 110.709 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.33 -37.39 85.24 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.347 1.059 . . . . 70.42 112.556 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.1 p -64.79 -29.16 70.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.583 0.753 . . . . 53.14 112.578 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -85.26 -35.84 21.29 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.923 0.489 . . . . 63.22 110.914 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -154.91 131.86 10.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.268 0.627 . . . . 70.14 110.623 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -75.61 -18.71 59.62 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.763 0.825 . . . . 74.25 112.213 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -141.2 137.69 32.82 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.004 0.922 . . . . 74.33 110.554 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -95.5 166.17 11.99 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.968 0.907 . . . . 42.35 112.159 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -89.2 163.78 15.26 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.294 -1.002 . . . . 71.43 108.294 165.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.59 99.72 Favored Pre-proline 0 CA--C 1.569 1.676 0 N-CA-C 113.199 0.814 . . . . 54.12 113.199 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.57 -42.38 55.06 Favored 'Trans proline' 0 C--N 1.393 2.873 0 C-N-CA 122.041 1.827 . . . . 75.44 113.858 172.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.65 -34.55 74.16 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 123.683 0.793 . . . . 65.35 112.297 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -65.96 -43.61 87.41 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.438 1.095 . . . . 73.34 110.655 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.14 70.5 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.363 -0.835 . . . . 74.53 111.771 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.26 -39.86 94.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.26 1.024 . . . . 74.32 110.872 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 HD23 ' A' ' 19' ' ' LEU . 26.7 tp -80.22 -37.36 33.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.337 0.655 . . . . 63.02 111.116 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -50.4 72.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 64.33 112.213 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.49 -40.68 95.43 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.664 0.616 . . . . 62.32 112.664 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -58.66 -46.11 87.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.113 0.565 . . . . 72.32 111.534 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.7 mt -96.81 7.04 47.51 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.382 -0.826 . . . . 62.25 112.36 -174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 57.75 21.99 7.99 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.461 1.104 . . . . 71.55 112.804 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.3 mt -86.13 173.8 9.59 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.97 0.908 . . . . 72.24 110.371 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -98.94 158.45 15.63 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.551 -0.907 . . . . 61.11 108.551 171.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.29 -28.99 65.5 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.64 0.257 . . . . 64.41 111.633 172.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 92.5 m -62.5 -53.4 55.31 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 123.647 0.779 . . . . 64.35 110.796 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.29 -38.98 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.69 0.796 . . . . 72.13 112.902 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.45 -44.82 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 122.75 0.42 . . . . 65.12 110.399 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.04 -42.55 90.51 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.437 0.695 . . . . 54.12 111.564 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 96.8 mt -63.83 -48.62 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.884 0.874 . . . . 74.01 111.219 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 89.2 t90 -60.34 -54.13 49.32 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.353 0.408 . . . . 74.1 110.766 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.9 m-85 -58.54 -36.59 74.11 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.57 0.544 . . . . 74.01 112.43 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.95 -51.88 54.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.747 0.819 . . . . 61.42 111.257 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 90.7 m-20 -58.12 -42.53 85.98 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.826 0.851 . . . . 74.21 110.997 174.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 5.1 tpt180 -66.95 -35.99 81.23 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.259 1.024 . . . . 73.43 112.084 -174.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 52' ' ' PHE . 81.5 mtm-85 -72.59 -27.68 62.32 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.654 0.381 . . . . 64.31 110.692 173.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -76.29 -25.94 55.39 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.302 0.641 . . . . 73.41 111.119 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 10.7 mmpt? -74.1 -15.03 61.07 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.279 0.632 . . . . 73.34 111.766 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -117.78 173.28 6.84 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.852 0.861 . . . . 64.14 109.345 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 mttp 61.35 17.55 8.43 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.18 0.992 . . . . 75.12 112.302 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -63.39 149.42 45.93 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.54 0.736 . . . . 74.22 111.126 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -53.28 160.36 1.14 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.901 1.28 . . . . 74.14 113.21 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -49.64 148.07 3.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.788 1.235 . . . . 75.33 111.917 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.14 -26.82 67.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.65 0.78 . . . . 74.32 112.091 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.286 0.635 . . . . 53.51 110.962 172.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.5 p 55.03 25.61 7.16 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 125.614 1.566 . . . . 73.41 112.478 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.37 -59.83 3.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.093 0.957 . . . . 71.43 111.456 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -54.63 133.88 46.75 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.797 0.839 . . . . 64.3 111.402 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.43 0 CA-C-N 116.572 -0.286 . . . . 73.32 112.779 -178.483 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.479 0.181 . . . . 74.11 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.19 -173.13 20.84 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 123.457 0.551 . . . . 73.41 113.064 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -141.13 131.49 25.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.662 0.785 . . . . 51.14 110.34 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -163.41 118.09 1.63 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.857 0.863 . . . . 64.25 109.474 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -155.73 110.33 2.9 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.823 0.449 . . . . 72.43 110.735 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.85 121.58 32.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.121 0.568 . . . . 65.32 110.408 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -92.17 147.47 22.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.843 0.457 . . . . 71.41 110.465 172.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -99.19 116.36 31.21 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 120.875 0.369 . . . . 72.14 110.346 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -111.64 82.63 1.65 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.431 0.634 . . . . 54.25 110.745 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -120.16 144.81 47.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.947 0.899 . . . . 72.32 110.043 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.4 mpt? -60.92 167.1 3.03 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 123.673 0.789 . . . . 74.41 112.306 174.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.9 t -65.84 158.76 26.98 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.17 0.588 . . . . 72.03 110.641 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -57.33 -62.43 1.78 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.725 0.639 . . . . 73.42 112.725 -171.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -60.06 -33.29 71.85 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.765 0.826 . . . . 60.23 111.415 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.46 -44.51 86.97 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.677 1.191 . . . . 72.35 112.493 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' SER . 75.6 t -60.83 -43.84 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.319 0.648 . . . . 73.13 110.138 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 58.5 mt -60.35 -39.13 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 123.444 0.698 . . . . 52.43 110.872 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.09 -43.22 92.83 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.474 0.71 . . . . 73.32 112.212 175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.49 -40.64 92.06 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.709 0.804 . . . . 62.43 110.624 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.85 -36.42 82.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.556 1.142 . . . . 75.31 112.104 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 79.4 mtp180 -58.64 -38.59 78.44 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.382 0.673 . . . . 75.34 111.052 173.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 29' ' ' LEU . 50.3 tptt -80.8 -36.19 32.05 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 115.94 -0.573 . . . . 75.24 111.61 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -67.91 -37.34 81.57 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.066 0.946 . . . . 74.35 112.165 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -65.84 -28.51 69.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.851 0.86 . . . . 64.23 111.744 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -81.98 -42.27 19.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.931 0.492 . . . . 75.42 111.472 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -151.36 134.57 15.99 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 121.639 0.733 . . . . 62.34 111.672 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 40.7 mmtm -73.12 -24.59 60.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.314 1.046 . . . . 73.42 113.681 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.34 143.39 35.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.945 0.898 . . . . 70.02 110.251 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 22' ' ' LYS . 57.8 mt -96.81 152.83 18.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.12 0.568 . . . . 70.55 111.269 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -83.94 168.67 15.8 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.766 -0.827 . . . . 60.42 108.766 166.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.15 98.56 Favored Pre-proline 0 CA--C 1.572 1.802 0 N-CA-C 113.906 1.076 . . . . 63.23 113.906 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -60.99 -50.96 5.24 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 121.822 1.681 . . . . 61.11 113.631 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.07 -38.04 84.82 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 123.537 0.735 . . . . 74.33 112.365 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -72.12 -41.63 66.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.412 0.685 . . . . 74.42 111.315 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.01 80.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.61 0.764 . . . . 61.22 112.042 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.89 -46.31 88.42 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.837 -0.62 . . . . 71.3 111.669 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.2 tp -65.06 -39.44 93.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.52 0.328 . . . . 71.45 111.131 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.49 57.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.613 0.765 . . . . 71.25 112.189 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -30.32 70.1 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.634 0.605 . . . . 63.14 112.634 -177.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.5 -46.84 87.67 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.061 0.544 . . . . 54.3 111.001 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -92.81 1.6 57.2 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.049 0.94 . . . . 74.32 112.398 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 62.93 17.13 9.78 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.374 1.07 . . . . 71.52 112.9 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.34 177.16 8.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.34 1.056 . . . . 74.43 110.755 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -105.15 157.93 16.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.199 -0.667 . . . . 63.14 109.199 170.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.98 -29.12 64.98 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.867 0.467 . . . . 73.42 111.99 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -65.38 -53.41 43.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.264 0.625 . . . . 52.53 110.444 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -57.76 -48.86 78.43 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.888 0.875 . . . . 62.4 112.408 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.66 -46.23 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.745 . . . . 73.02 111.316 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -69.33 -34.87 75.29 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 122.728 0.411 . . . . 74.23 111.657 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.79 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.187 0.595 . . . . 72.21 110.189 173.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -57.78 -56.45 21.81 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.325 0.65 . . . . 71.43 110.619 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.22 -40.08 61.13 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.637 0.775 . . . . 73.53 111.955 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.23 -50.61 71.06 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.01 0.924 . . . . 54.04 112.519 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -59.44 -50.01 75.58 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.575 0.75 . . . . 54.21 110.618 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.34 -33.61 72.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.587 -1.188 . . . . 71.15 112.296 -179.419 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.703 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mmm180 -64.77 -47.37 78.42 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.432 0.693 . . . . 61.02 111.347 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.8 -26.87 67.16 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 115.917 -0.583 . . . . 75.44 111.259 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -89.7 -10.5 45.51 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.04 0.755 . . . . 73.33 113.04 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 55' ' ' ARG . 60.8 p -61.5 172.48 1.17 Allowed 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.719 0.771 . . . . 75.34 111.768 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -74.33 -0.5 17.32 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 115.61 -0.723 . . . . 72.02 111.719 175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -120.18 128.11 53.09 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.8 0.84 . . . . 75.25 110.578 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -90.75 156.72 17.86 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.462 0.705 . . . . 74.52 111.061 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.04 173.32 10.55 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.0 0.92 . . . . 73.3 111.342 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -40.54 87.82 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 124.226 1.01 . . . . 73.35 112.548 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -76.68 138.87 40.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.426 0.291 . . . . 73.22 110.94 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.5 t -117.87 97.77 6.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.414 0.686 . . . . 73.23 110.503 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.29 72.73 10.68 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 121.452 0.644 . . . . 65.21 109.518 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.3 tp -174.04 155.6 2.54 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.823 1.249 . . . . 65.22 109.169 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.165 0 CA-C-O 120.97 0.206 . . . . 53.13 113.063 -179.428 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptt? . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.685 0.254 . . . . 74.45 111.685 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.18 74.94 0.65 Allowed Glycine 0 CA--C 1.541 1.68 0 N-CA-C 114.983 0.753 . . . . 71.23 114.983 -173.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -76.44 115.98 16.7 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.666 0.787 . . . . 72.32 110.278 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -69.59 119.72 14.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.257 0.623 . . . . 73.1 110.52 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -61.99 118.76 7.71 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.749 0.419 . . . . 65.3 111.582 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -69.52 109.32 4.2 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 109.436 -0.579 . . . . 71.33 109.436 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -66.99 92.79 0.25 Allowed 'General case' 0 CA--C 1.556 1.198 0 CA-C-O 121.809 0.814 . . . . 64.14 110.261 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -71.02 133.43 46.33 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.005 -0.998 . . . . 74.44 110.237 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.7 p -68.78 134.73 50.16 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.737 0.643 . . . . 72.42 112.737 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -98.68 152.88 19.16 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.464 0.706 . . . . 74.23 110.238 168.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.505 ' SD ' ' N ' ' A' ' 11' ' ' MET . 0.6 OUTLIER -67.46 159.41 29.65 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.611 0.765 . . . . 70.24 112.597 175.462 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m -74.55 155.71 37.61 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.418 0.687 . . . . 74.52 110.926 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -57.41 -58.04 10.02 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.16 0.8 . . . . 62.52 113.16 -171.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 17' ' ' ILE . 27.9 m -62.57 -28.04 69.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.241 0.616 . . . . 73.02 111.692 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.02 -38.61 66.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.847 0.859 . . . . 74.11 111.707 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.63 -33.1 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.631 0.773 . . . . 73.23 110.386 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 77.3 mt -56.56 -51.27 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.08 0.552 . . . . 74.22 110.608 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.11 -43.0 99.79 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.785 0.834 . . . . 75.13 111.957 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 37' ' ' LEU . 28.8 mt -60.49 -36.85 79.3 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.259 1.024 . . . . 70.24 111.423 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.44 -29.64 47.13 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.187 0.595 . . . . 73.31 112.598 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 85.0 mtp180 -60.58 -32.51 71.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.271 0.558 . . . . 65.41 110.188 171.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.25 -44.25 19.99 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.964 0.905 . . . . 65.44 111.432 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -67.33 -31.76 72.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.156 0.982 . . . . 75.32 112.628 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -69.8 -32.49 70.98 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.29 0.636 . . . . 41.41 112.173 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.28 -37.51 32.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.107 0.563 . . . . 75.12 111.386 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -155.87 142.43 18.66 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.513 0.673 . . . . 75.23 111.867 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.85 -22.4 20.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.452 0.701 . . . . 70.25 111.85 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.62 114.74 21.02 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.416 0.687 . . . . 72.02 110.542 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 33' ' ' GLU . 93.8 mt -92.17 146.7 23.51 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.581 0.752 . . . . 74.41 111.254 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -76.56 173.81 11.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.065 0.546 . . . . 72.44 109.999 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.25 94.99 Favored Pre-proline 0 CA--C 1.565 1.555 0 CA-C-O 118.499 -0.762 . . . . 74.22 112.58 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.49 -50.8 8.64 Favored 'Trans proline' 0 C--N 1.387 2.599 0 C-N-CA 121.667 1.578 . . . . 54.3 113.181 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.6 mp0 -64.78 -39.18 93.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -174.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.493 HH11 ' HB3' ' A' ' 45' ' ' GLU . 32.8 ttp85 -64.18 -39.83 94.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.187 0.595 . . . . 74.55 110.884 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.09 73.79 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.385 0.674 . . . . 71.31 112.341 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -66.79 -38.32 86.3 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.46 0.704 . . . . 73.23 110.427 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 19' ' ' LEU . 21.3 tp -74.12 -38.46 63.79 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.589 -0.732 . . . . 64.14 110.646 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.59 -55.41 35.4 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.683 0.793 . . . . 52.45 112.29 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.03 0.752 . . . . 74.23 113.03 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.21 -38.76 92.43 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 75.43 112.198 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -96.72 8.17 44.88 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.393 0.677 . . . . 74.22 112.75 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 56.76 24.48 9.12 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.127 0.971 . . . . 70.45 113.426 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -88.04 179.48 6.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.062 0.945 . . . . 72.42 110.494 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.0 p -106.89 161.69 14.48 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.911 -0.774 . . . . 71.33 108.911 168.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HB3' HH11 ' A' ' 34' ' ' ARG . 55.2 mt-10 -59.74 -34.41 72.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.773 0.429 . . . . 71.3 111.773 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 87.2 m -63.62 -46.08 87.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.044 0.537 . . . . 74.14 110.802 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -64.86 -43.11 94.06 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.676 0.621 . . . . 74.21 112.676 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.18 -43.5 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.592 0.357 . . . . 42.33 110.065 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -61.32 -40.42 94.12 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 122.879 0.472 . . . . 70.41 111.979 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' THR . 97.5 mt -61.16 -59.68 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.461 0.704 . . . . 73.14 110.608 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -51.44 -58.77 5.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.104 0.878 . . . . 74.13 110.023 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -55.17 -38.57 68.48 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.137 0.792 . . . . 73.21 113.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.59 -52.08 62.52 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.896 0.478 . . . . 73.25 111.69 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.639 0.376 . . . . 55.02 111.359 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -63.16 -34.09 76.87 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.184 0.594 . . . . 74.34 111.914 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -65.92 -38.62 89.16 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.804 0.442 . . . . 65.34 110.132 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -67.78 -27.67 66.95 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.603 0.761 . . . . 70.12 111.081 173.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -89.2 -13.0 39.28 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.178 0.807 . . . . 74.13 113.178 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 m -72.15 80.68 0.97 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 118.846 0.748 . . . . 64.32 112.337 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 48.11 30.46 2.13 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.265 1.426 . . . . 72.3 114.551 169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -72.28 169.96 15.13 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.981 0.513 . . . . 54.23 112.204 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -62.12 136.85 58.12 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.392 -0.822 . . . . 74.42 110.629 173.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -117.68 -170.29 1.84 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.549 0.739 . . . . 74.15 110.419 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 22.9 tp -68.78 -32.13 71.65 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.919 0.488 . . . . 71.34 111.209 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m 70.61 -55.31 0.63 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 125.844 1.658 . . . . 71.24 111.993 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -88.78 67.3 8.28 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 109.037 -0.727 . . . . 62.55 109.037 165.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 64' ' ' LEU . 42.7 tt0 -106.62 132.94 52.03 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.88 0.872 . . . . 62.14 111.692 -173.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.4 tp -79.34 -41.58 27.58 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.54 0.736 . . . . 73.3 110.285 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.678 0 CA-C-N 115.829 -0.623 . . . . 74.34 113.616 176.556 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 110.382 -0.229 . . . . 64.54 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.98 42.02 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 113.853 0.301 . . . . 54.14 113.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -102.96 155.6 18.25 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.393 0.677 . . . . 64.21 110.706 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -66.87 136.66 55.74 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.132 0.573 . . . . 55.33 111.171 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -77.35 133.15 38.81 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.771 0.32 . . . . 73.02 110.842 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -124.63 107.16 10.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.678 0.791 . . . . 71.45 111.157 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -76.02 132.38 40.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.438 0.295 . . . . 73.42 110.407 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -88.68 141.15 28.75 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.266 -0.272 . . . . 52.22 110.266 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -62.36 133.84 55.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.71 0.804 . . . . 73.42 111.152 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -79.42 179.91 7.17 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.191 0.52 . . . . 64.4 111.954 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 46.5 mtt -149.65 159.12 44.59 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.336 1.054 . . . . 64.35 109.632 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -88.41 161.21 17.19 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.952 -0.467 . . . . 71.45 110.938 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.7 -56.74 17.66 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.609 0.764 . . . . 75.13 112.869 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -65.16 -32.61 74.38 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.639 0.376 . . . . 73.25 111.632 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.17 -46.82 88.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.18 0.592 . . . . 53.31 111.027 174.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.584 ' HA ' HD12 ' A' ' 19' ' ' LEU . 98.4 t -64.42 -30.41 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.161 0.584 . . . . 74.02 111.556 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.58 -48.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 CA-C-N 118.459 0.572 . . . . 73.35 110.454 173.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 15.3 mm-40 -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.75 0.82 . . . . 75.45 111.901 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.7 mt -62.74 -46.78 86.5 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.079 0.951 . . . . 65.25 111.142 171.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.86 -29.89 70.86 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.252 1.021 . . . . 72.34 112.172 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 80.3 mtp180 -59.38 -53.46 57.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.151 0.58 . . . . 73.14 110.673 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HG2' HD22 ' A' ' 37' ' ' LEU . 47.7 tptt -64.0 -37.06 86.03 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.625 -0.716 . . . . 73.53 111.543 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -66.01 -42.8 89.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.383 1.073 . . . . 74.15 111.217 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -61.85 -30.15 70.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.064 0.946 . . . . 75.13 112.628 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -79.46 -46.45 17.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.542 0.337 . . . . 64.45 111.644 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -154.86 143.0 20.26 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.331 0.653 . . . . 62.31 111.548 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 30.4 mmtp -89.85 -17.25 28.44 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.513 0.931 . . . . 64.35 113.513 -172.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.06 127.29 33.72 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.641 0.777 . . . . 74.03 110.567 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 22' ' ' LYS . 53.2 mt -100.5 137.92 38.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.157 0.583 . . . . 73.43 111.109 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.5 m -77.77 174.16 11.29 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.687 -0.486 . . . . 72.2 109.687 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.85 79.44 Favored Pre-proline 0 CA--C 1.574 1.897 0 N-CA-C 114.208 1.188 . . . . 74.3 114.208 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.65 -49.68 6.74 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.825 1.683 . . . . 70.04 114.206 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.63 -33.28 68.8 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.438 0.695 . . . . 71.43 112.864 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.06 -44.15 73.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.53 0.732 . . . . 74.21 110.673 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.52 80.68 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.101 -0.954 . . . . 62.43 111.533 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.72 -49.35 66.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.721 0.808 . . . . 64.54 111.204 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.0 tp -64.8 -37.12 86.54 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.11 0.481 . . . . 70.44 110.656 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -51.3 64.99 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.424 -0.807 . . . . 73.02 112.953 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.77 -38.02 88.95 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 118.293 0.497 . . . . 74.52 112.062 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -56.13 -44.85 79.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.772 0.829 . . . . 54.54 111.713 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.0 10.21 36.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.435 0.694 . . . . 75.04 112.068 -175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 55.42 22.62 5.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.687 1.195 . . . . 75.14 113.456 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.94 178.27 7.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.079 0.952 . . . . 42.31 109.879 172.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -110.62 161.26 15.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.834 0.454 . . . . 75.55 110.027 172.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.22 -35.18 64.64 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 74.52 112.498 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -62.89 -50.03 72.49 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.192 0.597 . . . . 72.44 111.458 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.3 -48.48 81.57 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.654 0.781 . . . . 71.11 111.861 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.46 -49.9 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.179 0.992 . . . . 70.03 112.265 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.58 -47.81 82.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.695 0.798 . . . . 71.22 111.866 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.5 mt -61.54 -38.75 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.499 -0.773 . . . . 74.13 111.056 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 83.9 t90 -58.12 -56.38 22.73 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.663 0.385 . . . . 74.11 110.569 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -51.67 -39.79 58.88 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.685 0.794 . . . . 61.12 112.623 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -63.19 -49.43 74.29 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.201 0.6 . . . . 73.43 111.502 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -64.36 -41.58 96.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.208 0.603 . . . . 71.13 111.969 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 59' ' ' THR . 17.5 mmm180 -62.35 -40.61 96.95 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 119.456 -0.307 . . . . 75.0 111.588 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 69.8 mtp85 -62.34 -39.76 94.16 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.484 0.49 . . . . 65.11 111.117 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 62' ' ' LYS . 84.8 t80 -63.16 -29.36 70.73 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.733 0.813 . . . . 64.0 111.214 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -86.55 -22.72 26.15 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.745 0.818 . . . . 62.43 112.374 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 55' ' ' ARG . 72.0 p -77.29 176.2 9.02 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 122.019 -0.426 . . . . 62.41 111.754 -178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -67.58 -33.15 74.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.019 0.527 . . . . 70.45 112.242 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -103.43 114.52 28.86 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.075 0.55 . . . . 64.22 109.767 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.55 ' HB2' ' HA ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -143.13 -177.95 5.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.024 0.93 . . . . 71.22 111.646 -172.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -67.86 170.08 8.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.738 0.815 . . . . 74.24 111.674 170.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.05 -25.23 67.55 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.705 0.802 . . . . 65.43 112.909 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 t 66.13 35.77 5.99 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.308 1.043 . . . . 61.44 110.557 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.1 p -79.6 11.52 3.07 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.765 0.826 . . . . 54.12 112.759 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.72 90.06 2.3 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.59 0.756 . . . . 62.5 109.677 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -89.95 148.74 22.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.684 0.794 . . . . 71.34 112.288 -172.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.383 0 CA-C-O 121.361 0.423 . . . . 62.22 113.223 179.173 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 110.777 -0.082 . . . . 73.45 110.777 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.66 -41.12 0.39 Allowed Glycine 0 N--CA 1.474 1.216 0 O-C-N 122.987 0.179 . . . . 73.31 113.015 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -77.21 115.89 17.37 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.199 0.6 . . . . 73.12 111.708 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -97.2 177.95 5.4 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.63 0.772 . . . . 71.1 110.668 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -149.42 117.22 6.25 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.384 0.674 . . . . 73.04 110.35 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -78.8 135.36 37.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.808 0.443 . . . . 74.21 110.9 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -79.86 -63.48 1.4 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.198 0.599 . . . . 65.32 110.514 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -100.58 71.98 1.54 Allowed 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.299 0.571 . . . . 73.44 110.489 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 t -88.21 -41.95 12.62 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.732 -0.667 . . . . 54.21 110.7 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -67.95 124.71 24.11 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.875 0.87 . . . . 75.12 111.402 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.31 153.67 22.01 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.278 0.631 . . . . 72.15 111.243 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -63.53 145.56 55.42 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.023 0.529 . . . . 64.53 110.73 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -56.46 -43.73 79.83 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.513 0.725 . . . . 75.22 111.408 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -67.77 -35.65 79.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.648 0.779 . . . . 65.23 111.338 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.63 -43.03 95.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.42 1.088 . . . . 54.12 111.7 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 19' ' ' LEU . 91.2 t -58.67 -38.64 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.005 0.922 . . . . 63.24 111.447 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 70.8 mt -55.19 -48.5 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.323 0.649 . . . . 73.53 111.324 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.384 0.674 . . . . 72.41 112.725 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD23 HD21 ' A' ' 37' ' ' LEU . 56.6 mt -57.11 -43.41 82.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.211 0.604 . . . . 73.31 110.969 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -67.92 -39.67 83.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.85 0.86 . . . . 73.3 112.245 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 43.1 mtp-105 -64.21 -37.67 88.29 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.828 0.451 . . . . 65.21 111.42 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.4 tptm -71.89 -44.1 64.3 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.059 -0.519 . . . . 71.14 110.36 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.62 -45.16 94.12 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.52 1.128 . . . . 73.05 112.7 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -66.65 -29.32 69.31 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.771 0.828 . . . . 71.23 112.054 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -88.81 -31.17 18.47 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.621 . . . . 65.25 111.602 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -148.32 122.61 9.62 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.055 0.931 . . . . 72.04 110.804 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.3 mmtp -82.72 -19.46 37.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.134 0.974 . . . . 74.12 112.807 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -118.07 132.58 56.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.994 0.918 . . . . 74.11 110.426 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 34' ' ' ARG . 96.1 mt -99.06 130.46 45.39 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.866 0.866 . . . . 71.12 110.139 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.7 m -77.52 167.35 21.79 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.047 -0.723 . . . . 71.23 109.047 168.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -53.0 -48.03 93.4 Favored Pre-proline 0 CA--C 1.57 1.749 0 N-CA-C 112.947 0.721 . . . . 75.34 112.947 -178.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 31.7 Cg_exo -63.23 -43.8 17.31 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 121.599 1.533 . . . . 75.32 113.72 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -60.27 -44.7 95.09 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.986 0.914 . . . . 70.55 113.145 -175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 56.8 ttp180 -68.11 -37.23 80.91 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.815 -1.084 . . . . 75.23 110.86 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.04 90.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.675 0.79 . . . . 53.44 111.567 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.23 -51.08 71.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.4 0.68 . . . . 73.34 110.918 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.0 tp -63.94 -41.42 97.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.513 0.325 . . . . 72.12 111.664 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.34 77.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.572 0.749 . . . . 75.31 112.087 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.25 -35.94 78.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.377 0.51 . . . . 74.52 112.377 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.21 -30.83 71.87 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.277 0.631 . . . . 73.34 112.085 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.77 5.34 28.55 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.405 0.682 . . . . 72.04 112.528 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 60.03 20.43 9.57 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.001 0.921 . . . . 73.04 113.16 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.7 177.53 6.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.64 1.176 . . . . 63.23 110.952 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -102.75 151.68 22.12 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.866 -0.79 . . . . 72.52 108.866 171.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 43.9 mt-10 -56.49 -27.26 56.7 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.088 0.555 . . . . 73.51 112.492 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.0 m -61.24 -59.17 5.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.466 0.706 . . . . 73.43 110.601 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.57 -46.64 77.17 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.988 0.915 . . . . 74.12 112.112 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.11 -45.84 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.826 0.85 . . . . 75.33 112.082 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 3.5 ttpm? -66.49 -40.79 89.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.448 0.299 . . . . 64.14 111.221 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.66 -41.31 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.45 0.7 . . . . 74.42 110.909 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -57.64 -57.32 13.21 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.355 0.662 . . . . 71.41 110.455 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.6 m-85 -52.61 -48.69 66.14 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.707 0.803 . . . . 74.21 111.828 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.93 -43.46 86.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.771 1.228 . . . . 73.34 112.384 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.55 -49.18 72.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.775 0.83 . . . . 75.11 111.644 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -35.43 75.65 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 112.639 0.607 . . . . 71.43 112.639 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' NH1' ' HB3' ' A' ' 27' ' ' LYS . 36.2 mtp85 -67.23 -42.45 84.01 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.015 0.436 . . . . 75.4 110.717 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.03 -24.97 62.46 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.353 -0.84 . . . . 72.41 111.375 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -87.3 -22.3 25.22 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.043 0.757 . . . . 63.42 113.043 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 t -96.32 140.15 31.41 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.099 0.409 . . . . 73.43 110.173 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -67.6 -23.73 65.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.193 0.597 . . . . 61.43 111.013 173.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -71.26 85.73 0.79 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.515 0.726 . . . . 74.24 111.2 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -91.14 155.12 18.86 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.087 -0.961 . . . . 72.13 111.116 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -103.76 19.25 20.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.018 0.527 . . . . 74.54 111.677 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 tp -124.54 -52.2 1.71 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.271 0.628 . . . . 74.01 110.223 175.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.4 t -146.92 102.9 3.57 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.556 0.743 . . . . 73.11 110.399 174.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 t -129.83 -169.62 2.15 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.162 0.585 . . . . 73.43 110.895 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 60.97 34.62 19.34 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.491 1.117 . . . . 73.35 111.078 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.0 mt -75.08 139.16 42.61 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.286 -0.87 . . . . 75.42 110.646 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 114.988 0.755 . . . . 61.5 114.988 -173.216 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.512 0.196 . . . . 54.42 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.9 96.81 0.33 Allowed Glycine 0 C--N 1.35 1.35 0 CA-C-N 116.359 -0.382 . . . . 50.44 112.518 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -72.32 88.36 1.17 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.099 0.56 . . . . 75.52 111.302 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -95.26 115.32 27.27 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.382 0.611 . . . . 61.3 111.387 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -129.46 111.47 12.81 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.111 0.965 . . . . 72.24 109.771 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.502 ' HB3' HD21 ' A' ' 54' ' ' ASN . 35.0 m170 -81.11 117.33 21.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.323 -0.621 . . . . 52.11 109.323 171.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -69.86 115.16 8.76 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.619 0.368 . . . . 70.14 111.319 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -69.01 92.98 0.54 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.296 0.638 . . . . 73.34 110.71 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 t -69.83 106.23 3.06 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.601 -0.727 . . . . 75.34 110.305 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -63.45 130.67 45.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.045 0.538 . . . . 74.21 110.352 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.4 mtt -146.12 153.71 40.99 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.775 0.83 . . . . 73.51 109.926 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -84.7 154.62 22.35 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 109.338 -0.616 . . . . 72.34 109.338 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' ILE . 67.2 t60 -58.51 -42.73 88.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.666 0.387 . . . . 74.43 111.897 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 69.0 m -61.67 -40.36 94.67 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.357 0.663 . . . . 74.13 111.112 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.6 tt0 -64.88 -42.2 95.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.184 0.994 . . . . 73.22 111.478 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' LEU . 58.2 t -62.09 -38.87 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.131 0.572 . . . . 72.54 110.69 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 76.6 mt -58.78 -46.93 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.899 0.48 . . . . 74.14 111.017 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 14' ' ' THR . 18.3 mm-40 -59.79 -43.37 94.46 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.588 0.755 . . . . 74.3 111.573 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 37' ' ' LEU . 30.4 mt -61.33 -38.05 85.51 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.928 0.891 . . . . 71.11 111.369 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.65 -30.82 63.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.654 0.782 . . . . 53.41 112.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 90.4 mtt-85 -61.09 -42.07 97.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.117 0.567 . . . . 70.42 109.607 172.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HD22 ' A' ' 37' ' ' LEU . 10.7 tppt? -68.94 -42.68 76.4 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.283 -0.871 . . . . 71.24 111.411 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.91 -32.86 69.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.672 1.189 . . . . 74.14 111.144 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.3 m -63.02 -35.67 80.99 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.552 0.741 . . . . 72.15 112.382 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.31 -47.56 17.51 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 118.256 0.48 . . . . 73.21 111.195 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -156.66 146.13 20.63 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.649 0.738 . . . . 51.3 111.84 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 66.4 mmtt -83.18 -21.02 33.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.255 1.022 . . . . 60.42 113.468 -170.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -140.04 128.21 22.41 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.743 0.817 . . . . 72.31 109.336 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD11 ' HG2' ' A' ' 22' ' ' LYS . 95.6 mt -86.1 157.78 19.96 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.14 0.793 . . . . 72.33 113.14 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.0 m -79.26 161.17 26.5 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.961 -1.018 . . . . 70.34 109.844 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.91 -44.37 96.37 Favored Pre-proline 0 CA--C 1.573 1.834 0 N-CA-C 113.946 1.091 . . . . 53.3 113.946 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.5 -56.15 1.7 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 122.154 1.903 . . . . 74.31 114.19 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.45 -19.71 60.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.581 0.956 . . . . 71.42 113.581 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -74.58 -42.54 58.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.649 0.78 . . . . 74.13 109.735 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.56 74.73 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.354 1.062 . . . . 74.12 111.36 173.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 6.2 t60 -62.14 -49.17 76.95 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.914 1.285 . . . . 63.3 110.734 176.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 22' ' ' LYS . 47.8 tp -71.39 -35.21 70.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.596 0.359 . . . . 73.01 110.994 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -54.42 46.57 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.699 0.799 . . . . 54.12 112.4 178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 63.4 pttt -61.67 -36.45 80.88 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.131 0.573 . . . . 62.44 112.469 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.99 -40.49 95.04 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.455 0.702 . . . . 42.52 111.739 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HB3' HE21 ' A' ' 15' ' ' GLN . 94.0 mt -101.66 8.03 41.82 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.309 0.644 . . . . 74.43 111.907 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 23.27 9.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.681 1.192 . . . . 74.32 113.799 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.25 175.76 8.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.446 1.098 . . . . 75.43 110.768 172.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -110.06 166.8 10.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.565 0.746 . . . . 62.4 109.226 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.02 -19.34 64.27 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.006 0.372 . . . . 72.25 112.006 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.0 m -70.24 -54.28 13.43 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.447 0.699 . . . . 64.13 110.063 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.96 -47.13 87.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.976 0.91 . . . . 65.5 112.329 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.94 -50.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.176 0 C-N-CA 123.566 0.746 . . . . 75.41 110.966 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.64 -46.08 87.9 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.205 0.602 . . . . 75.31 112.517 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.37 -40.13 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.105 0.562 . . . . 61.34 110.836 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -59.95 -54.39 46.65 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.167 0.44 . . . . 72.32 110.946 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 46.7 m-85 -61.02 -32.83 72.42 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.909 0.707 . . . . 73.33 112.909 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.83 -58.39 4.66 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.22 1.008 . . . . 72.41 111.837 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.502 HD21 ' HB3' ' A' ' 6' ' ' HIS . 7.4 m-20 -62.96 -41.52 99.55 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.295 1.038 . . . . 73.24 112.057 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -53.83 -44.24 70.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.99 0.916 . . . . 63.21 111.838 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 41.3 mtp180 -63.92 -38.12 89.91 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 123.684 0.615 . . . . 73.01 111.449 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -66.44 -27.49 67.86 Favored 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 123.58 0.752 . . . . 73.53 111.891 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 54' ' ' ASN . 29.0 mmtp -79.7 -33.02 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.942 0.497 . . . . 74.44 111.493 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.7 t -109.05 -176.26 2.99 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.125 0.57 . . . . 64.21 110.607 -173.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -58.7 136.71 57.77 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.489 0.716 . . . . 74.01 111.43 171.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -143.57 89.99 2.12 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.984 0.514 . . . . 64.21 111.518 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -64.19 -37.03 85.99 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.75 0.82 . . . . 71.01 110.977 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -79.89 164.04 23.86 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.007 0.923 . . . . 72.25 109.986 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.4 61.09 5.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.278 1.037 . . . . 75.42 111.161 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -84.75 102.31 12.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.832 1.253 . . . . 63.44 112.167 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.0 m 54.46 42.09 31.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.842 0.857 . . . . 61.21 110.803 -172.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.05 142.93 57.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.948 0.899 . . . . 75.24 111.708 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.28 127.72 33.7 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.497 0.719 . . . . 75.05 111.626 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.904 0 CA-C-N 115.778 -0.646 . . . . 74.45 112.833 -179.071 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 110.108 -0.33 . . . . 61.35 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.89 87.2 0.06 OUTLIER Glycine 0 CA--C 1.544 1.878 0 N-CA-C 114.668 0.627 . . . . 62.21 114.668 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -135.23 -71.15 0.48 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.203 1.001 . . . . 75.41 110.105 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 58.85 19.21 6.78 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.671 1.188 . . . . 74.21 112.268 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -73.91 110.34 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.228 0.537 . . . . 73.3 111.636 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -109.74 177.11 4.83 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.163 0.985 . . . . 62.01 110.015 170.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -75.47 129.15 36.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.78 0.432 . . . . 72.03 111.085 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -63.69 -29.24 70.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.865 0.866 . . . . 73.14 111.72 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -76.24 73.97 3.05 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.235 0.614 . . . . 61.12 111.005 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -154.01 174.7 14.32 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.371 1.468 . . . . 73.21 110.043 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.2 mtt -76.31 130.22 37.8 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.772 0.429 . . . . 73.1 111.082 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -98.85 166.04 11.49 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.705 0.802 . . . . 51.4 110.748 -174.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -48.33 -51.89 24.09 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.333 1.053 . . . . 65.24 113.569 -172.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.4 m -62.51 -41.25 98.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.685 0.794 . . . . 64.15 111.428 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HG3' HD22 ' A' ' 41' ' ' LEU . 32.5 tt0 -66.23 -40.6 90.39 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.14 0.976 . . . . 71.2 111.635 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.66 -37.75 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.982 0.913 . . . . 75.15 110.947 175.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.35 -40.83 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 122.642 0.377 . . . . 54.02 111.099 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.89 -40.72 91.8 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.857 0.463 . . . . 60.13 111.78 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.72 -44.66 96.34 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.847 0.859 . . . . 73.05 110.92 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -63.84 -37.2 86.51 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.105 0.962 . . . . 74.41 111.751 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.89 -50.58 73.23 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.527 0.731 . . . . 75.31 110.239 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' HD21 ' A' ' 29' ' ' LEU . 52.0 tptt -66.7 -37.14 84.11 Favored 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.377 0.671 . . . . 74.41 111.515 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.89 -40.96 87.91 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.768 1.227 . . . . 72.14 112.525 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -70.32 -25.04 63.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.518 0.727 . . . . 62.24 112.231 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -82.07 -50.65 8.84 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.93 0.395 . . . . 72.13 111.123 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -140.76 133.17 28.39 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.615 0.766 . . . . 63.14 110.769 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 45.3 mmtm -78.46 -19.04 53.96 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.113 0.965 . . . . 53.13 113.421 -173.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.45 123.6 20.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.875 0.87 . . . . 75.04 109.928 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 22' ' ' LYS . 21.6 mt -93.0 135.13 34.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.314 0.487 . . . . 73.52 112.314 -177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -75.03 166.67 23.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.403 -0.591 . . . . 75.22 109.403 167.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.68 -44.99 78.74 Favored Pre-proline 0 CA--C 1.573 1.844 0 N-CA-C 114.683 1.364 . . . . 63.14 114.683 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.64 -43.11 22.7 Favored 'Trans proline' 0 C--N 1.39 2.712 0 C-N-CA 121.885 1.724 . . . . 75.04 113.421 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.18 -38.07 78.5 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.613 0.765 . . . . 65.33 111.4 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -71.73 -43.38 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.048 1.339 . . . . 73.42 110.706 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.23 91.13 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.916 0.886 . . . . 52.13 111.811 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.7 -50.88 70.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.936 0.895 . . . . 71.31 111.051 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 22' ' ' LYS . 26.3 tp -68.65 -35.23 76.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.451 0.301 . . . . 63.44 110.753 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 -59.3 5.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.498 0.719 . . . . 51.43 111.741 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -63.93 -37.37 87.16 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.858 0.688 . . . . 72.33 112.858 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.63 -32.28 73.76 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.455 0.702 . . . . 71.02 111.945 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 15' ' ' GLN . 93.2 mt -99.64 3.01 45.02 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.531 0.732 . . . . 74.31 111.851 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 57.99 20.43 6.78 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.348 1.059 . . . . 75.42 112.938 -177.427 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -88.06 179.97 6.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.976 1.31 . . . . 62.04 109.882 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 p -108.19 161.58 14.85 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.896 0.478 . . . . 74.32 110.285 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.9 -32.88 68.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.072 0.549 . . . . 74.4 112.12 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 m -70.53 -41.52 72.42 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.874 0.47 . . . . 74.01 110.961 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.08 -47.59 83.97 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.22 0.608 . . . . 73.23 112.005 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.11 -39.46 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 C-N-CA 123.776 0.83 . . . . 44.03 111.417 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -58.98 -51.54 69.63 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.207 0.603 . . . . 73.12 111.373 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.83 -37.27 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.025 0.93 . . . . 55.14 111.529 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.98 -55.87 27.83 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.732 0.413 . . . . 73.44 110.437 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 14.2 m-85 -55.39 -44.76 76.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.496 0.719 . . . . 74.11 111.991 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.82 -50.74 69.7 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.596 1.158 . . . . 71.34 112.033 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.59 -43.2 81.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.908 0.883 . . . . 75.31 111.856 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.528 HH21 ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.31 -29.88 71.12 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 122.809 0.444 . . . . 74.33 111.693 175.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.606 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 23.8 mmm180 -67.99 -26.18 65.78 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.595 0.634 . . . . 74.43 111.979 171.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -85.28 -28.97 24.96 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.129 0.972 . . . . 62.12 110.833 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HG3' HH21 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -89.45 -27.51 20.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.206 1.002 . . . . 64.33 113.202 -177.077 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 p -76.45 -170.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 122.95 0.5 . . . . 71.45 111.392 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -54.08 97.72 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.491 0.716 . . . . 72.44 111.299 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -74.64 -30.82 61.77 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.238 -0.892 . . . . 64.43 111.65 -172.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -64.59 119.94 11.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.119 0.568 . . . . 74.23 111.347 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.24 -42.59 83.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.953 0.901 . . . . 73.01 112.073 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.47 -28.75 68.58 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.107 0.963 . . . . 75.22 112.114 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -79.74 72.67 6.45 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.625 0.77 . . . . 71.02 111.885 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 t 60.48 104.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.205 1.402 . . . . 55.34 114.07 173.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.89 140.89 20.26 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.165 0.586 . . . . 70.01 110.373 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 68' ' ' LEU . 2.3 pt? -59.65 125.36 23.33 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.308 1.043 . . . . 62.42 112.764 -177.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.312 0 CA-C-O 121.774 0.652 . . . . 75.44 112.702 179.436 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.383 0.135 . . . . 53.22 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.65 130.53 1.16 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-N 116.408 -0.36 . . . . 74.25 113.46 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -165.63 129.13 2.2 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.305 1.042 . . . . 70.22 110.54 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -132.59 90.44 2.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.097 0.559 . . . . 73.54 109.732 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -123.96 129.2 50.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.769 0.828 . . . . 72.3 109.832 174.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -141.99 134.93 28.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.748 0.419 . . . . 64.42 110.201 173.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.08 167.81 18.48 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.882 0.873 . . . . 71.13 112.427 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.3 127.27 22.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.997 0.919 . . . . 73.3 109.441 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -70.21 83.79 0.54 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.883 0.473 . . . . 74.03 110.105 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -78.26 163.79 25.44 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.312 0.645 . . . . 74.42 111.857 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.497 ' SD ' HD11 ' A' ' 19' ' ' LEU . 52.1 mtt -73.69 165.52 24.94 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.718 0.807 . . . . 51.44 112.123 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.3 t -81.76 156.68 24.84 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.416 0.686 . . . . 74.35 110.22 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -60.97 -43.06 99.35 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.223 0.609 . . . . 72.22 111.038 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -64.69 -37.47 87.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.583 0.753 . . . . 74.22 110.664 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.2 -38.05 84.68 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.306 1.042 . . . . 74.3 112.023 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 96.1 t -66.35 -36.61 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.817 0.447 . . . . 64.54 110.599 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 89.9 mt -59.08 -45.0 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.824 0.45 . . . . 62.44 110.441 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.53 -48.68 80.06 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.123 0.969 . . . . 75.3 111.817 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' SD ' ' A' ' 11' ' ' MET . 37.6 mt -56.49 -40.69 75.36 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.907 0.883 . . . . 65.43 111.541 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 50.0 mt-10 -73.19 -27.81 61.85 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.032 0.933 . . . . 74.23 112.082 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 99.7 mtt180 -64.13 -33.89 76.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.132 0.573 . . . . 70.32 110.493 173.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.77 -38.62 32.75 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.536 0.734 . . . . 72.11 111.104 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 48.8 t80 -63.8 -32.72 74.32 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.87 1.268 . . . . 74.33 111.475 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -57.09 -36.17 70.29 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.5 1.12 . . . . 65.51 112.445 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -82.49 -45.14 15.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.906 0.482 . . . . 73.23 111.478 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.64 135.71 18.87 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.319 0.58 . . . . 71.2 111.487 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -74.08 -18.91 60.76 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.644 0.979 . . . . 74.1 113.644 -174.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -152.1 158.61 43.22 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.297 1.039 . . . . 64.05 109.563 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 19.6 mt -110.77 156.69 20.71 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.384 0.512 . . . . 63.15 112.384 -171.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.5 m -82.37 168.76 17.2 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.886 -0.783 . . . . 54.33 108.886 165.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.62 99.06 Favored Pre-proline 0 CA--C 1.573 1.83 0 N-CA-C 113.99 1.107 . . . . 62.12 113.99 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.02 -50.73 10.56 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 122.411 2.074 . . . . 71.41 113.748 171.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 29' ' ' LEU . 11.1 mm-40 -65.05 -35.24 80.55 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.383 0.673 . . . . 65.13 111.915 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.45 -46.71 69.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.281 1.032 . . . . 75.14 111.044 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.46 89.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.893 0.877 . . . . 41.01 111.782 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -62.38 -44.75 95.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.048 0.939 . . . . 74.35 111.381 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 19' ' ' LEU . 32.5 tp -69.16 -42.17 76.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.82 0.448 . . . . 73.3 110.834 178.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.73 66.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.671 0.788 . . . . 53.12 112.449 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.64 -33.26 75.53 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.24 0.459 . . . . 74.24 112.24 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.58 -44.09 83.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.029 0.532 . . . . 52.24 111.725 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.4 mt -98.21 9.13 43.68 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.081 0.552 . . . . 62.01 112.209 -174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 60.45 24.75 14.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.112 0.965 . . . . 54.12 112.935 179.248 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.96 178.31 5.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.556 1.142 . . . . 62.52 110.773 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -107.58 166.15 10.89 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.07 -0.715 . . . . 73.01 109.07 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.61 -27.63 69.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.771 0.428 . . . . 62.03 111.691 175.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.8 m -63.84 -55.73 20.68 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.336 0.654 . . . . 72.31 110.08 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.52 -46.36 83.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.42 1.088 . . . . 74.32 113.179 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.29 -49.31 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.423 0.689 . . . . 65.21 111.37 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.69 -40.42 87.8 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.291 0.636 . . . . 74.1 111.66 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.02 -51.23 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.682 0.793 . . . . 72.34 111.13 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -60.82 -52.93 62.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.264 -0.398 . . . . 64.05 111.087 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -58.39 -33.54 69.74 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.801 0.667 . . . . 73.32 112.801 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.98 -60.13 2.58 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 122.485 0.314 . . . . 70.34 111.271 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 38.6 m-80 -63.18 -33.02 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.159 0.8 . . . . 74.15 113.159 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.36 -39.85 94.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.149 0.58 . . . . 75.14 112.406 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -63.35 -30.48 71.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 73.33 111.205 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 91.2 t80 -77.4 -27.84 52.52 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.924 0.89 . . . . 65.53 111.582 173.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 54' ' ' ASN . 75.1 mmtt -79.75 -25.06 41.17 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.659 0.783 . . . . 61.04 111.699 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p -85.61 174.89 9.1 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.419 0.688 . . . . 62.23 109.614 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -79.92 26.94 0.32 Allowed 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 121.709 0.766 . . . . 62.23 112.321 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -97.92 -47.13 5.66 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.287 -0.883 . . . . 72.4 111.017 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 23.1 tptm -128.32 100.24 5.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.072 -0.714 . . . . 73.03 109.072 174.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -109.72 170.64 7.93 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.981 0.512 . . . . 72.23 110.96 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.7 tp -128.14 72.91 1.44 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.631 0.729 . . . . 73.41 109.96 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 t -84.27 80.24 9.27 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.676 -0.693 . . . . 60.41 111.108 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -102.35 133.66 46.92 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.674 0.79 . . . . 64.1 110.839 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -81.22 93.3 6.47 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.796 -0.446 . . . . 73.12 109.796 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 tp -170.63 134.35 1.07 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.615 0.766 . . . . 71.14 110.369 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.246 0 CA-C-O 121.339 0.411 . . . . 44.35 113.24 179.155 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 110.002 -0.37 . . . . 51.11 110.002 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.09 62.69 4.6 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 113.798 0.279 . . . . 65.53 113.798 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -167.5 170.83 10.92 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.431 1.092 . . . . 73.02 110.229 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -154.66 177.99 10.61 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.594 0.757 . . . . 70.42 111.769 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -75.22 139.48 42.63 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.47 0.708 . . . . 74.42 110.709 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -73.08 106.64 5.03 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.104 0.478 . . . . 72.42 110.622 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -75.03 88.27 2.38 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 121.539 0.685 . . . . 72.25 110.493 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -69.25 79.49 0.36 Allowed 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 114.767 -1.106 . . . . 70.01 110.751 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -174.99 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.169 0.987 . . . . 45.3 109.206 -172.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -103.09 -170.45 1.79 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.143 -0.935 . . . . 74.03 110.679 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.5 mpt? -65.08 156.82 30.27 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 123.449 0.7 . . . . 52.21 111.896 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.8 t -92.3 160.45 15.13 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 118.714 -0.66 . . . . 74.32 109.762 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -48.78 -58.36 4.92 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.973 1.101 . . . . 75.34 113.973 -169.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 32.9 m -61.83 -41.37 97.71 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.879 0.471 . . . . 72.05 110.91 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.1 -45.07 94.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.412 1.085 . . . . 74.21 111.952 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 12' ' ' SER . 95.8 t -58.17 -41.19 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.034 0.934 . . . . 73.11 110.7 174.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.2 mt -62.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.193 0.597 . . . . 41.44 111.217 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.8 mm-40 -62.6 -41.91 99.26 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.449 0.642 . . . . 75.31 110.704 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.88 -36.26 83.8 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 114.778 -1.101 . . . . 61.3 110.983 173.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.99 -33.98 75.67 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.915 0.886 . . . . 64.13 112.886 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 66.8 mtt-85 -57.02 -52.77 63.93 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.558 0.694 . . . . 62.33 109.852 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' HD22 ' A' ' 37' ' ' LEU . 53.3 tptt -64.14 -40.07 95.37 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.249 -1.342 . . . . 64.5 111.324 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.02 -39.36 90.16 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.467 1.107 . . . . 74.54 111.846 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -63.51 -32.66 74.17 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.196 0.999 . . . . 65.03 112.096 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -79.56 -47.26 15.82 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.177 0.513 . . . . 74.21 111.086 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -148.44 136.62 21.11 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.73 0.812 . . . . 73.51 111.482 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -79.9 -45.25 18.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.956 0.902 . . . . 74.44 110.728 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.87 132.18 37.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.183 0.993 . . . . 53.11 110.559 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.23 143.82 34.9 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.862 0.465 . . . . 53.32 111.49 175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -79.34 159.86 26.99 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.257 -0.646 . . . . 72.52 109.257 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.98 -46.63 99.74 Favored Pre-proline 0 CA--C 1.576 1.957 0 N-CA-C 113.62 0.97 . . . . 71.21 113.62 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.84 -46.76 12.62 Favored 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.012 1.808 . . . . 73.14 113.179 174.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.68 -45.38 85.7 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.254 0.622 . . . . 74.11 112.124 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -68.3 -38.05 81.24 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.361 -0.836 . . . . 62.35 111.809 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.8 87.43 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.495 0.718 . . . . 60.31 111.657 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -64.86 -43.28 93.51 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.13 0.572 . . . . 71.13 111.466 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 22' ' ' LYS . 37.3 tp -64.41 -36.7 85.0 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.256 0.622 . . . . 74.44 111.256 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.38 46.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.153 0.981 . . . . 64.42 111.514 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.96 -30.6 71.19 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.435 0.532 . . . . 71.55 112.435 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.01 -29.83 70.96 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 55.13 112.118 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' HG3' ' A' ' 18' ' ' GLU . 87.8 mt -111.52 12.98 21.37 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.967 0.729 . . . . 64.41 112.967 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 59.44 14.43 3.81 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 113.338 0.866 . . . . 55.4 113.338 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.32 177.5 7.8 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.934 0.894 . . . . 53.01 111.068 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -107.14 162.33 13.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.139 0.576 . . . . 53.42 109.529 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.48 -26.67 65.45 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.156 0.583 . . . . 74.15 111.192 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -72.76 -47.36 47.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.108 0.563 . . . . 75.51 110.958 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.64 -44.54 93.47 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.228 0.611 . . . . 74.2 111.466 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.45 -41.89 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 123.206 0.603 . . . . 64.32 111.222 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -44.17 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.242 0.617 . . . . 63.15 111.198 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.99 -48.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.716 0.806 . . . . 61.43 110.612 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.06 -57.95 9.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.55 0.74 . . . . 75.23 110.044 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -59.0 -33.97 71.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.723 0.809 . . . . 74.41 112.895 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -70.16 -49.26 52.31 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.244 0.475 . . . . 72.53 111.949 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -60.52 -39.43 87.8 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.043 0.537 . . . . 74.12 111.869 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.572 ' NH2' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -67.87 -36.1 79.69 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.095 0.558 . . . . 63.25 112.001 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -70.56 -31.06 67.95 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 120.836 0.351 . . . . 74.4 110.334 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -75.28 -26.44 58.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.349 0.66 . . . . 73.35 110.779 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HD2' ' NH2' ' A' ' 55' ' ' ARG . 35.2 mttp -91.66 -4.88 54.67 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.459 0.911 . . . . 71.45 113.459 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -62.06 161.35 11.0 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 118.603 0.638 . . . . 73.35 110.607 169.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -51.34 123.23 9.22 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.361 0.665 . . . . 60.4 112.425 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -129.59 151.48 50.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.821 0.848 . . . . 73.0 111.249 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.32 93.98 1.56 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.615 0.766 . . . . 72.15 109.442 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -156.19 -172.71 4.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.18 0.992 . . . . 74.52 109.893 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -75.06 -59.95 2.51 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.268 -0.642 . . . . 72.15 109.268 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 m -113.89 101.8 9.6 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.771 0.828 . . . . 63.11 110.329 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -75.05 86.78 2.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.243 0.544 . . . . 62.45 110.711 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.79 113.56 11.08 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.262 -0.881 . . . . 63.04 111.683 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -73.62 171.6 12.94 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.687 0.795 . . . . 54.01 113.14 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.659 0 N-CA-C 114.217 0.447 . . . . 70.14 114.217 -177.61 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 110.024 -0.361 . . . . 73.34 110.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.78 66.46 3.58 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-N 116.554 -0.294 . . . . 73.14 113.524 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -115.79 65.01 0.69 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.733 0.813 . . . . 64.41 110.024 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -142.57 94.89 2.7 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.871 0.868 . . . . 52.24 110.182 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -78.24 -58.49 3.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.977 -0.556 . . . . 74.44 111.731 -172.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 62.58 88.91 0.09 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.405 1.082 . . . . 73.11 111.041 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -60.8 119.64 8.58 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.991 0.738 . . . . 65.42 112.991 -174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -149.5 2.86 0.55 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.119 0.967 . . . . 74.35 111.344 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -60.55 96.96 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.257 0.623 . . . . 74.13 111.186 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.01 -23.25 67.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.117 0.967 . . . . 74.43 111.496 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.411 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.7 mpt? -64.29 147.75 51.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.435 1.094 . . . . 63.44 112.276 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.2 t -82.96 166.05 19.18 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.616 0.767 . . . . 73.32 110.352 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -52.84 -57.75 9.19 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 123.809 0.844 . . . . 71.22 112.524 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -63.4 -35.66 81.13 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.813 0.845 . . . . 52.41 111.552 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.29 -38.33 87.5 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.414 1.085 . . . . 52.13 111.81 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' SER . 91.5 t -62.89 -43.14 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.269 0.627 . . . . 52.23 110.571 171.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.46 -42.09 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 C-N-CA 123.448 0.699 . . . . 72.32 111.221 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -63.67 -43.43 96.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.668 0.787 . . . . 52.24 111.983 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 37' ' ' LEU . 47.8 mt -63.52 -35.15 79.51 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 123.347 0.659 . . . . 72.03 111.218 173.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.84 -37.65 76.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.929 0.891 . . . . 63.11 111.804 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -60.32 -42.43 95.6 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.543 0.737 . . . . 71.33 111.032 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 51.1 tptt -73.66 -41.35 62.83 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.612 -0.722 . . . . 71.04 111.181 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.91 -38.75 92.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.655 0.782 . . . . 73.42 111.852 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -60.21 -24.97 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.62 0.768 . . . . 72.25 112.167 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -91.1 -40.25 11.71 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.014 0.526 . . . . 74.1 111.431 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.24 135.84 19.45 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.993 0.738 . . . . 72.14 112.993 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.77 -41.15 62.83 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.249 1.02 . . . . 51.11 111.668 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -113.82 138.39 50.34 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.231 1.012 . . . . 71.22 109.56 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.14 146.31 26.27 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.986 0.514 . . . . 73.11 111.718 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -71.66 161.51 30.88 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.486 -0.561 . . . . 52.13 109.486 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -45.06 99.54 Favored Pre-proline 0 CA--C 1.565 1.54 0 CA-C-O 118.495 -0.764 . . . . 74.34 112.918 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.52 -50.69 6.36 Favored 'Trans proline' 0 C--N 1.391 2.802 0 C-N-CA 121.519 1.479 . . . . 43.13 113.016 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.16 -33.72 76.44 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.428 0.899 . . . . 73.32 113.428 -172.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -74.49 -42.11 59.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.904 0.482 . . . . 71.04 110.888 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.27 89.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.78 0.832 . . . . 71.44 111.816 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.88 -48.53 65.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.489 0.716 . . . . 74.14 110.808 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 54.6 tp -62.45 -36.16 81.55 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.071 0.548 . . . . 75.43 110.962 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.59 72.38 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.54 -0.754 . . . . 74.3 111.341 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.21 -27.2 61.48 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.806 0.669 . . . . 74.44 112.806 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.77 -35.01 78.45 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.369 0.668 . . . . 54.24 111.157 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.7 mt -110.52 5.89 21.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.822 0.849 . . . . 73.02 112.258 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 56.81 25.78 10.74 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.243 1.017 . . . . 65.43 112.857 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.59 176.5 6.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.952 1.301 . . . . 73.51 111.167 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -101.4 147.74 25.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.173 0.589 . . . . 71.14 109.509 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.94 -29.29 59.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.649 0.78 . . . . 70.24 112.347 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 -56.1 18.71 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.547 0.739 . . . . 72.5 110.788 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.83 -39.07 90.52 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.579 0.585 . . . . 61.41 112.579 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.13 -44.92 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.103 0.561 . . . . 52.45 110.783 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -62.43 -39.81 94.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.787 0.835 . . . . 60.3 111.923 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 85.8 mt -68.15 -42.01 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.854 0.862 . . . . 73.23 111.354 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -59.59 -54.65 44.01 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.461 -0.57 . . . . 74.02 109.461 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 12.7 m-85 -56.76 -32.15 65.31 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.786 0.835 . . . . 74.32 112.218 174.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 42.3 tt0 -60.25 -54.67 43.06 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.579 0.752 . . . . 51.11 111.752 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -62.45 -40.02 95.25 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.003 -0.544 . . . . 71.14 112.072 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.78 -28.97 66.19 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 112.597 0.592 . . . . 45.02 112.597 177.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 46.1 mtm105 -70.87 -33.85 71.03 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.283 0.492 . . . . 71.24 110.308 171.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -69.23 -24.86 64.07 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.055 0.942 . . . . 61.44 111.067 170.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 27.5 mtpp -79.49 -23.88 42.69 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.095 0.558 . . . . 71.43 111.446 174.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.6 p -96.18 155.33 16.8 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.943 0.497 . . . . 52.04 110.128 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt 71.16 0.85 3.58 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.12 1.368 . . . . 73.23 111.311 -168.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -78.05 113.25 15.8 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.392 1.077 . . . . 73.21 109.052 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.55 88.61 0.5 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 121.5 0.667 . . . . 53.12 111.641 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -104.28 -23.04 13.27 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.427 1.091 . . . . 72.2 109.708 171.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.34 81.33 1.42 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.985 1.314 . . . . 74.43 107.591 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.6 m -63.23 161.74 13.21 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.137 -0.938 . . . . 72.3 111.814 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -58.79 101.03 0.08 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.959 0.903 . . . . 54.21 110.722 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.89 158.28 34.88 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.722 0.809 . . . . 55.03 112.922 -169.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.87 93.88 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.062 0.945 . . . . 61.25 111.91 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.116 0 CA-C-O 121.684 0.602 . . . . 30.32 113.57 -178.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.988 -0.375 . . . . 60.02 109.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -57.96 -44.08 86.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.439 0.695 . . . . 74.13 111.789 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 m -68.28 -34.51 76.3 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.527 0.731 . . . . 70.3 111.622 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.66 -38.5 86.97 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.934 0.894 . . . . 65.45 111.35 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.59 ' HA ' HD12 ' A' ' 19' ' ' LEU . 93.6 t -66.66 -33.5 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.168 0.587 . . . . 71.12 110.971 175.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.27 -42.89 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 122.428 0.291 . . . . 64.52 110.73 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.53 -40.82 96.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.533 0.733 . . . . 63.35 112.073 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 16' ' ' VAL . 67.9 mt -59.04 -41.87 88.86 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.657 -0.701 . . . . 63.5 110.762 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.29 -28.26 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.984 0.914 . . . . 71.13 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.2 -38.37 81.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.238 0.615 . . . . 74.33 110.556 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.551 ' HG2' HD22 ' A' ' 37' ' ' LEU . 17.9 tptp -69.73 -42.28 74.18 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.794 -0.639 . . . . 73.43 110.27 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.6 -44.21 94.68 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.85 1.26 . . . . 75.42 111.761 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -56.03 -41.04 74.36 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.027 0.931 . . . . 54.14 112.195 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -79.76 -44.73 20.15 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.396 0.678 . . . . 75.14 111.599 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 33' ' ' GLU . 20.9 pt20 -142.28 128.17 19.45 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.568 0.699 . . . . 75.32 110.409 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -79.85 -26.72 40.27 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.638 0.775 . . . . 60.41 112.387 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -116.7 127.0 53.99 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.676 0.79 . . . . 64.32 110.129 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.26 133.48 45.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.75 0.42 . . . . 60.15 110.189 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.3 m -84.43 176.85 8.4 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.674 -0.861 . . . . 71.04 108.674 165.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.11 82.57 Favored Pre-proline 0 CA--C 1.577 1.981 0 N-CA-C 114.274 1.213 . . . . 74.02 114.274 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.81 -52.72 4.74 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.18 1.92 . . . . 54.15 114.343 174.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HG2' HE22 ' A' ' 26' ' ' GLN . 1.8 mp0 -65.1 -34.68 78.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.177 0.591 . . . . 61.33 111.784 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 57.6 ttp180 -72.2 -44.65 62.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.536 1.134 . . . . 74.31 111.375 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.68 -38.35 77.01 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.799 0.84 . . . . 72.1 111.748 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 81.1 t60 -62.63 -50.2 72.19 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.864 0.866 . . . . 74.3 111.386 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.8 tp -66.2 -35.94 81.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.776 0.431 . . . . 70.3 110.682 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.47 2.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.439 0.696 . . . . 43.35 111.434 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 64.5 pttt -62.95 -33.82 76.19 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.167 0.587 . . . . 72.44 112.575 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.5 -36.96 84.18 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.274 0.63 . . . . 64.34 112.098 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.48 5.11 41.79 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.113 0.565 . . . . 53.55 111.45 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 62.36 12.94 5.63 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 125.27 1.428 . . . . 54.45 113.632 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.13 177.53 7.76 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.397 1.079 . . . . 60.14 111.339 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.1 p -105.23 156.23 18.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.147 0.579 . . . . 70.02 109.707 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.14 -37.85 62.18 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.17 0.588 . . . . 74.11 111.575 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.2 m -57.34 -57.6 11.91 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.497 0.719 . . . . 72.31 111.686 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -56.43 -45.39 80.79 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.846 0.858 . . . . 64.44 112.483 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.17 -40.28 88.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-N 115.528 -0.76 . . . . 71.13 111.055 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 27.7 ttpp -68.57 -37.74 80.15 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.579 0.752 . . . . 73.42 111.236 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 87.7 mt -62.83 -44.66 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.753 0.821 . . . . 75.43 109.79 174.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 77.6 t90 -61.31 -57.94 10.27 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.964 0.506 . . . . 74.35 110.948 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -58.63 -33.21 69.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.249 0.62 . . . . 61.54 112.534 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.08 -55.35 35.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.942 0.497 . . . . 72.24 110.662 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.09 -44.73 96.92 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.286 -0.87 . . . . 73.42 112.186 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 15.3 mmm-85 -65.13 -33.39 75.9 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.054 0.542 . . . . 73.31 112.408 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 122.703 0.401 . . . . 63.14 110.812 175.202 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 119.571 -0.252 . . . . 60.13 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -54.85 -57.04 13.2 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.643 0.777 . . . . 72.43 111.44 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.501 ' HA ' HD12 ' A' ' 17' ' ' ILE . 22.3 m -64.09 -33.86 76.73 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.084 0.954 . . . . 64.22 111.865 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 41' ' ' LEU . 59.5 tt0 -65.31 -47.26 77.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.966 0.907 . . . . 70.34 111.969 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.09 -37.41 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.322 0.649 . . . . 71.51 111.192 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 14' ' ' THR . 84.8 mt -56.85 -50.55 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.448 0.699 . . . . 74.21 111.475 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 14' ' ' THR . 8.1 mm-40 -61.66 -41.48 97.58 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.58 0.752 . . . . 72.23 111.891 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 37' ' ' LEU . 70.1 mt -62.1 -40.64 96.55 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 115.047 -0.978 . . . . 73.23 111.359 173.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.17 -29.23 61.68 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.577 0.751 . . . . 73.55 112.595 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 74.0 mtp180 -62.45 -48.03 81.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.506 0.723 . . . . 71.32 110.631 172.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.2 tptt -69.73 -37.51 76.52 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.803 -1.09 . . . . 53.41 111.154 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 70.4 t80 -70.82 -36.83 73.12 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.021 0.928 . . . . 70.5 112.483 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -63.44 -38.39 90.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.528 0.731 . . . . 51.34 111.21 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.51 -36.89 57.5 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.43 -0.805 . . . . 73.21 111.048 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.34 132.68 11.92 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-O 121.638 0.732 . . . . 54.5 111.726 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -75.97 -33.6 59.78 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.054 0.941 . . . . 63.22 111.286 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.46 124.42 52.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.314 1.046 . . . . 72.45 110.151 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.13 152.06 21.3 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.045 0.45 . . . . 72.11 111.299 172.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -88.8 162.19 16.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.209 -0.663 . . . . 72.23 109.209 164.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.81 95.79 Favored Pre-proline 0 CA--C 1.575 1.941 0 N-CA-C 113.887 1.069 . . . . 72.12 113.887 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.41 -40.23 59.63 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.083 1.856 . . . . 72.0 113.517 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.04 -37.58 75.62 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.52 0.728 . . . . 63.51 112.057 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 57.7 ttp180 -69.54 -39.54 77.42 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.751 0.82 . . . . 64.04 110.753 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.95 82.01 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.844 0.858 . . . . 75.53 111.978 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.57 -47.48 85.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.784 0.834 . . . . 52.23 111.635 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 22' ' ' LYS . 46.5 tp -68.02 -40.24 82.98 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.545 0.738 . . . . 74.32 110.976 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.41 68.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.51 0.724 . . . . 71.01 112.641 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -37.72 88.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.99 0.516 . . . . 64.34 112.3 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.6 -36.17 79.95 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.297 0.639 . . . . 62.3 111.745 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HB3' HE21 ' A' ' 15' ' ' GLN . 92.7 mt -103.57 6.88 37.56 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.832 0.853 . . . . 72.34 112.616 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 58.6 22.64 10.02 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.761 1.225 . . . . 73.31 113.243 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.58 177.84 6.95 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.133 0.973 . . . . 65.44 110.385 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.2 p -106.54 160.43 15.43 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.094 -0.706 . . . . 72.51 109.094 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.36 -23.68 62.75 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.99 0.516 . . . . 73.24 111.634 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.1 m -63.87 -60.58 3.1 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.548 0.739 . . . . 63.42 110.422 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.45 -39.99 92.87 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.109 0.964 . . . . 73.41 112.295 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.37 -47.14 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.461 0.704 . . . . 74.44 111.177 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 7.4 ttpm? -65.22 -35.2 80.31 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 111.798 0.295 . . . . 70.13 111.798 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.22 -51.97 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.436 0.694 . . . . 61.34 109.87 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -55.41 -53.96 49.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.873 0.869 . . . . 72.5 110.432 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.83 -40.53 84.47 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.991 0.916 . . . . 74.41 112.759 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.11 -46.72 85.98 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.437 0.695 . . . . 74.31 111.719 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -79.28 -22.82 44.13 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.508 0.558 . . . . 75.03 112.508 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.63 -33.29 73.77 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.272 0.229 . . . . 73.2 111.253 168.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 121.307 0.575 . . . . 75.31 109.873 170.425 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.232 -0.285 . . . . 62.52 110.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.61 -61.33 2.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.414 0.686 . . . . 73.51 112.438 -173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.442 ' HA ' HD12 ' A' ' 17' ' ' ILE . 87.7 m -66.36 -30.58 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.384 0.674 . . . . 74.21 111.861 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG3' HD22 ' A' ' 41' ' ' LEU . 62.7 tt0 -62.03 -43.33 99.08 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.298 0.639 . . . . 64.13 111.481 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 19' ' ' LEU . 79.3 t -64.85 -38.89 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.617 0.767 . . . . 71.2 111.192 173.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.4 mt -55.69 -45.74 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 122.745 0.418 . . . . 72.4 110.593 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.39 -44.82 95.55 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.711 0.804 . . . . 71.53 111.762 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 HD21 ' A' ' 37' ' ' LEU . 48.9 mt -58.22 -40.3 81.27 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.561 0.744 . . . . 71.01 111.436 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.03 -35.22 76.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.099 0.96 . . . . 72.32 111.569 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 56.8 mtp180 -63.83 -34.04 77.02 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.26 0.624 . . . . 63.34 111.38 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.5 tptt -80.82 -41.96 22.44 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.764 0.426 . . . . 72.03 110.82 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -64.01 -41.17 97.56 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.215 1.006 . . . . 74.42 112.049 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.7 p -63.67 -30.88 71.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.553 0.741 . . . . 73.51 112.356 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.26 -38.3 22.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.734 0.414 . . . . 61.4 111.262 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -150.72 132.18 14.71 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.256 0.622 . . . . 61.2 111.312 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -83.06 -25.3 32.22 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.374 0.67 . . . . 72.44 111.21 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -118.55 121.64 40.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.353 1.061 . . . . 64.44 109.948 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 34' ' ' ARG . 97.1 mt -96.49 141.25 30.0 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.241 0.616 . . . . 61.14 111.202 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -87.41 174.74 8.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.323 0.649 . . . . 74.52 109.697 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.99 98.37 Favored Pre-proline 0 CA--C 1.574 1.867 0 N-CA-C 114.317 1.228 . . . . 73.32 114.317 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.75 -46.47 13.76 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.902 1.735 . . . . 74.3 113.637 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.23 -40.72 86.38 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.897 0.879 . . . . 73.14 112.414 -173.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 48.5 ttp180 -69.18 -41.57 77.0 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.886 0.874 . . . . 64.51 111.447 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.17 74.73 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.419 0.687 . . . . 51.25 111.85 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -61.29 -44.62 96.92 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.74 0.816 . . . . 64.25 110.438 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD22 ' HG2' ' A' ' 22' ' ' LYS . 29.2 tp -71.62 -36.02 70.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.156 0.582 . . . . 71.31 111.188 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -51.47 69.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.465 0.706 . . . . 60.12 112.013 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -69.57 -34.91 74.83 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.44 0.533 . . . . 74.35 112.44 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.05 -37.07 85.75 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.203 0.601 . . . . 73.32 111.631 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 15' ' ' GLN . 95.6 mt -104.57 2.62 30.96 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.185 0.809 . . . . 71.34 113.185 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt 61.69 17.83 9.04 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.904 0.882 . . . . 74.13 113.082 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.88 179.93 7.63 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.252 1.021 . . . . 74.22 110.476 173.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -102.96 158.33 16.36 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.129 -0.693 . . . . 73.32 109.129 168.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.32 -33.6 63.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.16 0.584 . . . . 72.42 112.033 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -60.8 -50.99 71.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.764 0.825 . . . . 74.43 111.652 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -59.9 -48.52 81.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.478 0.711 . . . . 72.33 112.016 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.6 -46.52 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 C-N-CA 123.741 0.816 . . . . 75.25 111.785 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 86.3 tttt -58.49 -50.59 73.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.92 0.888 . . . . 74.23 112.36 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.92 -35.53 75.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.101 0.96 . . . . 75.23 111.475 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -60.25 -53.66 54.99 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.637 0.375 . . . . 75.32 110.329 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.75 -42.25 78.99 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.769 0.828 . . . . 73.43 112.335 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.35 -44.79 90.36 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.77 0.828 . . . . 64.43 111.863 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.71 -33.64 68.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.467 0.707 . . . . 73.51 111.567 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -38.07 89.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.693 0.397 . . . . 64.51 111.153 172.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.038 0.535 . . . . 73.23 110.601 172.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.7 t . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 118.746 -0.645 . . . . 63.5 109.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -50.97 -58.47 5.95 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.059 0.763 . . . . 72.43 113.059 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 96.4 m -63.39 -33.71 76.15 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.113 0.565 . . . . 73.43 111.485 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.538 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.5 tt0 -67.53 -41.25 84.68 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.321 1.048 . . . . 71.22 112.037 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' SER . 61.7 t -60.29 -44.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.299 0.64 . . . . 70.23 109.814 172.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.5 mt -59.89 -39.31 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.596 0.758 . . . . 73.42 111.342 176.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' THR . 22.9 mm-40 -62.63 -45.57 92.23 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.456 0.702 . . . . 74.11 111.228 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.5 mt -59.18 -38.19 79.22 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.619 0.768 . . . . 62.15 111.168 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.78 -30.36 67.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.907 0.883 . . . . 72.34 111.778 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.4 mtp180 -67.26 -34.74 78.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.002 0.521 . . . . 65.22 111.046 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -75.89 -42.59 48.67 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.18 0.514 . . . . 65.32 110.66 173.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 87.6 t80 -61.42 -37.2 82.63 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.99 1.316 . . . . 72.23 111.922 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.2 p -63.9 -44.11 93.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.586 0.755 . . . . 60.2 112.508 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 111.576 0.213 . . . . 73.52 111.576 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -149.9 133.0 16.27 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.438 0.637 . . . . 70.32 111.154 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -79.58 -37.11 37.07 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.739 0.816 . . . . 74.51 111.385 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.87 123.73 49.52 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.263 1.025 . . . . 72.13 109.293 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.87 148.31 22.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 75.34 111.025 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -89.5 174.73 7.62 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.602 -0.888 . . . . 60.1 108.602 164.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.76 -48.17 94.33 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 113.199 0.815 . . . . 60.12 113.199 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.91 -44.46 24.99 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.493 1.462 . . . . 25.2 113.991 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 118.895 0.771 . . . . 72.3 112.311 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -67.26 -42.12 84.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.315 0.646 . . . . 64.11 111.774 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.72 77.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.343 0.657 . . . . 73.54 112.17 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -57.97 -50.56 72.95 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.86 0.464 . . . . 75.04 111.331 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.1 tp -59.38 -40.91 88.06 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.804 0.842 . . . . 74.11 111.722 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.47 12.73 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.602 0.761 . . . . 74.22 111.859 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.18 -31.49 71.07 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 113.268 0.84 . . . . 75.02 113.268 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.17 -34.06 75.71 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.074 0.549 . . . . 73.45 111.934 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HE21 ' A' ' 15' ' ' GLN . 86.4 mt -107.62 3.8 25.21 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.597 0.759 . . . . 64.01 112.618 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 59.22 26.73 15.58 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 124.733 1.213 . . . . 64.41 113.585 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -87.61 178.59 6.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.526 1.13 . . . . 62.13 110.688 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -107.2 155.65 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.092 -0.706 . . . . 65.4 109.092 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.76 -26.4 65.66 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.558 0.577 . . . . 63.42 112.558 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -66.35 -49.43 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.944 0.498 . . . . 71.31 110.587 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.61 -43.2 99.39 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.461 0.704 . . . . 63.03 111.606 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.71 -37.29 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.439 0.696 . . . . 63.24 111.496 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.5 -50.0 69.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.399 0.68 . . . . 72.34 111.37 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.15 -38.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.869 0.867 . . . . 74.13 111.066 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.466 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 62.7 t90 -60.63 -58.84 6.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.289 0.636 . . . . 64.02 110.225 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.8 -32.62 65.88 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.105 0.78 . . . . 74.43 113.105 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.58 -51.77 57.2 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 122.838 0.455 . . . . 51.51 111.153 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.74 -43.38 94.27 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.634 0.774 . . . . 71.52 111.442 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -58.52 -50.08 75.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.831 0.853 . . . . 72.5 112.614 179.105 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.693 178.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.38 -0.343 . . . . 74.21 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.42 -57.08 13.37 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.992 0.917 . . . . 74.41 112.524 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -63.72 -34.52 78.05 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.738 0.815 . . . . 55.33 111.815 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.44 -43.48 90.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.137 0.975 . . . . 65.55 111.83 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.57 -37.17 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.649 0.78 . . . . 61.21 110.593 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.6 mt -54.74 -46.92 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 122.979 0.511 . . . . 74.4 111.137 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -64.98 -42.68 94.33 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.397 0.679 . . . . 53.13 112.342 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.24 -36.93 85.3 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.817 0.847 . . . . 74.34 111.221 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.48 -41.9 88.28 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.66 1.184 . . . . 72.42 111.406 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 82.5 mtp180 -56.53 -47.26 79.75 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.66 0.784 . . . . 71.24 111.017 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 57.6 tptt -66.58 -41.82 87.95 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.455 -0.793 . . . . 75.5 111.362 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.88 -36.77 84.34 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.758 0.823 . . . . 73.43 111.93 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -65.86 -34.06 77.27 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.745 0.818 . . . . 71.53 112.837 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -82.92 -32.75 27.07 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.003 0.365 . . . . 72.55 111.423 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -157.63 134.21 9.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.099 0.559 . . . . 73.54 111.306 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -77.25 -47.26 20.6 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.959 0.504 . . . . 44.44 110.961 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -97.96 135.81 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.033 0.933 . . . . 73.44 110.529 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.34 154.87 17.85 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.168 0.509 . . . . 71.24 111.609 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.9 m -89.34 164.9 14.7 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.846 -0.798 . . . . 62.53 108.846 165.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.63 98.32 Favored Pre-proline 0 CA--C 1.572 1.817 0 N-CA-C 113.026 0.75 . . . . 73.14 113.026 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.83 -41.79 43.09 Favored 'Trans proline' 0 C--N 1.391 2.809 0 C-N-CA 122.032 1.822 . . . . 73.42 113.409 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.09 -42.11 97.04 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.357 0.663 . . . . 70.12 112.087 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -67.98 -40.94 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.384 0.674 . . . . 73.51 111.79 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.93 97.41 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.249 0.619 . . . . 63.21 111.73 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.75 -47.72 79.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.711 0.804 . . . . 70.24 111.517 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 41.9 tp -64.61 -37.94 89.3 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.641 0.776 . . . . 64.31 110.874 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.75 -55.62 28.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.973 0.909 . . . . 65.35 112.029 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -63.26 -39.49 94.74 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.631 0.604 . . . . 74.14 112.631 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.36 -38.29 90.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.383 0.673 . . . . 74.1 112.058 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.99 1.45 56.26 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.342 0.657 . . . . 75.53 111.922 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 62.79 17.7 10.1 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.751 1.22 . . . . 71.14 113.603 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.0 mt -82.89 -179.12 7.35 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.064 0.945 . . . . 71.5 110.45 171.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -113.25 167.44 10.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.407 0.683 . . . . 71.25 110.006 170.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.14 -24.32 66.19 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.753 0.421 . . . . 61.4 111.932 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.5 m -67.17 -55.26 14.89 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.107 0.563 . . . . 63.34 110.069 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.64 -53.85 53.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.188 0.995 . . . . 73.34 112.45 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -40.05 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 C-N-CA 123.271 0.628 . . . . 74.12 112.053 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -60.21 -50.45 73.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.661 0.384 . . . . 73.51 110.955 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.82 -40.13 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.541 0.736 . . . . 63.42 111.375 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -60.42 -59.77 4.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.096 0.558 . . . . 74.42 111.386 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.88 -34.55 71.77 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.278 0.631 . . . . 74.23 112.648 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.45 -48.56 79.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.92 0.888 . . . . 74.43 110.806 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.38 -45.35 93.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.894 0.878 . . . . 51.4 111.395 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -35.71 72.6 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.966 0.728 . . . . 74.12 112.966 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.897 0.38 . . . . 75.11 111.315 175.036 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.787 -0.449 . . . . 55.53 109.787 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.419 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.9 t60 -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.717 0.407 . . . . 72.44 110.675 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.7 m -64.3 -38.17 90.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.334 0.654 . . . . 53.54 110.76 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -47.35 85.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.752 0.821 . . . . 71.43 111.252 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.49 -39.77 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-N 116.061 -0.518 . . . . 74.33 111.046 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 13' ' ' HIS . 79.6 mt -59.02 -46.12 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 122.941 0.496 . . . . 41.34 111.084 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.4 -43.25 99.19 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.523 0.729 . . . . 73.41 111.609 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -41.92 94.3 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 123.851 0.86 . . . . 64.2 111.39 173.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.01 -35.87 77.15 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.132 0.973 . . . . 63.12 112.104 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.96 -38.34 82.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.409 0.684 . . . . 62.23 110.655 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 37' ' ' LEU . 16.1 tppt? -73.2 -45.18 57.78 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.131 0.573 . . . . 63.44 110.962 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.82 -37.43 79.17 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.473 1.109 . . . . 72.12 111.656 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -61.89 -39.06 90.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.232 1.013 . . . . 73.33 112.579 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.11 -34.17 20.7 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.038 0.535 . . . . 73.34 111.798 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' HD23 ' A' ' 29' ' ' LEU . 19.7 pt20 -152.06 133.31 14.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.717 0.807 . . . . 72.03 110.846 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB3' HH11 ' A' ' 56' ' ' ARG . 46.8 mmtm -86.14 -20.22 28.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.74 0.816 . . . . 73.22 112.007 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -123.49 129.02 50.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.808 0.843 . . . . 64.33 110.576 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ARG . 85.8 mt -99.2 137.18 38.08 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.572 0.749 . . . . 72.03 110.991 174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 m -74.41 162.09 29.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.99 -0.744 . . . . 74.33 108.99 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.68 -45.79 98.57 Favored Pre-proline 0 CA--C 1.575 1.936 0 N-CA-C 113.929 1.085 . . . . 63.24 113.929 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -59.75 -45.37 25.41 Favored 'Trans proline' 0 C--N 1.39 2.737 0 C-N-CA 122.022 1.814 . . . . 52.13 113.725 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.47 -38.95 85.19 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.37 0.668 . . . . 70.32 111.876 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' A' ' 29' ' ' LEU . 47.7 ttp180 -69.36 -40.8 77.26 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.048 0.939 . . . . 72.25 111.304 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.76 90.6 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.532 0.733 . . . . 74.52 111.577 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.61 -39.52 91.63 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.997 0.919 . . . . 75.05 111.386 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.1 tp -74.75 -42.56 58.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.934 0.493 . . . . 74.12 110.94 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.8 90.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.599 0.76 . . . . 63.33 112.383 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -65.95 -33.09 75.02 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.73 0.641 . . . . 73.24 112.73 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -61.72 -36.74 81.81 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.023 0.529 . . . . 54.14 111.419 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.26 11.77 23.42 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.524 0.73 . . . . 62.23 112.025 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 55.7 17.44 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 114.304 1.224 . . . . 74.12 114.304 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.6 175.35 10.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.882 0.873 . . . . 70.44 110.402 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -102.21 157.33 16.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.877 -0.786 . . . . 62.44 108.877 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.83 -39.8 62.79 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 112.937 0.718 . . . . 74.33 112.937 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -65.67 -43.22 89.98 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.875 0.47 . . . . 73.13 111.732 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -57.3 -48.51 78.76 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.21 0.604 . . . . 75.3 111.761 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.92 -49.54 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.646 0.778 . . . . 71.33 111.735 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.13 80.89 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.435 0.694 . . . . 72.45 111.891 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.97 -34.36 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 118.922 -0.561 . . . . 54.15 110.711 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.5 t90 -56.25 -55.34 34.5 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.227 0.467 . . . . 72.43 109.777 172.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -49.66 -44.31 47.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.836 0.855 . . . . 63.12 111.856 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.69 -39.98 95.69 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 123.545 0.738 . . . . 74.45 112.151 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -64.15 -42.83 96.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.581 0.752 . . . . 65.33 110.433 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 12.0 mmm180 -69.43 -29.84 67.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.208 1.003 . . . . 74.32 112.54 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' A' ' 27' ' ' LYS . 66.2 mtp85 . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.099 0.476 . . . . 71.32 110.796 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 t . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 110.175 -0.305 . . . . 53.11 110.175 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -56.68 -56.57 19.81 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 113.08 0.77 . . . . 75.43 113.08 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.8 m -65.49 -30.55 71.34 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 122.984 0.514 . . . . 54.12 111.773 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -66.33 -42.37 88.27 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.295 0.638 . . . . 73.31 111.293 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 12' ' ' SER . 98.3 t -60.95 -40.99 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.55 0.74 . . . . 42.12 109.992 172.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' THR . 78.6 mt -55.52 -49.57 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.412 0.685 . . . . 74.23 111.263 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.03 -41.03 99.43 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.557 0.743 . . . . 73.14 112.179 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 37' ' ' LEU . 76.6 mt -63.01 -39.95 96.31 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.398 -0.819 . . . . 75.41 111.275 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -68.79 -36.15 77.92 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.007 0.923 . . . . 73.44 111.624 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.04 -51.32 69.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.444 0.698 . . . . 63.15 110.319 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.557 ' HG2' HD22 ' A' ' 37' ' ' LEU . 55.0 tptt -61.89 -40.27 94.84 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 123.332 0.653 . . . . 53.25 111.129 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.29 -36.28 81.63 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.724 1.209 . . . . 74.04 111.013 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -63.42 -44.64 94.02 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.489 0.716 . . . . 75.22 111.901 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -77.08 -31.78 56.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.31 0.244 . . . . 74.43 111.177 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.41 136.05 10.34 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.432 0.693 . . . . 74.22 111.288 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -84.5 -32.0 24.19 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.006 0.922 . . . . 74.42 111.299 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.48 121.57 44.9 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.881 0.872 . . . . 72.33 110.587 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.47 139.27 32.0 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.167 0.587 . . . . 64.15 110.476 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -78.76 171.88 14.53 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.428 -0.582 . . . . 72.01 109.428 169.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.36 99.15 Favored Pre-proline 0 CA--C 1.573 1.827 0 N-CA-C 113.678 0.992 . . . . 64.31 113.678 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.12 -33.09 26.03 Favored 'Trans proline' 0 C--N 1.388 2.652 0 CA-C-N 121.209 1.467 . . . . 73.4 113.09 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.77 -43.18 59.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.821 0.848 . . . . 62.22 112.016 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.47 -40.29 89.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.645 0.778 . . . . 74.24 110.885 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.19 88.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.375 0.67 . . . . 53.34 111.631 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -65.61 -42.57 91.44 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.122 0.569 . . . . 73.23 111.208 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HG2' ' A' ' 22' ' ' LYS . 58.7 tp -65.9 -43.05 89.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.565 0.746 . . . . 75.53 110.878 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.76 30.69 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.655 0.782 . . . . 40.13 112.247 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.23 83.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.492 0.553 . . . . 73.55 112.492 -174.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.65 -35.09 79.39 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.303 0.641 . . . . 74.51 112.087 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -98.63 10.05 41.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.602 0.761 . . . . 62.44 111.566 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 60.38 12.97 3.73 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.912 1.285 . . . . 74.31 113.498 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.86 177.85 7.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.493 1.117 . . . . 71.35 111.656 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -107.47 156.84 18.53 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.615 0.766 . . . . 73.13 109.613 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.09 -29.52 65.52 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.174 0.59 . . . . 73.22 112.401 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -63.38 -56.47 16.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.248 0.619 . . . . 63.43 110.481 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.5 -44.46 96.32 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.469 0.707 . . . . 74.45 112.656 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -42.78 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.036 0.534 . . . . 62.4 110.971 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.07 -38.49 91.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.069 0.548 . . . . 74.25 111.752 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.28 -48.61 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.326 0.651 . . . . 74.33 110.564 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 86.5 t90 -58.49 -51.56 69.34 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.112 0.565 . . . . 74.03 110.54 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.03 -42.25 76.21 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.606 0.762 . . . . 64.11 111.968 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.44 -49.02 73.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.69 0.796 . . . . 73.12 111.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.6 -40.64 95.55 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.402 0.681 . . . . 65.22 110.89 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -63.88 -35.32 80.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.593 0.757 . . . . 75.3 111.562 178.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 . . . . . 0 CA--C 1.555 1.15 0 C-N-CA 124.302 1.041 . . . . 74.14 111.161 174.058 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.981 -0.533 . . . . 74.43 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -50.18 -59.54 3.83 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.5 0.72 . . . . 75.33 112.493 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -67.32 -30.41 70.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.792 0.437 . . . . 74.04 111.927 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -63.63 -43.67 96.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.992 0.517 . . . . 73.22 111.371 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.14 -37.75 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 119.044 -0.503 . . . . 74.03 110.292 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 45.3 mm -54.82 -49.6 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 122.628 0.371 . . . . 71.34 110.452 175.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 17.1 mm-40 -64.12 -43.52 95.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.901 0.881 . . . . 71.55 112.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.01 -40.7 90.19 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.695 0.798 . . . . 74.05 111.336 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.94 -33.66 70.72 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.659 1.184 . . . . 63.12 111.655 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 81.1 mtp180 -58.29 -48.0 81.86 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.487 0.715 . . . . 72.54 110.897 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.3 tptm -74.7 -34.67 62.65 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.314 -0.857 . . . . 73.23 111.595 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.59 -40.25 88.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.476 0.71 . . . . 74.43 111.033 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.5 m -71.56 -26.03 62.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.279 0.632 . . . . 72.42 111.168 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -74.1 -41.0 62.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.74 . . . . 61.24 110.618 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -162.54 135.52 5.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.478 1.111 . . . . 70.31 109.787 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.51 -24.11 36.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 75.34 111.116 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -123.0 124.52 43.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.809 0.844 . . . . 74.51 110.58 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.98 154.64 18.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.683 0.793 . . . . 75.12 110.978 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -85.76 174.99 8.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.23 0.612 . . . . 74.21 109.495 166.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.46 98.62 Favored Pre-proline 0 CA--C 1.567 1.596 0 CA-C-O 118.754 -0.641 . . . . 72.03 112.378 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.61 -48.05 12.13 Favored 'Trans proline' 0 C--N 1.389 2.671 0 C-N-CA 121.658 1.572 . . . . 72.11 113.088 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -59.6 -39.7 85.07 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.984 0.914 . . . . 72.11 113.357 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -70.36 -39.74 74.44 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.608 0.763 . . . . 53.45 110.654 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -37.95 81.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.626 0.771 . . . . 73.22 111.592 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.47 -57.12 13.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.223 0.609 . . . . 72.44 109.763 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 ' HG2' ' A' ' 22' ' ' LYS . 32.6 tp -62.36 -37.53 86.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.111 0.564 . . . . 75.12 111.711 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.35 -57.63 11.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.334 0.654 . . . . 54.3 111.322 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.65 -28.41 66.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.245 0.461 . . . . 74.44 112.245 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -38.57 88.83 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.579 0.752 . . . . 63.2 111.777 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -108.9 10.9 26.33 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.63 0.772 . . . . 74.41 112.649 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.12 28.93 13.72 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.586 1.154 . . . . 72.14 113.046 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.6 174.54 7.46 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.419 1.088 . . . . 71.12 110.297 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.0 p -103.7 154.23 19.77 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.796 -0.816 . . . . 65.43 108.796 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.19 -19.63 61.82 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.747 0.419 . . . . 53.23 111.973 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -70.74 -52.7 19.16 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.612 0.765 . . . . 75.14 110.753 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -62.61 -41.31 98.92 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.746 0.818 . . . . 73.0 112.398 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.37 -39.88 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.328 0.651 . . . . 71.5 111.007 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.71 -48.65 79.82 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.505 0.722 . . . . 73.21 111.902 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.39 -46.79 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.777 0.831 . . . . 73.3 110.524 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 79.8 t90 -54.91 -59.93 4.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.524 0.73 . . . . 74.22 109.866 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.3 m-85 -49.16 -44.42 42.77 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.964 0.906 . . . . 62.44 112.584 176.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -56.26 -55.33 34.55 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.362 0.665 . . . . 74.4 112.105 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -64.21 -38.57 91.51 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.842 0.457 . . . . 73.15 111.893 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 24.4 mmm180 -65.89 -32.39 73.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.709 0.633 . . . . 70.3 112.709 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 65.2 mtt180 . . . . . 0 N--CA 1.49 1.54 0 C-N-CA 122.766 0.426 . . . . 74.43 110.37 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 110.641 -0.133 . . . . 54.34 110.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.22 -50.92 69.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.296 0.638 . . . . 72.53 111.976 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.4 m -68.74 -32.65 72.57 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.139 0.576 . . . . 75.12 111.087 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -62.85 -43.07 99.79 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.598 0.759 . . . . 71.42 111.193 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 19' ' ' LEU . 47.5 t -62.8 -35.63 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.467 0.707 . . . . 72.32 111.229 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.25 -47.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 122.787 0.435 . . . . 71.51 110.504 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.44 -43.65 84.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.419 0.688 . . . . 73.13 111.231 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.0 mt -59.36 -39.28 82.73 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 123.872 0.869 . . . . 65.54 111.053 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 44.9 mt-10 -70.28 -25.9 63.56 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.209 1.004 . . . . 73.21 112.726 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -62.51 -48.08 81.15 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 118.151 0.432 . . . . 71.14 110.993 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD22 ' A' ' 37' ' ' LEU . 49.4 tptt -69.4 -37.12 77.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.181 0.592 . . . . 72.02 110.966 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -68.94 -32.57 72.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.579 1.152 . . . . 71.54 111.267 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -61.85 -39.68 92.71 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.847 0.859 . . . . 54.34 111.586 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -73.24 -44.69 59.03 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.384 0.673 . . . . 63.1 111.029 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.19 145.51 18.05 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.417 0.627 . . . . 70.24 112.029 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.8 -22.82 25.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.362 1.065 . . . . 63.32 112.191 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -125.74 109.68 12.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.878 0.871 . . . . 71.33 110.195 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.88 145.81 25.87 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.258 0.551 . . . . 74.51 112.053 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -86.46 171.68 10.93 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.816 -0.629 . . . . 60.04 109.438 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.82 92.81 Favored Pre-proline 0 CA--C 1.577 2.003 0 N-CA-C 114.29 1.218 . . . . 62.21 114.29 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.9 -56.19 0.84 Allowed 'Trans proline' 0 C--N 1.389 2.694 0 C-N-CA 121.82 1.68 . . . . 74.15 113.7 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.71 -37.86 88.95 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.827 0.851 . . . . 60.0 112.978 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.49 -38.86 92.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.291 0.636 . . . . 64.11 111.3 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.32 73.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.566 0.746 . . . . 51.5 112.203 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -63.52 -49.2 74.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.964 0.505 . . . . 73.31 110.783 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.6 tp -64.56 -38.84 92.39 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.199 0.6 . . . . 74.11 111.22 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.35 22.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.798 0.839 . . . . 51.13 112.279 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -63.86 -35.27 80.1 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 112.818 0.673 . . . . 75.43 112.818 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -64.47 -26.61 68.51 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 112.65 0.611 . . . . 70.31 112.65 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -111.71 15.15 21.11 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 113.339 0.866 . . . . 73.23 113.339 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 56.42 19.74 4.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.237 0.828 . . . . 74.4 113.237 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -92.09 178.35 5.89 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.054 0.942 . . . . 74.31 110.439 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -114.81 166.16 12.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.315 0.646 . . . . 75.25 109.567 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.18 -27.76 69.59 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.04 0.536 . . . . 71.41 110.903 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -63.54 -55.69 21.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.636 0.774 . . . . 71.42 110.447 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.45 -49.18 78.6 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.968 0.907 . . . . 73.43 112.087 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.36 -37.75 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.692 0.797 . . . . 61.45 111.468 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -68.05 -38.84 82.95 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.426 0.291 . . . . 74.12 111.326 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.69 -49.58 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.003 0.521 . . . . 74.2 110.354 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 83.8 t90 -59.23 -54.89 41.72 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-O 119.009 -0.52 . . . . 72.22 111.111 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -57.37 -38.37 74.11 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.949 0.722 . . . . 72.14 112.949 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.84 -54.03 41.33 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.622 0.769 . . . . 75.12 111.405 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' HD22 ' A' ' 54' ' ' ASN . 0.8 OUTLIER -65.11 -43.38 92.21 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.306 1.043 . . . . 73.45 111.421 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 13.6 tpt180 -62.56 -45.66 91.9 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.407 1.083 . . . . 72.44 111.159 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? . . . . . 0 CA--C 1.547 0.828 0 C-N-CA 123.449 0.7 . . . . 62.4 109.799 177.45 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 118.683 -0.675 . . . . 73.14 109.664 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.73 -48.84 74.51 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.474 0.579 . . . . 74.4 112.522 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -63.69 -39.31 94.01 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.859 0.463 . . . . 60.12 110.823 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 41' ' ' LEU . 62.9 tt0 -63.02 -44.21 96.59 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.291 1.036 . . . . 71.13 112.11 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.84 -42.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.632 0.773 . . . . 73.52 110.215 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 85.7 mt -59.01 -40.31 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 123.703 0.801 . . . . 64.52 111.33 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.0 mm-40 -64.57 -44.81 89.51 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.21 0.604 . . . . 72.51 110.967 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.06 -36.61 77.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.097 0.959 . . . . 73.41 111.125 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.133 0.973 . . . . 73.15 112.313 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 44.2 mtm180 -68.34 -30.81 69.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 120.729 0.3 . . . . 64.15 111.032 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -77.14 -42.05 39.36 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.288 0.635 . . . . 44.11 110.138 172.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.77 -42.07 97.85 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.783 1.233 . . . . 74.32 112.568 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -66.77 -22.04 66.04 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.966 0.906 . . . . 73.22 112.961 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -93.89 -37.22 11.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.825 0.45 . . . . 72.4 111.023 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.13 128.56 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.813 0.816 . . . . 75.43 111.404 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -81.44 -24.49 36.81 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.417 -0.811 . . . . 73.3 111.418 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -117.9 136.98 53.12 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.373 1.069 . . . . 63.05 110.919 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.87 145.4 30.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.768 0.827 . . . . 72.3 111.125 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.6 m -83.32 169.6 15.49 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.68 -0.489 . . . . 73.05 109.68 168.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.53 99.26 Favored Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 113.71 1.004 . . . . 64.45 113.71 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.62 -49.13 12.61 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 121.837 1.691 . . . . 73.5 112.96 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.48 -43.64 98.5 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.949 0.899 . . . . 53.42 112.794 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.05 -37.6 75.59 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.479 -0.782 . . . . 71.54 111.603 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.03 90.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.461 0.704 . . . . 31.12 111.864 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -64.9 -46.59 81.08 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.98 0.512 . . . . 70.1 111.98 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.0 tp -63.33 -33.86 76.45 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.807 0.443 . . . . 63.02 111.188 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.81 -57.16 8.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.401 0.681 . . . . 71.21 112.149 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.8 -40.32 96.37 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.557 0.577 . . . . 74.43 112.557 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -66.5 -33.02 74.75 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.367 0.667 . . . . 65.34 112.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HB3' HE21 ' A' ' 15' ' ' GLN . 90.3 mt -102.14 11.82 37.73 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.298 0.639 . . . . 73.35 111.917 175.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mptt 59.41 16.69 5.34 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.907 1.283 . . . . 73.03 113.889 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -86.89 -179.05 6.45 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.915 0.886 . . . . 60.11 110.329 173.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -110.0 160.0 16.8 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.027 -0.731 . . . . 73.41 109.027 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.35 -34.98 64.72 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.301 0.641 . . . . 72.04 111.428 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 85.1 m -62.26 -52.23 64.57 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.434 0.694 . . . . 74.02 111.06 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.63 -44.98 95.97 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.803 0.841 . . . . 74.3 112.305 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.73 -42.8 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.431 0.692 . . . . 72.33 111.248 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.84 -42.43 97.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.068 0.547 . . . . 73.25 111.488 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 99.5 mt -62.56 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.718 0.807 . . . . 63.3 110.533 178.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -57.85 -56.86 16.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.316 0.646 . . . . 73.14 110.481 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -56.39 -38.24 71.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.879 0.872 . . . . 72.23 112.715 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.4 -54.56 30.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.501 0.72 . . . . 41.41 111.302 178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.37 -40.83 95.74 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.538 0.735 . . . . 72.21 112.036 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -60.23 -44.32 95.3 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.529 0.566 . . . . 74.14 112.529 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.023 0.44 . . . . 72.33 110.817 174.332 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 119.426 -0.321 . . . . 61.44 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 84.8 t60 -60.22 -46.24 90.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.137 0.575 . . . . 70.41 111.41 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 17' ' ' ILE . 35.0 m -64.66 -34.75 79.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.473 0.709 . . . . 34.12 111.201 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.73 -41.51 83.37 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.644 0.778 . . . . 64.42 111.732 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.531 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.5 t -64.57 -33.67 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 122.999 0.519 . . . . 75.1 110.999 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.3 mt -57.28 -47.16 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 122.99 0.516 . . . . 53.23 110.197 171.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.46 -41.28 98.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.749 0.82 . . . . 75.33 112.045 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 16' ' ' VAL . 60.6 mt -59.15 -40.85 86.8 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.76 0.824 . . . . 53.23 111.093 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.54 -26.66 60.11 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.923 0.889 . . . . 64.3 112.463 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.8 mtp180 -60.85 -36.34 78.9 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.005 0.522 . . . . 52.42 110.827 171.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -83.0 -37.87 23.41 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.588 -0.733 . . . . 65.44 110.709 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.33 -37.39 85.24 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.347 1.059 . . . . 70.42 112.556 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.1 p -64.79 -29.16 70.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.583 0.753 . . . . 53.14 112.578 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -85.26 -35.84 21.29 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.923 0.489 . . . . 63.22 110.914 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -154.91 131.86 10.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.268 0.627 . . . . 70.14 110.623 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -75.61 -18.71 59.62 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.763 0.825 . . . . 74.25 112.213 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -141.2 137.69 32.82 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.004 0.922 . . . . 74.33 110.554 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -95.5 166.17 11.99 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.968 0.907 . . . . 42.35 112.159 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -89.2 163.78 15.26 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.294 -1.002 . . . . 71.43 108.294 165.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.59 99.72 Favored Pre-proline 0 CA--C 1.569 1.676 0 N-CA-C 113.199 0.814 . . . . 54.12 113.199 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.57 -42.38 55.06 Favored 'Trans proline' 0 C--N 1.393 2.873 0 C-N-CA 122.041 1.827 . . . . 75.44 113.858 172.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.65 -34.55 74.16 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 123.683 0.793 . . . . 65.35 112.297 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -65.96 -43.61 87.41 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.438 1.095 . . . . 73.34 110.655 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.14 70.5 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.363 -0.835 . . . . 74.53 111.771 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.26 -39.86 94.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.26 1.024 . . . . 74.32 110.872 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 HD23 ' A' ' 19' ' ' LEU . 26.7 tp -80.22 -37.36 33.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.337 0.655 . . . . 63.02 111.116 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -50.4 72.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 64.33 112.213 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.49 -40.68 95.43 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.664 0.616 . . . . 62.32 112.664 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -58.66 -46.11 87.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.113 0.565 . . . . 72.32 111.534 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.7 mt -96.81 7.04 47.51 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.382 -0.826 . . . . 62.25 112.36 -174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 57.75 21.99 7.99 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.461 1.104 . . . . 71.55 112.804 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD22 ' NE2' ' A' ' 47' ' ' GLN . 92.3 mt -86.13 173.8 9.59 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.97 0.908 . . . . 72.24 110.371 176.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -98.94 158.45 15.63 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.551 -0.907 . . . . 61.11 108.551 171.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.29 -28.99 65.5 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.64 0.257 . . . . 64.41 111.633 172.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 92.5 m -62.5 -53.4 55.31 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 123.647 0.779 . . . . 64.35 110.796 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' NE2' HD22 ' A' ' 43' ' ' LEU . 28.9 mt-30 -65.29 -38.98 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.69 0.796 . . . . 72.13 112.902 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.45 -44.82 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 122.75 0.42 . . . . 65.12 110.399 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.04 -42.55 90.51 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.437 0.695 . . . . 54.12 111.564 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 96.8 mt -63.83 -48.62 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.884 0.874 . . . . 74.01 111.219 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 89.2 t90 -60.34 -54.13 49.32 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.353 0.408 . . . . 74.1 110.766 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.9 m-85 -58.54 -36.59 74.11 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.57 0.544 . . . . 74.01 112.43 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.95 -51.88 54.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.747 0.819 . . . . 61.42 111.257 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -58.12 -42.53 85.98 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.826 0.851 . . . . 74.21 110.997 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 5.1 tpt180 -66.95 -35.99 81.23 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.259 1.024 . . . . 73.43 112.084 -174.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 52' ' ' PHE . 81.5 mtm-85 . . . . . 0 N--CA 1.481 1.087 0 C-N-CA 122.654 0.381 . . . . 64.31 110.692 173.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.9 t . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 119.406 -0.33 . . . . 72.03 110.641 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -57.33 -62.43 1.78 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.725 0.639 . . . . 73.42 112.725 -171.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -60.06 -33.29 71.85 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.765 0.826 . . . . 60.23 111.415 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.46 -44.51 86.97 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.677 1.191 . . . . 72.35 112.493 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' SER . 75.6 t -60.83 -43.84 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.319 0.648 . . . . 73.13 110.138 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 58.5 mt -60.35 -39.13 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 123.444 0.698 . . . . 52.43 110.872 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.09 -43.22 92.83 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.474 0.71 . . . . 73.32 112.212 175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.49 -40.64 92.06 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.709 0.804 . . . . 62.43 110.624 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.85 -36.42 82.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.556 1.142 . . . . 75.31 112.104 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 79.4 mtp180 -58.64 -38.59 78.44 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.382 0.673 . . . . 75.34 111.052 173.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 29' ' ' LEU . 50.3 tptt -80.8 -36.19 32.05 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 115.94 -0.573 . . . . 75.24 111.61 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -67.91 -37.34 81.57 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.066 0.946 . . . . 74.35 112.165 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -65.84 -28.51 69.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.851 0.86 . . . . 64.23 111.744 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -81.98 -42.27 19.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.931 0.492 . . . . 75.42 111.472 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -151.36 134.57 15.99 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 121.639 0.733 . . . . 62.34 111.672 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 40.7 mmtm -73.12 -24.59 60.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.314 1.046 . . . . 73.42 113.681 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.34 143.39 35.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.945 0.898 . . . . 70.02 110.251 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 22' ' ' LYS . 57.8 mt -96.81 152.83 18.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.12 0.568 . . . . 70.55 111.269 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -83.94 168.67 15.8 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.766 -0.827 . . . . 60.42 108.766 166.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.15 98.56 Favored Pre-proline 0 CA--C 1.572 1.802 0 N-CA-C 113.906 1.076 . . . . 63.23 113.906 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -60.99 -50.96 5.24 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 121.822 1.681 . . . . 61.11 113.631 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.07 -38.04 84.82 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 123.537 0.735 . . . . 74.33 112.365 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -72.12 -41.63 66.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.412 0.685 . . . . 74.42 111.315 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.01 80.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.61 0.764 . . . . 61.22 112.042 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.89 -46.31 88.42 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.837 -0.62 . . . . 71.3 111.669 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.2 tp -65.06 -39.44 93.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.52 0.328 . . . . 71.45 111.131 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.49 57.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.613 0.765 . . . . 71.25 112.189 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -30.32 70.1 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.634 0.605 . . . . 63.14 112.634 -177.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.5 -46.84 87.67 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.061 0.544 . . . . 54.3 111.001 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -92.81 1.6 57.2 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.049 0.94 . . . . 74.32 112.398 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 62.93 17.13 9.78 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.374 1.07 . . . . 71.52 112.9 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.34 177.16 8.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.34 1.056 . . . . 74.43 110.755 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -105.15 157.93 16.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.199 -0.667 . . . . 63.14 109.199 170.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.98 -29.12 64.98 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.867 0.467 . . . . 73.42 111.99 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -65.38 -53.41 43.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.264 0.625 . . . . 52.53 110.444 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -57.76 -48.86 78.43 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.888 0.875 . . . . 62.4 112.408 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.66 -46.23 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.745 . . . . 73.02 111.316 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -69.33 -34.87 75.29 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 122.728 0.411 . . . . 74.23 111.657 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.79 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.187 0.595 . . . . 72.21 110.189 173.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -57.78 -56.45 21.81 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.325 0.65 . . . . 71.43 110.619 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.22 -40.08 61.13 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.637 0.775 . . . . 73.53 111.955 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -50.61 71.06 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.01 0.924 . . . . 54.04 112.519 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -59.44 -50.01 75.58 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.575 0.75 . . . . 54.21 110.618 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -33.61 72.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.587 -1.188 . . . . 71.15 112.296 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.703 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mmm180 . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 123.432 0.693 . . . . 61.02 111.347 174.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 119.327 -0.368 . . . . 74.52 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -57.41 -58.04 10.02 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.16 0.8 . . . . 62.52 113.16 -171.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 17' ' ' ILE . 27.9 m -62.57 -28.04 69.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.241 0.616 . . . . 73.02 111.692 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.02 -38.61 66.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.847 0.859 . . . . 74.11 111.707 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.63 -33.1 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.631 0.773 . . . . 73.23 110.386 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 77.3 mt -56.56 -51.27 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.08 0.552 . . . . 74.22 110.608 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.11 -43.0 99.79 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.785 0.834 . . . . 75.13 111.957 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 37' ' ' LEU . 28.8 mt -60.49 -36.85 79.3 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.259 1.024 . . . . 70.24 111.423 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.44 -29.64 47.13 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.187 0.595 . . . . 73.31 112.598 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 85.0 mtp180 -60.58 -32.51 71.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.271 0.558 . . . . 65.41 110.188 171.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.25 -44.25 19.99 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.964 0.905 . . . . 65.44 111.432 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -67.33 -31.76 72.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.156 0.982 . . . . 75.32 112.628 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -69.8 -32.49 70.98 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.29 0.636 . . . . 41.41 112.173 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.28 -37.51 32.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.107 0.563 . . . . 75.12 111.386 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.481 ' NE2' HD23 ' A' ' 29' ' ' LEU . 20.6 pt20 -155.87 142.43 18.66 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.513 0.673 . . . . 75.23 111.867 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.85 -22.4 20.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.452 0.701 . . . . 70.25 111.85 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.62 114.74 21.02 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.416 0.687 . . . . 72.02 110.542 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' NE2' ' A' ' 26' ' ' GLN . 93.8 mt -92.17 146.7 23.51 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.581 0.752 . . . . 74.41 111.254 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -76.56 173.81 11.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.065 0.546 . . . . 72.44 109.999 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.25 94.99 Favored Pre-proline 0 CA--C 1.565 1.555 0 CA-C-O 118.499 -0.762 . . . . 74.22 112.58 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.49 -50.8 8.64 Favored 'Trans proline' 0 C--N 1.387 2.599 0 C-N-CA 121.667 1.578 . . . . 54.3 113.181 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.6 mp0 -64.78 -39.18 93.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -174.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.493 HH11 ' HB3' ' A' ' 45' ' ' GLU . 32.8 ttp85 -64.18 -39.83 94.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.187 0.595 . . . . 74.55 110.884 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.09 73.79 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.385 0.674 . . . . 71.31 112.341 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -66.79 -38.32 86.3 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.46 0.704 . . . . 73.23 110.427 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 19' ' ' LEU . 21.3 tp -74.12 -38.46 63.79 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.589 -0.732 . . . . 64.14 110.646 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.59 -55.41 35.4 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.683 0.793 . . . . 52.45 112.29 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.03 0.752 . . . . 74.23 113.03 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.21 -38.76 92.43 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 75.43 112.198 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -96.72 8.17 44.88 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.393 0.677 . . . . 74.22 112.75 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 56.76 24.48 9.12 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.127 0.971 . . . . 70.45 113.426 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -88.04 179.48 6.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.062 0.945 . . . . 72.42 110.494 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.0 p -106.89 161.69 14.48 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.911 -0.774 . . . . 71.33 108.911 168.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HB3' HH11 ' A' ' 34' ' ' ARG . 55.2 mt-10 -59.74 -34.41 72.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.773 0.429 . . . . 71.3 111.773 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 87.2 m -63.62 -46.08 87.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.044 0.537 . . . . 74.14 110.802 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.86 -43.11 94.06 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.676 0.621 . . . . 74.21 112.676 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.18 -43.5 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.592 0.357 . . . . 42.33 110.065 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -61.32 -40.42 94.12 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 122.879 0.472 . . . . 70.41 111.979 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' THR . 97.5 mt -61.16 -59.68 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.461 0.704 . . . . 73.14 110.608 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -51.44 -58.77 5.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.104 0.878 . . . . 74.13 110.023 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -55.17 -38.57 68.48 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.137 0.792 . . . . 73.21 113.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.59 -52.08 62.52 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.896 0.478 . . . . 73.25 111.69 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.639 0.376 . . . . 55.02 111.359 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -63.16 -34.09 76.87 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.184 0.594 . . . . 74.34 111.914 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 . . . . . 0 N--CA 1.479 1.003 0 C-N-CA 122.804 0.442 . . . . 65.34 110.132 174.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 119.546 -0.264 . . . . 71.45 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.7 -56.74 17.66 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.609 0.764 . . . . 75.13 112.869 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -65.16 -32.61 74.38 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.639 0.376 . . . . 73.25 111.632 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.17 -46.82 88.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.18 0.592 . . . . 53.31 111.027 174.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.584 ' HA ' HD12 ' A' ' 19' ' ' LEU . 98.4 t -64.42 -30.41 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.161 0.584 . . . . 74.02 111.556 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.58 -48.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 CA-C-N 118.459 0.572 . . . . 73.35 110.454 173.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 15.3 mm-40 -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.75 0.82 . . . . 75.45 111.901 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.7 mt -62.74 -46.78 86.5 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.079 0.951 . . . . 65.25 111.142 171.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.86 -29.89 70.86 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.252 1.021 . . . . 72.34 112.172 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 80.3 mtp180 -59.38 -53.46 57.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.151 0.58 . . . . 73.14 110.673 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HG2' HD22 ' A' ' 37' ' ' LEU . 47.7 tptt -64.0 -37.06 86.03 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.625 -0.716 . . . . 73.53 111.543 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -66.01 -42.8 89.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.383 1.073 . . . . 74.15 111.217 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -61.85 -30.15 70.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.064 0.946 . . . . 75.13 112.628 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -79.46 -46.45 17.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.542 0.337 . . . . 64.45 111.644 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -154.86 143.0 20.26 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.331 0.653 . . . . 62.31 111.548 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 30.4 mmtp -89.85 -17.25 28.44 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.513 0.931 . . . . 64.35 113.513 -172.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.06 127.29 33.72 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.641 0.777 . . . . 74.03 110.567 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 22' ' ' LYS . 53.2 mt -100.5 137.92 38.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.157 0.583 . . . . 73.43 111.109 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.5 m -77.77 174.16 11.29 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.687 -0.486 . . . . 72.2 109.687 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.85 79.44 Favored Pre-proline 0 CA--C 1.574 1.897 0 N-CA-C 114.208 1.188 . . . . 74.3 114.208 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.65 -49.68 6.74 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.825 1.683 . . . . 70.04 114.206 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.63 -33.28 68.8 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.438 0.695 . . . . 71.43 112.864 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.06 -44.15 73.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.53 0.732 . . . . 74.21 110.673 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.52 80.68 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.101 -0.954 . . . . 62.43 111.533 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.72 -49.35 66.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.721 0.808 . . . . 64.54 111.204 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.0 tp -64.8 -37.12 86.54 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.11 0.481 . . . . 70.44 110.656 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -51.3 64.99 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.424 -0.807 . . . . 73.02 112.953 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.77 -38.02 88.95 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 118.293 0.497 . . . . 74.52 112.062 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -56.13 -44.85 79.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.772 0.829 . . . . 54.54 111.713 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.0 10.21 36.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.435 0.694 . . . . 75.04 112.068 -175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 55.42 22.62 5.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.687 1.195 . . . . 75.14 113.456 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.94 178.27 7.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.079 0.952 . . . . 42.31 109.879 172.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -110.62 161.26 15.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.834 0.454 . . . . 75.55 110.027 172.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.22 -35.18 64.64 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 74.52 112.498 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -62.89 -50.03 72.49 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.192 0.597 . . . . 72.44 111.458 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.3 -48.48 81.57 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.654 0.781 . . . . 71.11 111.861 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.46 -49.9 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.179 0.992 . . . . 70.03 112.265 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.58 -47.81 82.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.695 0.798 . . . . 71.22 111.866 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.5 mt -61.54 -38.75 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.499 -0.773 . . . . 74.13 111.056 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.473 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 83.9 t90 -58.12 -56.38 22.73 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.663 0.385 . . . . 74.11 110.569 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -51.67 -39.79 58.88 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.685 0.794 . . . . 61.12 112.623 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -63.19 -49.43 74.29 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.201 0.6 . . . . 73.43 111.502 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -64.36 -41.58 96.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.208 0.603 . . . . 71.13 111.969 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 17.5 mmm180 -62.35 -40.61 96.95 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 119.456 -0.307 . . . . 75.0 111.588 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 69.8 mtp85 . . . . . 0 N--CA 1.483 1.224 0 O-C-N 123.484 0.49 . . . . 65.11 111.117 172.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 119.69 -0.195 . . . . 64.53 110.73 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -56.46 -43.73 79.83 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.513 0.725 . . . . 75.22 111.408 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -67.77 -35.65 79.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.648 0.779 . . . . 65.23 111.338 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.63 -43.03 95.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.42 1.088 . . . . 54.12 111.7 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 19' ' ' LEU . 91.2 t -58.67 -38.64 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.005 0.922 . . . . 63.24 111.447 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 70.8 mt -55.19 -48.5 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.323 0.649 . . . . 73.53 111.324 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.384 0.674 . . . . 72.41 112.725 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD23 HD21 ' A' ' 37' ' ' LEU . 56.6 mt -57.11 -43.41 82.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.211 0.604 . . . . 73.31 110.969 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -67.92 -39.67 83.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.85 0.86 . . . . 73.3 112.245 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 43.1 mtp-105 -64.21 -37.67 88.29 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.828 0.451 . . . . 65.21 111.42 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.4 tptm -71.89 -44.1 64.3 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.059 -0.519 . . . . 71.14 110.36 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.62 -45.16 94.12 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.52 1.128 . . . . 73.05 112.7 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -66.65 -29.32 69.31 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.771 0.828 . . . . 71.23 112.054 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -88.81 -31.17 18.47 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.621 . . . . 65.25 111.602 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -148.32 122.61 9.62 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.055 0.931 . . . . 72.04 110.804 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.3 mmtp -82.72 -19.46 37.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.134 0.974 . . . . 74.12 112.807 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -118.07 132.58 56.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.994 0.918 . . . . 74.11 110.426 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 34' ' ' ARG . 96.1 mt -99.06 130.46 45.39 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.866 0.866 . . . . 71.12 110.139 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.7 m -77.52 167.35 21.79 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.047 -0.723 . . . . 71.23 109.047 168.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -53.0 -48.03 93.4 Favored Pre-proline 0 CA--C 1.57 1.749 0 N-CA-C 112.947 0.721 . . . . 75.34 112.947 -178.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 31.7 Cg_exo -63.23 -43.8 17.31 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 121.599 1.533 . . . . 75.32 113.72 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -60.27 -44.7 95.09 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.986 0.914 . . . . 70.55 113.145 -175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 56.8 ttp180 -68.11 -37.23 80.91 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.815 -1.084 . . . . 75.23 110.86 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.04 90.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.675 0.79 . . . . 53.44 111.567 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.23 -51.08 71.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.4 0.68 . . . . 73.34 110.918 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.0 tp -63.94 -41.42 97.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.513 0.325 . . . . 72.12 111.664 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.34 77.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.572 0.749 . . . . 75.31 112.087 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.25 -35.94 78.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.377 0.51 . . . . 74.52 112.377 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.21 -30.83 71.87 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.277 0.631 . . . . 73.34 112.085 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.77 5.34 28.55 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.405 0.682 . . . . 72.04 112.528 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 60.03 20.43 9.57 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.001 0.921 . . . . 73.04 113.16 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.7 177.53 6.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.64 1.176 . . . . 63.23 110.952 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -102.75 151.68 22.12 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.866 -0.79 . . . . 72.52 108.866 171.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 43.9 mt-10 -56.49 -27.26 56.7 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.088 0.555 . . . . 73.51 112.492 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.0 m -61.24 -59.17 5.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.466 0.706 . . . . 73.43 110.601 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.57 -46.64 77.17 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.988 0.915 . . . . 74.12 112.112 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.11 -45.84 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.826 0.85 . . . . 75.33 112.082 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 3.5 ttpm? -66.49 -40.79 89.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.448 0.299 . . . . 64.14 111.221 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.66 -41.31 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.45 0.7 . . . . 74.42 110.909 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -57.64 -57.32 13.21 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.355 0.662 . . . . 71.41 110.455 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.6 m-85 -52.61 -48.69 66.14 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.707 0.803 . . . . 74.21 111.828 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.93 -43.46 86.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.771 1.228 . . . . 73.34 112.384 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.55 -49.18 72.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.775 0.83 . . . . 75.11 111.644 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -35.43 75.65 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 112.639 0.607 . . . . 71.43 112.639 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' NH1' ' HB3' ' A' ' 27' ' ' LYS . 36.2 mtp85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.015 0.436 . . . . 75.4 110.717 175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 109.338 -0.616 . . . . 72.34 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' ILE . 67.2 t60 -58.51 -42.73 88.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.666 0.387 . . . . 74.43 111.897 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 69.0 m -61.67 -40.36 94.67 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.357 0.663 . . . . 74.13 111.112 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.6 tt0 -64.88 -42.2 95.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.184 0.994 . . . . 73.22 111.478 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' LEU . 58.2 t -62.09 -38.87 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.131 0.572 . . . . 72.54 110.69 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 76.6 mt -58.78 -46.93 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.899 0.48 . . . . 74.14 111.017 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 14' ' ' THR . 18.3 mm-40 -59.79 -43.37 94.46 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.588 0.755 . . . . 74.3 111.573 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 37' ' ' LEU . 30.4 mt -61.33 -38.05 85.51 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.928 0.891 . . . . 71.11 111.369 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.65 -30.82 63.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.654 0.782 . . . . 53.41 112.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 90.4 mtt-85 -61.09 -42.07 97.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.117 0.567 . . . . 70.42 109.607 172.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HD22 ' A' ' 37' ' ' LEU . 10.7 tppt? -68.94 -42.68 76.4 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.283 -0.871 . . . . 71.24 111.411 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.91 -32.86 69.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.672 1.189 . . . . 74.14 111.144 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.3 m -63.02 -35.67 80.99 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.552 0.741 . . . . 72.15 112.382 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -78.31 -47.56 17.51 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 118.256 0.48 . . . . 73.21 111.195 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -156.66 146.13 20.63 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.649 0.738 . . . . 51.3 111.84 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 66.4 mmtt -83.18 -21.02 33.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.255 1.022 . . . . 60.42 113.468 -170.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -140.04 128.21 22.41 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.743 0.817 . . . . 72.31 109.336 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD11 ' HG2' ' A' ' 22' ' ' LYS . 95.6 mt -86.1 157.78 19.96 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.14 0.793 . . . . 72.33 113.14 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.0 m -79.26 161.17 26.5 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.961 -1.018 . . . . 70.34 109.844 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.91 -44.37 96.37 Favored Pre-proline 0 CA--C 1.573 1.834 0 N-CA-C 113.946 1.091 . . . . 53.3 113.946 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.5 -56.15 1.7 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 122.154 1.903 . . . . 74.31 114.19 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.45 -19.71 60.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.581 0.956 . . . . 71.42 113.581 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -74.58 -42.54 58.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.649 0.78 . . . . 74.13 109.735 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.56 74.73 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.354 1.062 . . . . 74.12 111.36 173.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 6.2 t60 -62.14 -49.17 76.95 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.914 1.285 . . . . 63.3 110.734 176.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 22' ' ' LYS . 47.8 tp -71.39 -35.21 70.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.596 0.359 . . . . 73.01 110.994 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -54.42 46.57 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.699 0.799 . . . . 54.12 112.4 178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 63.4 pttt -61.67 -36.45 80.88 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.131 0.573 . . . . 62.44 112.469 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.99 -40.49 95.04 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.455 0.702 . . . . 42.52 111.739 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HB3' HE21 ' A' ' 15' ' ' GLN . 94.0 mt -101.66 8.03 41.82 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.309 0.644 . . . . 74.43 111.907 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 23.27 9.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.681 1.192 . . . . 74.32 113.799 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.25 175.76 8.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.446 1.098 . . . . 75.43 110.768 172.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -110.06 166.8 10.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.565 0.746 . . . . 62.4 109.226 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.02 -19.34 64.27 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.006 0.372 . . . . 72.25 112.006 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.0 m -70.24 -54.28 13.43 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.447 0.699 . . . . 64.13 110.063 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.96 -47.13 87.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.976 0.91 . . . . 65.5 112.329 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.94 -50.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.176 0 C-N-CA 123.566 0.746 . . . . 75.41 110.966 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.64 -46.08 87.9 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.205 0.602 . . . . 75.31 112.517 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.37 -40.13 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.105 0.562 . . . . 61.34 110.836 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -59.95 -54.39 46.65 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.167 0.44 . . . . 72.32 110.946 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 46.7 m-85 -61.02 -32.83 72.42 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.909 0.707 . . . . 73.33 112.909 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.83 -58.39 4.66 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.22 1.008 . . . . 72.41 111.837 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.96 -41.52 99.55 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.295 1.038 . . . . 73.24 112.057 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -53.83 -44.24 70.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.99 0.916 . . . . 63.21 111.838 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 41.3 mtp180 . . . . . 0 CA--C 1.55 0.955 0 O-C-N 123.684 0.615 . . . . 73.01 111.449 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 119.073 -0.489 . . . . 51.4 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -48.33 -51.89 24.09 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.333 1.053 . . . . 65.24 113.569 -172.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.4 m -62.51 -41.25 98.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.685 0.794 . . . . 64.15 111.428 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HG3' HD22 ' A' ' 41' ' ' LEU . 32.5 tt0 -66.23 -40.6 90.39 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.14 0.976 . . . . 71.2 111.635 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.66 -37.75 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.982 0.913 . . . . 75.15 110.947 175.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.35 -40.83 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 122.642 0.377 . . . . 54.02 111.099 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.89 -40.72 91.8 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.857 0.463 . . . . 60.13 111.78 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.72 -44.66 96.34 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.847 0.859 . . . . 73.05 110.92 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -63.84 -37.2 86.51 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.105 0.962 . . . . 74.41 111.751 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.89 -50.58 73.23 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.527 0.731 . . . . 75.31 110.239 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' HD21 ' A' ' 29' ' ' LEU . 52.0 tptt -66.7 -37.14 84.11 Favored 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.377 0.671 . . . . 74.41 111.515 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.89 -40.96 87.91 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.768 1.227 . . . . 72.14 112.525 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -70.32 -25.04 63.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.518 0.727 . . . . 62.24 112.231 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -82.07 -50.65 8.84 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.93 0.395 . . . . 72.13 111.123 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -140.76 133.17 28.39 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.615 0.766 . . . . 63.14 110.769 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 45.3 mmtm -78.46 -19.04 53.96 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.113 0.965 . . . . 53.13 113.421 -173.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.45 123.6 20.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.875 0.87 . . . . 75.04 109.928 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 22' ' ' LYS . 21.6 mt -93.0 135.13 34.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.314 0.487 . . . . 73.52 112.314 -177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -75.03 166.67 23.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.403 -0.591 . . . . 75.22 109.403 167.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.68 -44.99 78.74 Favored Pre-proline 0 CA--C 1.573 1.844 0 N-CA-C 114.683 1.364 . . . . 63.14 114.683 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.64 -43.11 22.7 Favored 'Trans proline' 0 C--N 1.39 2.712 0 C-N-CA 121.885 1.724 . . . . 75.04 113.421 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.18 -38.07 78.5 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.613 0.765 . . . . 65.33 111.4 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -71.73 -43.38 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.048 1.339 . . . . 73.42 110.706 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.23 91.13 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.916 0.886 . . . . 52.13 111.811 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.7 -50.88 70.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.936 0.895 . . . . 71.31 111.051 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 22' ' ' LYS . 26.3 tp -68.65 -35.23 76.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.451 0.301 . . . . 63.44 110.753 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 -59.3 5.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.498 0.719 . . . . 51.43 111.741 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -63.93 -37.37 87.16 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.858 0.688 . . . . 72.33 112.858 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.63 -32.28 73.76 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.455 0.702 . . . . 71.02 111.945 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 15' ' ' GLN . 93.2 mt -99.64 3.01 45.02 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.531 0.732 . . . . 74.31 111.851 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 57.99 20.43 6.78 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.348 1.059 . . . . 75.42 112.938 -177.427 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -88.06 179.97 6.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.976 1.31 . . . . 62.04 109.882 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 p -108.19 161.58 14.85 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.896 0.478 . . . . 74.32 110.285 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.9 -32.88 68.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.072 0.549 . . . . 74.4 112.12 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 m -70.53 -41.52 72.42 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.874 0.47 . . . . 74.01 110.961 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.08 -47.59 83.97 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.22 0.608 . . . . 73.23 112.005 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.11 -39.46 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 C-N-CA 123.776 0.83 . . . . 44.03 111.417 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -58.98 -51.54 69.63 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.207 0.603 . . . . 73.12 111.373 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.83 -37.27 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.025 0.93 . . . . 55.14 111.529 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.98 -55.87 27.83 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.732 0.413 . . . . 73.44 110.437 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 14.2 m-85 -55.39 -44.76 76.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.496 0.719 . . . . 74.11 111.991 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.82 -50.74 69.7 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.596 1.158 . . . . 71.34 112.033 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.59 -43.2 81.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.908 0.883 . . . . 75.31 111.856 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.88 71.12 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 122.809 0.444 . . . . 74.33 111.693 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.606 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 23.8 mmm180 . . . . . 0 N--CA 1.492 1.663 0 CA-C-N 118.595 0.634 . . . . 74.43 111.979 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.3 t . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 119.401 -0.333 . . . . 74.35 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -60.97 -43.06 99.35 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.223 0.609 . . . . 72.22 111.038 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -64.69 -37.47 87.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.583 0.753 . . . . 74.22 110.664 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.2 -38.05 84.68 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.306 1.042 . . . . 74.3 112.023 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 96.1 t -66.35 -36.61 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.817 0.447 . . . . 64.54 110.599 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 89.9 mt -59.08 -45.0 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.824 0.45 . . . . 62.44 110.441 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.53 -48.68 80.06 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.123 0.969 . . . . 75.3 111.817 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 16' ' ' VAL . 37.6 mt -56.49 -40.69 75.36 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.907 0.883 . . . . 65.43 111.541 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 50.0 mt-10 -73.19 -27.81 61.85 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.032 0.933 . . . . 74.23 112.082 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 99.7 mtt180 -64.13 -33.89 76.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.132 0.573 . . . . 70.32 110.493 173.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.77 -38.62 32.75 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.536 0.734 . . . . 72.11 111.104 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 48.8 t80 -63.8 -32.72 74.32 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.87 1.268 . . . . 74.33 111.475 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -57.09 -36.17 70.29 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.5 1.12 . . . . 65.51 112.445 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -82.49 -45.14 15.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.906 0.482 . . . . 73.23 111.478 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.64 135.71 18.87 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.319 0.58 . . . . 71.2 111.487 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -74.08 -18.91 60.76 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.644 0.979 . . . . 74.1 113.644 -174.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -152.1 158.61 43.22 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.297 1.039 . . . . 64.05 109.563 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 19.6 mt -110.77 156.69 20.71 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.384 0.512 . . . . 63.15 112.384 -171.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.5 m -82.37 168.76 17.2 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.886 -0.783 . . . . 54.33 108.886 165.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.62 99.06 Favored Pre-proline 0 CA--C 1.573 1.83 0 N-CA-C 113.99 1.107 . . . . 62.12 113.99 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.02 -50.73 10.56 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 122.411 2.074 . . . . 71.41 113.748 171.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 29' ' ' LEU . 11.1 mm-40 -65.05 -35.24 80.55 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.383 0.673 . . . . 65.13 111.915 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.45 -46.71 69.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.281 1.032 . . . . 75.14 111.044 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.46 89.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.893 0.877 . . . . 41.01 111.782 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -62.38 -44.75 95.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.048 0.939 . . . . 74.35 111.381 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 19' ' ' LEU . 32.5 tp -69.16 -42.17 76.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.82 0.448 . . . . 73.3 110.834 178.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.73 66.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.671 0.788 . . . . 53.12 112.449 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.64 -33.26 75.53 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.24 0.459 . . . . 74.24 112.24 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.58 -44.09 83.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.029 0.532 . . . . 52.24 111.725 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.4 mt -98.21 9.13 43.68 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.081 0.552 . . . . 62.01 112.209 -174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 60.45 24.75 14.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.112 0.965 . . . . 54.12 112.935 179.248 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.96 178.31 5.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.556 1.142 . . . . 62.52 110.773 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -107.58 166.15 10.89 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.07 -0.715 . . . . 73.01 109.07 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.61 -27.63 69.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.771 0.428 . . . . 62.03 111.691 175.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.8 m -63.84 -55.73 20.68 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.336 0.654 . . . . 72.31 110.08 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.52 -46.36 83.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.42 1.088 . . . . 74.32 113.179 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.29 -49.31 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.423 0.689 . . . . 65.21 111.37 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.69 -40.42 87.8 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.291 0.636 . . . . 74.1 111.66 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.02 -51.23 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.682 0.793 . . . . 72.34 111.13 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -60.82 -52.93 62.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.264 -0.398 . . . . 64.05 111.087 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -58.39 -33.54 69.74 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.801 0.667 . . . . 73.32 112.801 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.98 -60.13 2.58 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 122.485 0.314 . . . . 70.34 111.271 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -63.18 -33.02 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.159 0.8 . . . . 74.15 113.159 -177.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.36 -39.85 94.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.149 0.58 . . . . 75.14 112.406 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 73.33 111.205 172.624 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.8 t . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.714 -0.66 . . . . 74.32 109.762 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -48.78 -58.36 4.92 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.973 1.101 . . . . 75.34 113.973 -169.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 32.9 m -61.83 -41.37 97.71 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.879 0.471 . . . . 72.05 110.91 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.1 -45.07 94.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.412 1.085 . . . . 74.21 111.952 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 12' ' ' SER . 95.8 t -58.17 -41.19 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.034 0.934 . . . . 73.11 110.7 174.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.2 mt -62.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.193 0.597 . . . . 41.44 111.217 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.8 mm-40 -62.6 -41.91 99.26 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.449 0.642 . . . . 75.31 110.704 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.88 -36.26 83.8 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 114.778 -1.101 . . . . 61.3 110.983 173.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.99 -33.98 75.67 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.915 0.886 . . . . 64.13 112.886 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 66.8 mtt-85 -57.02 -52.77 63.93 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.558 0.694 . . . . 62.33 109.852 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' HD22 ' A' ' 37' ' ' LEU . 53.3 tptt -64.14 -40.07 95.37 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.249 -1.342 . . . . 64.5 111.324 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.02 -39.36 90.16 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.467 1.107 . . . . 74.54 111.846 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -63.51 -32.66 74.17 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.196 0.999 . . . . 65.03 112.096 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -79.56 -47.26 15.82 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.177 0.513 . . . . 74.21 111.086 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -148.44 136.62 21.11 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.73 0.812 . . . . 73.51 111.482 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -79.9 -45.25 18.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.956 0.902 . . . . 74.44 110.728 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.87 132.18 37.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.183 0.993 . . . . 53.11 110.559 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.23 143.82 34.9 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.862 0.465 . . . . 53.32 111.49 175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -79.34 159.86 26.99 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.257 -0.646 . . . . 72.52 109.257 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.98 -46.63 99.74 Favored Pre-proline 0 CA--C 1.576 1.957 0 N-CA-C 113.62 0.97 . . . . 71.21 113.62 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.84 -46.76 12.62 Favored 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.012 1.808 . . . . 73.14 113.179 174.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.68 -45.38 85.7 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.254 0.622 . . . . 74.11 112.124 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -68.3 -38.05 81.24 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.361 -0.836 . . . . 62.35 111.809 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.8 87.43 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.495 0.718 . . . . 60.31 111.657 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -64.86 -43.28 93.51 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.13 0.572 . . . . 71.13 111.466 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 22' ' ' LYS . 37.3 tp -64.41 -36.7 85.0 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.256 0.622 . . . . 74.44 111.256 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.38 46.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.153 0.981 . . . . 64.42 111.514 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.96 -30.6 71.19 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.435 0.532 . . . . 71.55 112.435 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.01 -29.83 70.96 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 55.13 112.118 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' HG3' ' A' ' 18' ' ' GLU . 87.8 mt -111.52 12.98 21.37 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.967 0.729 . . . . 64.41 112.967 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 59.44 14.43 3.81 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 113.338 0.866 . . . . 55.4 113.338 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.32 177.5 7.8 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.934 0.894 . . . . 53.01 111.068 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -107.14 162.33 13.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.139 0.576 . . . . 53.42 109.529 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.48 -26.67 65.45 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.156 0.583 . . . . 74.15 111.192 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -72.76 -47.36 47.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.108 0.563 . . . . 75.51 110.958 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.64 -44.54 93.47 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.228 0.611 . . . . 74.2 111.466 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.45 -41.89 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 123.206 0.603 . . . . 64.32 111.222 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -44.17 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.242 0.617 . . . . 63.15 111.198 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.99 -48.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.716 0.806 . . . . 61.43 110.612 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.06 -57.95 9.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.55 0.74 . . . . 75.23 110.044 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -59.0 -33.97 71.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.723 0.809 . . . . 74.41 112.895 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.16 -49.26 52.31 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.244 0.475 . . . . 72.53 111.949 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -60.52 -39.43 87.8 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.043 0.537 . . . . 74.12 111.869 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -36.1 79.69 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.095 0.558 . . . . 63.25 112.001 177.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.836 0.351 . . . . 74.4 110.334 174.562 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.2 t . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 119.311 -0.376 . . . . 73.32 110.352 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -52.84 -57.75 9.19 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 123.809 0.844 . . . . 71.22 112.524 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -63.4 -35.66 81.13 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.813 0.845 . . . . 52.41 111.552 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.29 -38.33 87.5 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.414 1.085 . . . . 52.13 111.81 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' SER . 91.5 t -62.89 -43.14 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.269 0.627 . . . . 52.23 110.571 171.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.46 -42.09 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 C-N-CA 123.448 0.699 . . . . 72.32 111.221 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -63.67 -43.43 96.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.668 0.787 . . . . 52.24 111.983 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 37' ' ' LEU . 47.8 mt -63.52 -35.15 79.51 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 123.347 0.659 . . . . 72.03 111.218 173.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.84 -37.65 76.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.929 0.891 . . . . 63.11 111.804 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -60.32 -42.43 95.6 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.543 0.737 . . . . 71.33 111.032 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 51.1 tptt -73.66 -41.35 62.83 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.612 -0.722 . . . . 71.04 111.181 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.91 -38.75 92.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.655 0.782 . . . . 73.42 111.852 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -60.21 -24.97 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.62 0.768 . . . . 72.25 112.167 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -91.1 -40.25 11.71 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.014 0.526 . . . . 74.1 111.431 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.24 135.84 19.45 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.993 0.738 . . . . 72.14 112.993 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.77 -41.15 62.83 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.249 1.02 . . . . 51.11 111.668 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -113.82 138.39 50.34 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.231 1.012 . . . . 71.22 109.56 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.14 146.31 26.27 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.986 0.514 . . . . 73.11 111.718 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -71.66 161.51 30.88 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.486 -0.561 . . . . 52.13 109.486 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -45.06 99.54 Favored Pre-proline 0 CA--C 1.565 1.54 0 CA-C-O 118.495 -0.764 . . . . 74.34 112.918 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.52 -50.69 6.36 Favored 'Trans proline' 0 C--N 1.391 2.802 0 C-N-CA 121.519 1.479 . . . . 43.13 113.016 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.16 -33.72 76.44 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.428 0.899 . . . . 73.32 113.428 -172.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -74.49 -42.11 59.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.904 0.482 . . . . 71.04 110.888 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.27 89.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.78 0.832 . . . . 71.44 111.816 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.88 -48.53 65.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.489 0.716 . . . . 74.14 110.808 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 54.6 tp -62.45 -36.16 81.55 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.071 0.548 . . . . 75.43 110.962 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.59 72.38 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.54 -0.754 . . . . 74.3 111.341 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.21 -27.2 61.48 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.806 0.669 . . . . 74.44 112.806 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.77 -35.01 78.45 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.369 0.668 . . . . 54.24 111.157 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.7 mt -110.52 5.89 21.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.822 0.849 . . . . 73.02 112.258 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 56.81 25.78 10.74 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.243 1.017 . . . . 65.43 112.857 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.59 176.5 6.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.952 1.301 . . . . 73.51 111.167 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -101.4 147.74 25.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.173 0.589 . . . . 71.14 109.509 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.94 -29.29 59.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.649 0.78 . . . . 70.24 112.347 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 -56.1 18.71 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.547 0.739 . . . . 72.5 110.788 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.83 -39.07 90.52 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.579 0.585 . . . . 61.41 112.579 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.13 -44.92 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.103 0.561 . . . . 52.45 110.783 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -62.43 -39.81 94.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.787 0.835 . . . . 60.3 111.923 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 85.8 mt -68.15 -42.01 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.854 0.862 . . . . 73.23 111.354 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -59.59 -54.65 44.01 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.461 -0.57 . . . . 74.02 109.461 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 12.7 m-85 -56.76 -32.15 65.31 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.786 0.835 . . . . 74.32 112.218 174.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 42.3 tt0 -60.25 -54.67 43.06 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.579 0.752 . . . . 51.11 111.752 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -62.45 -40.02 95.25 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.003 -0.544 . . . . 71.14 112.072 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -28.97 66.19 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 112.597 0.592 . . . . 45.02 112.597 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 46.1 mtm105 . . . . . 0 N--CA 1.491 1.586 0 CA-C-N 118.283 0.492 . . . . 71.24 110.308 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 111.373 0.138 . . . . 73.11 111.373 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.91 -155.23 26.49 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.474 -0.33 . . . . 73.43 113.334 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -84.66 109.1 17.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.607 0.763 . . . . 70.4 110.043 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -57.82 -33.94 69.13 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.626 0.77 . . . . 75.43 112.62 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -149.56 123.12 9.14 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.842 0.857 . . . . 71.43 110.363 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -149.18 125.62 10.92 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.776 0.43 . . . . 75.23 112.004 -174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -169.42 174.58 5.92 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.473 1.109 . . . . 72.11 109.853 171.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -72.11 104.1 3.5 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 109.21 -0.663 . . . . 75.41 109.21 171.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 123.65 19.57 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.166 0.586 . . . . 61.44 112.174 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -76.12 68.24 2.53 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.952 0.882 . . . . 65.41 109.842 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.1 mtm -67.95 158.06 33.62 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.863 -1.062 . . . . 72.04 112.059 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -78.63 149.9 32.81 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.002 -0.544 . . . . 60.02 109.988 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -57.96 -44.08 86.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.439 0.695 . . . . 74.13 111.789 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.3 m -68.28 -34.51 76.3 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.527 0.731 . . . . 70.3 111.622 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -66.66 -38.5 86.97 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.934 0.894 . . . . 65.45 111.35 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.59 ' HA ' HD12 ' A' ' 19' ' ' LEU . 93.6 t -66.66 -33.5 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.168 0.587 . . . . 71.12 110.971 175.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.27 -42.89 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 122.428 0.291 . . . . 64.52 110.73 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.53 -40.82 96.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.533 0.733 . . . . 63.35 112.073 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 16' ' ' VAL . 67.9 mt -59.04 -41.87 88.86 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 115.657 -0.701 . . . . 63.5 110.762 172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -74.29 -28.26 61.1 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.984 0.914 . . . . 71.13 112.521 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -68.2 -38.37 81.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.238 0.615 . . . . 74.33 110.556 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.551 ' HG2' HD22 ' A' ' 37' ' ' LEU . 17.9 tptp -69.73 -42.28 74.18 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.794 -0.639 . . . . 73.43 110.27 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.6 -44.21 94.68 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.85 1.26 . . . . 75.42 111.761 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.4 t -56.03 -41.04 74.36 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.027 0.931 . . . . 54.14 112.195 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -79.76 -44.73 20.15 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.396 0.678 . . . . 75.14 111.599 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.428 HE22 ' HG2' ' A' ' 33' ' ' GLU . 20.9 pt20 -142.28 128.17 19.45 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.568 0.699 . . . . 75.32 110.409 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -79.85 -26.72 40.27 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.638 0.775 . . . . 60.41 112.387 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -116.7 127.0 53.99 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.676 0.79 . . . . 64.32 110.129 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.26 133.48 45.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.75 0.42 . . . . 60.15 110.189 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.3 m -84.43 176.85 8.4 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.674 -0.861 . . . . 71.04 108.674 165.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.16 -46.11 82.57 Favored Pre-proline 0 CA--C 1.577 1.981 0 N-CA-C 114.274 1.213 . . . . 74.02 114.274 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.81 -52.72 4.74 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.18 1.92 . . . . 54.15 114.343 174.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HG2' HE22 ' A' ' 26' ' ' GLN . 1.8 mp0 -65.1 -34.68 78.99 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 123.177 0.591 . . . . 61.33 111.784 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 57.6 ttp180 -72.2 -44.65 62.66 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.536 1.134 . . . . 74.31 111.375 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.68 -38.35 77.01 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.799 0.84 . . . . 72.1 111.748 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 81.1 t60 -62.63 -50.2 72.19 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.864 0.866 . . . . 74.3 111.386 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.8 tp -66.2 -35.94 81.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.776 0.431 . . . . 70.3 110.682 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.47 2.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.439 0.696 . . . . 43.35 111.434 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 64.5 pttt -62.95 -33.82 76.19 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.167 0.587 . . . . 72.44 112.575 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -62.5 -36.96 84.18 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.274 0.63 . . . . 64.34 112.098 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.48 5.11 41.79 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.113 0.565 . . . . 53.55 111.45 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp 62.36 12.94 5.63 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 125.27 1.428 . . . . 54.45 113.632 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.13 177.53 7.76 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.397 1.079 . . . . 60.14 111.339 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.1 p -105.23 156.23 18.32 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.147 0.579 . . . . 70.02 109.707 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.14 -37.85 62.18 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.17 0.588 . . . . 74.11 111.575 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.2 m -57.34 -57.6 11.91 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.497 0.719 . . . . 72.31 111.686 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -56.43 -45.39 80.79 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.846 0.858 . . . . 64.44 112.483 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.17 -40.28 88.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 CA-C-N 115.528 -0.76 . . . . 71.13 111.055 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 27.7 ttpp -68.57 -37.74 80.15 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.579 0.752 . . . . 73.42 111.236 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 87.7 mt -62.83 -44.66 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.753 0.821 . . . . 75.43 109.79 174.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 77.6 t90 -61.31 -57.94 10.27 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.964 0.506 . . . . 74.35 110.948 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -58.63 -33.21 69.79 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.249 0.62 . . . . 61.54 112.534 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.08 -55.35 35.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.942 0.497 . . . . 72.24 110.662 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.09 -44.73 96.92 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 115.286 -0.87 . . . . 73.42 112.186 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 15.3 mmm-85 -65.13 -33.39 75.9 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.054 0.542 . . . . 73.31 112.408 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 -79.13 -23.05 44.28 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 122.703 0.401 . . . . 63.14 110.812 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -83.38 -26.06 30.8 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.942 0.897 . . . . 75.34 111.26 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.698 ' HA ' ' H ' ' A' ' 69' ' ' GLY . 99.4 mttt -90.75 -19.24 23.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.287 1.035 . . . . 70.11 112.845 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -83.95 150.13 25.86 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.486 0.184 . . . . 71.03 110.738 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HG2' ' OG ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -62.73 96.98 0.09 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.857 0.863 . . . . 65.3 110.324 -177.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -96.68 151.25 19.81 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.763 0.425 . . . . 64.51 111.428 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -79.88 96.7 6.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.3 0.64 . . . . 72.14 110.861 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -126.47 -155.18 0.67 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.107 0.963 . . . . 62.11 109.416 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -66.27 -29.57 69.83 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 122.891 0.476 . . . . 73.52 110.558 163.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -148.45 160.48 43.01 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.165 0.986 . . . . 74.22 110.535 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.454 ' OG ' ' HG2' ' A' ' 60' ' ' LYS . 34.8 t -66.02 111.96 3.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.453 0.701 . . . . 71.25 111.87 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -75.51 93.3 2.97 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.269 0.557 . . . . 71.55 111.197 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.96 90.98 3.47 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.339 0.656 . . . . 74.12 110.135 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.698 ' H ' ' HA ' ' A' ' 58' ' ' LYS . . . . . . . . 0 C--N 1.352 1.444 0 N-CA-C 114.56 0.584 . . . . 61.35 114.56 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.535 0.207 . . . . 54.51 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.65 72.66 1.49 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 111.552 -0.619 . . . . 45.31 111.552 168.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -92.62 139.82 30.17 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.705 0.802 . . . . 74.22 112.223 -171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -164.35 131.69 3.25 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.84 0.456 . . . . 71.01 109.868 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -77.77 117.54 19.26 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.729 0.812 . . . . 55.11 109.82 172.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' HB2' HD21 ' A' ' 54' ' ' ASN . 29.6 m80 -97.06 152.74 18.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.533 0.733 . . . . 73.43 110.959 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -84.19 157.88 21.49 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 114.987 -1.006 . . . . 71.41 111.086 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -163.54 168.23 20.34 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.009 0.924 . . . . 74.32 110.541 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 m -62.28 145.38 53.89 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.601 0.36 . . . . 63.53 111.278 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -68.48 98.49 0.86 Allowed 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.004 0.521 . . . . 74.2 111.12 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -65.79 150.8 47.95 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 112.34 0.496 . . . . 72.53 112.34 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.0 m -82.19 167.52 18.61 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.966 0.907 . . . . 60.13 111.0 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -54.85 -57.04 13.2 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.643 0.777 . . . . 72.43 111.44 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.501 ' HA ' HD12 ' A' ' 17' ' ' ILE . 22.3 m -64.09 -33.86 76.73 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 124.084 0.954 . . . . 64.22 111.865 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 41' ' ' LEU . 59.5 tt0 -65.31 -47.26 77.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.966 0.907 . . . . 70.34 111.969 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.09 -37.41 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.322 0.649 . . . . 71.51 111.192 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 14' ' ' THR . 84.8 mt -56.85 -50.55 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.448 0.699 . . . . 74.21 111.475 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 14' ' ' THR . 8.1 mm-40 -61.66 -41.48 97.58 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.58 0.752 . . . . 72.23 111.891 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 37' ' ' LEU . 70.1 mt -62.1 -40.64 96.55 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 115.047 -0.978 . . . . 73.23 111.359 173.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.17 -29.23 61.68 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.577 0.751 . . . . 73.55 112.595 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 74.0 mtp180 -62.45 -48.03 81.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.506 0.723 . . . . 71.32 110.631 172.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.2 tptt -69.73 -37.51 76.52 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.803 -1.09 . . . . 53.41 111.154 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 70.4 t80 -70.82 -36.83 73.12 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.021 0.928 . . . . 70.5 112.483 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -63.44 -38.39 90.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.528 0.731 . . . . 51.34 111.21 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.51 -36.89 57.5 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 115.43 -0.805 . . . . 73.21 111.048 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.34 132.68 11.92 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-O 121.638 0.732 . . . . 54.5 111.726 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -75.97 -33.6 59.78 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.054 0.941 . . . . 63.22 111.286 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.46 124.42 52.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.314 1.046 . . . . 72.45 110.151 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.13 152.06 21.3 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.045 0.45 . . . . 72.11 111.299 172.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -88.8 162.19 16.33 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.209 -0.663 . . . . 72.23 109.209 164.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.93 -47.81 95.79 Favored Pre-proline 0 CA--C 1.575 1.941 0 N-CA-C 113.887 1.069 . . . . 72.12 113.887 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -60.41 -40.23 59.63 Favored 'Trans proline' 0 C--N 1.389 2.695 0 C-N-CA 122.083 1.856 . . . . 72.0 113.517 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.04 -37.58 75.62 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.52 0.728 . . . . 63.51 112.057 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 57.7 ttp180 -69.54 -39.54 77.42 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.751 0.82 . . . . 64.04 110.753 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.95 82.01 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.844 0.858 . . . . 75.53 111.978 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.57 -47.48 85.39 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.784 0.834 . . . . 52.23 111.635 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 22' ' ' LYS . 46.5 tp -68.02 -40.24 82.98 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.545 0.738 . . . . 74.32 110.976 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.41 68.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.51 0.724 . . . . 71.01 112.641 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -37.72 88.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.99 0.516 . . . . 64.34 112.3 -176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.6 -36.17 79.95 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.297 0.639 . . . . 62.3 111.745 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HB3' HE21 ' A' ' 15' ' ' GLN . 92.7 mt -103.57 6.88 37.56 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.832 0.853 . . . . 72.34 112.616 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 58.6 22.64 10.02 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.761 1.225 . . . . 73.31 113.243 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.2 mt -87.58 177.84 6.95 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.133 0.973 . . . . 65.44 110.385 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.2 p -106.54 160.43 15.43 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.094 -0.706 . . . . 72.51 109.094 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.36 -23.68 62.75 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.99 0.516 . . . . 73.24 111.634 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.1 m -63.87 -60.58 3.1 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.548 0.739 . . . . 63.42 110.422 171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -61.45 -39.99 92.87 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.109 0.964 . . . . 73.41 112.295 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.37 -47.14 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.461 0.704 . . . . 74.44 111.177 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 7.4 ttpm? -65.22 -35.2 80.31 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 111.798 0.295 . . . . 70.13 111.798 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.22 -51.97 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 123.436 0.694 . . . . 61.34 109.87 174.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -55.41 -53.96 49.66 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.873 0.869 . . . . 72.5 110.432 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.83 -40.53 84.47 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.991 0.916 . . . . 74.41 112.759 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.11 -46.72 85.98 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.437 0.695 . . . . 74.31 111.719 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 57' ' ' TYR . 47.1 m-80 -79.28 -22.82 44.13 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.508 0.558 . . . . 75.03 112.508 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -68.63 -33.29 73.77 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.272 0.229 . . . . 73.2 111.253 168.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp-105 -67.39 -41.59 84.71 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.307 0.575 . . . . 75.31 109.873 170.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' HB3' ' HA ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -66.52 -18.68 65.5 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 124.489 1.115 . . . . 71.44 111.892 171.203 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -91.32 -30.71 16.42 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 114.173 1.175 . . . . 73.31 114.173 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' ARG . 16.8 p -64.86 149.05 50.2 Favored 'General case' 0 N--CA 1.508 2.437 0 N-CA-C 114.525 1.306 . . . . 74.41 114.525 -170.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -63.68 -43.7 95.9 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.946 0.898 . . . . 71.11 111.41 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -74.56 110.69 9.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.285 -0.635 . . . . 72.54 109.285 171.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 27.2 ttmt -170.79 137.16 1.24 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 119.217 -0.421 . . . . 74.53 111.108 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HG3' ' H ' ' A' ' 64' ' ' LEU . 24.4 pt20 39.39 -77.08 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 126.746 2.018 . . . . 73.24 115.927 173.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' H ' ' HG3' ' A' ' 63' ' ' GLN . 57.2 tp -160.19 -42.03 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.735 1.214 . . . . 74.54 108.764 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.3 p -161.8 153.97 19.53 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.044 0.938 . . . . 74.33 110.887 172.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.7 p -176.9 -56.33 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 124.182 0.993 . . . . 61.22 110.522 174.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -84.28 101.78 12.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.381 0.672 . . . . 74.53 110.191 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.64 119.54 19.82 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.592 0.757 . . . . 70.21 111.156 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.287 0 CA-C-O 121.372 0.429 . . . . 71.44 113.365 177.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.377 -0.231 . . . . 74.04 110.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.22 124.92 2.54 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 116.647 -0.251 . . . . 72.2 113.481 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -70.48 94.03 0.94 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.395 0.678 . . . . 71.41 111.202 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -84.96 115.1 22.61 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 109.381 -0.6 . . . . 74.44 109.381 174.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -85.56 170.35 12.68 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.664 0.786 . . . . 64.32 112.806 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -141.9 103.25 4.3 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.645 1.178 . . . . 75.02 108.464 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -58.66 120.16 8.41 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-O 121.491 0.662 . . . . 65.1 111.806 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -146.36 104.78 3.82 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.318 1.047 . . . . 72.4 108.806 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.7 p -71.8 124.99 26.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.642 0.377 . . . . 74.35 111.345 -176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -76.81 149.99 36.17 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.979 0.512 . . . . 70.52 110.622 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.431 ' HG2' HD11 ' A' ' 19' ' ' LEU . 2.0 mpt? -63.27 162.77 11.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.399 0.518 . . . . 74.11 112.399 176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -72.34 166.26 22.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.813 0.845 . . . . 62.52 110.232 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -57.61 -61.33 2.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.414 0.686 . . . . 73.51 112.438 -173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.442 ' HA ' HD12 ' A' ' 17' ' ' ILE . 87.7 m -66.36 -30.58 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.384 0.674 . . . . 74.21 111.861 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG3' HD22 ' A' ' 41' ' ' LEU . 62.7 tt0 -62.03 -43.33 99.08 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.298 0.639 . . . . 64.13 111.481 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 19' ' ' LEU . 79.3 t -64.85 -38.89 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.617 0.767 . . . . 71.2 111.192 173.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.4 mt -55.69 -45.74 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 122.745 0.418 . . . . 72.4 110.593 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.39 -44.82 95.55 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.711 0.804 . . . . 71.53 111.762 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 HD21 ' A' ' 37' ' ' LEU . 48.9 mt -58.22 -40.3 81.27 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.561 0.744 . . . . 71.01 111.436 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.03 -35.22 76.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.099 0.96 . . . . 72.32 111.569 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 56.8 mtp180 -63.83 -34.04 77.02 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.26 0.624 . . . . 63.34 111.38 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG2' HD22 ' A' ' 37' ' ' LEU . 52.5 tptt -80.82 -41.96 22.44 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.764 0.426 . . . . 72.03 110.82 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -64.01 -41.17 97.56 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.215 1.006 . . . . 74.42 112.049 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.7 p -63.67 -30.88 71.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.553 0.741 . . . . 73.51 112.356 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.26 -38.3 22.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.734 0.414 . . . . 61.4 111.262 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -150.72 132.18 14.71 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.256 0.622 . . . . 61.2 111.312 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -83.06 -25.3 32.22 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.374 0.67 . . . . 72.44 111.21 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -118.55 121.64 40.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.353 1.061 . . . . 64.44 109.948 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 34' ' ' ARG . 97.1 mt -96.49 141.25 30.0 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.241 0.616 . . . . 61.14 111.202 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -87.41 174.74 8.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.323 0.649 . . . . 74.52 109.697 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.99 98.37 Favored Pre-proline 0 CA--C 1.574 1.867 0 N-CA-C 114.317 1.228 . . . . 73.32 114.317 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -61.75 -46.47 13.76 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.902 1.735 . . . . 74.3 113.637 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.23 -40.72 86.38 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.897 0.879 . . . . 73.14 112.414 -173.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 49' ' ' LYS . 48.5 ttp180 -69.18 -41.57 77.0 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.886 0.874 . . . . 64.51 111.447 -177.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.17 74.73 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.419 0.687 . . . . 51.25 111.85 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -61.29 -44.62 96.92 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.74 0.816 . . . . 64.25 110.438 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD22 ' HG2' ' A' ' 22' ' ' LYS . 29.2 tp -71.62 -36.02 70.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.156 0.582 . . . . 71.31 111.188 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.3 -51.47 69.83 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.465 0.706 . . . . 60.12 112.013 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -69.57 -34.91 74.83 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.44 0.533 . . . . 74.35 112.44 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.05 -37.07 85.75 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.203 0.601 . . . . 73.32 111.631 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 15' ' ' GLN . 95.6 mt -104.57 2.62 30.96 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.185 0.809 . . . . 71.34 113.185 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt 61.69 17.83 9.04 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.904 0.882 . . . . 74.13 113.082 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.88 179.93 7.63 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.252 1.021 . . . . 74.22 110.476 173.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -102.96 158.33 16.36 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 109.129 -0.693 . . . . 73.32 109.129 168.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.32 -33.6 63.46 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.16 0.584 . . . . 72.42 112.033 173.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -60.8 -50.99 71.23 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.764 0.825 . . . . 74.43 111.652 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -59.9 -48.52 81.38 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.478 0.711 . . . . 72.33 112.016 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.6 -46.52 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 C-N-CA 123.741 0.816 . . . . 75.25 111.785 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HB2' ' HD2' ' A' ' 34' ' ' ARG . 86.3 tttt -58.49 -50.59 73.18 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.92 0.888 . . . . 74.23 112.36 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.92 -35.53 75.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 C-N-CA 124.101 0.96 . . . . 75.23 111.475 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -60.25 -53.66 54.99 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.637 0.375 . . . . 75.32 110.329 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.75 -42.25 78.99 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.769 0.828 . . . . 73.43 112.335 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.35 -44.79 90.36 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.77 0.828 . . . . 64.43 111.863 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.71 -33.64 68.92 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.467 0.707 . . . . 73.51 111.567 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -38.07 89.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.693 0.397 . . . . 64.51 111.153 172.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -62.19 -37.86 86.92 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.038 0.535 . . . . 73.23 110.601 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -68.31 -30.33 69.29 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.898 0.879 . . . . 63.3 111.94 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -85.22 -27.75 25.88 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.152 0.581 . . . . 62.44 112.398 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.2 p -76.79 95.84 4.13 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.251 0.548 . . . . 63.31 110.881 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -77.08 96.58 4.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.204 -0.907 . . . . 65.0 109.322 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -67.61 107.21 2.44 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 122.989 0.515 . . . . 74.43 111.354 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HB3' ' HB3' ' A' ' 65' ' ' SER . 59.3 tttm -74.15 133.87 42.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.828 0.851 . . . . 72.43 109.131 174.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.23 -28.13 7.11 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.291 1.589 . . . . 55.43 115.291 -166.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -141.83 76.97 1.56 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.083 -1.08 . . . . 72.11 108.083 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 62' ' ' LYS . 33.2 t -160.77 172.47 16.99 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.562 0.745 . . . . 64.15 110.229 177.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 t -57.15 145.33 31.6 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.976 0.911 . . . . 70.54 113.151 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 70.34 16.67 7.16 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 125.087 1.355 . . . . 74.15 112.887 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.91 -45.99 69.47 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.267 0.627 . . . . 53.51 109.917 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.893 0 CA-C-O 121.191 0.328 . . . . 42.12 112.586 177.159 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.621 0.248 . . . . 53.14 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.12 112.7 2.15 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 114.022 0.369 . . . . 63.03 114.022 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -101.55 164.47 11.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.692 0.797 . . . . 73.43 110.696 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -74.41 127.55 33.31 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.337 0.655 . . . . 51.04 110.191 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -73.09 108.48 6.0 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.146 0.578 . . . . 53.4 111.311 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -82.44 161.77 22.33 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.613 0.765 . . . . 73.34 111.571 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -69.54 79.47 0.41 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.706 0.802 . . . . 72.11 112.365 -174.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -152.96 137.81 17.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.071 1.348 . . . . 51.04 109.753 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 p -83.55 85.22 7.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.13 0.572 . . . . 61.11 110.133 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -124.86 150.12 46.79 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.143 0.577 . . . . 73.12 111.136 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.505 ' HG2' HD11 ' A' ' 19' ' ' LEU . 1.8 mpt? -68.34 165.41 18.72 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 122.966 0.506 . . . . 63.12 111.564 170.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 46.7 t -76.48 160.34 29.59 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 118.746 -0.645 . . . . 63.5 109.336 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -50.97 -58.47 5.95 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.059 0.763 . . . . 72.43 113.059 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 96.4 m -63.39 -33.71 76.15 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.113 0.565 . . . . 73.43 111.485 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.538 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.5 tt0 -67.53 -41.25 84.68 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.321 1.048 . . . . 71.22 112.037 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 11' ' ' MET . 61.7 t -60.29 -44.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.299 0.64 . . . . 70.23 109.814 172.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.5 mt -59.89 -39.31 79.68 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 C-N-CA 123.596 0.758 . . . . 73.42 111.342 176.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' THR . 22.9 mm-40 -62.63 -45.57 92.23 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.456 0.702 . . . . 74.11 111.228 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 11' ' ' MET . 64.5 mt -59.18 -38.19 79.22 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.619 0.768 . . . . 62.15 111.168 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.78 -30.36 67.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.907 0.883 . . . . 72.34 111.778 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.4 mtp180 -67.26 -34.74 78.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.002 0.521 . . . . 65.22 111.046 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -75.89 -42.59 48.67 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.18 0.514 . . . . 65.32 110.66 173.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 55' ' ' ARG . 87.6 t80 -61.42 -37.2 82.63 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.99 1.316 . . . . 72.23 111.922 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HA ' ' OG ' ' A' ' 66' ' ' SER . 89.2 p -63.9 -44.11 93.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.586 0.755 . . . . 60.2 112.508 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 111.576 0.213 . . . . 73.52 111.576 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -149.9 133.0 16.27 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.438 0.637 . . . . 70.32 111.154 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -79.58 -37.11 37.07 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.739 0.816 . . . . 74.51 111.385 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -108.87 123.73 49.52 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.263 1.025 . . . . 72.13 109.293 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -92.87 148.31 22.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 75.34 111.025 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -89.5 174.73 7.62 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.602 -0.888 . . . . 60.1 108.602 164.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.76 -48.17 94.33 Favored Pre-proline 0 CA--C 1.567 1.617 0 N-CA-C 113.199 0.815 . . . . 60.12 113.199 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.91 -44.46 24.99 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.493 1.462 . . . . 25.2 113.991 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.5 2.044 0 CA-C-N 118.895 0.771 . . . . 72.3 112.311 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -67.26 -42.12 84.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.315 0.646 . . . . 64.11 111.774 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.72 77.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.343 0.657 . . . . 73.54 112.17 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -57.97 -50.56 72.95 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.86 0.464 . . . . 75.04 111.331 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.1 tp -59.38 -40.91 88.06 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.804 0.842 . . . . 74.11 111.722 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.47 12.73 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.602 0.761 . . . . 74.22 111.859 176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.18 -31.49 71.07 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 113.268 0.84 . . . . 75.02 113.268 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.17 -34.06 75.71 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.074 0.549 . . . . 73.45 111.934 173.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HE21 ' A' ' 15' ' ' GLN . 86.4 mt -107.62 3.8 25.21 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.597 0.759 . . . . 64.01 112.618 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 59.22 26.73 15.58 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 124.733 1.213 . . . . 64.41 113.585 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -87.61 178.59 6.73 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.526 1.13 . . . . 62.13 110.688 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -107.2 155.65 19.68 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.092 -0.706 . . . . 65.4 109.092 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.76 -26.4 65.66 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.558 0.577 . . . . 63.42 112.558 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -66.35 -49.43 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.944 0.498 . . . . 71.31 110.587 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -62.61 -43.2 99.39 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.461 0.704 . . . . 63.03 111.606 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.71 -37.29 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.439 0.696 . . . . 63.24 111.496 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -64.5 -50.0 69.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.399 0.68 . . . . 72.34 111.37 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.15 -38.59 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.869 0.867 . . . . 74.13 111.066 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.466 ' CE2' ' HD3' ' A' ' 55' ' ' ARG . 62.7 t90 -60.63 -58.84 6.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.289 0.636 . . . . 64.02 110.225 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.8 -32.62 65.88 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.105 0.78 . . . . 74.43 113.105 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.58 -51.77 57.2 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 122.838 0.455 . . . . 51.51 111.153 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.74 -43.38 94.27 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.634 0.774 . . . . 71.52 111.442 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' CE2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -58.52 -50.08 75.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.831 0.853 . . . . 72.5 112.614 179.105 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -67.3 -28.55 68.1 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.693 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -68.77 -34.53 75.72 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.051 0.94 . . . . 72.52 111.048 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -90.45 -16.32 29.21 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.774 0.83 . . . . 72.05 112.586 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.6 p -90.38 90.73 8.17 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.455 0.645 . . . . 62.31 110.769 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 148.97 23.06 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.329 -0.851 . . . . 61.11 108.945 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -64.73 160.28 20.38 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.756 1.021 . . . . 61.11 113.756 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 63.98 29.81 14.28 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.857 1.263 . . . . 75.32 112.42 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -116.16 175.09 5.7 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.835 0.854 . . . . 74.01 111.144 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.93 19.98 1.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.629 0.771 . . . . 65.34 113.0 -174.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -89.21 170.58 10.47 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.016 0.526 . . . . 75.14 110.584 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 24' ' ' SER . 83.2 p -84.28 41.82 0.85 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.472 1.109 . . . . 74.14 112.784 -173.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.78 166.59 4.26 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.127 0.971 . . . . 74.42 113.06 -175.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.69 -52.98 0.35 Allowed 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.788 0.435 . . . . 74.34 110.17 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 CA-C-O 121.597 0.554 . . . . 25.14 113.152 178.433 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 110.396 -0.224 . . . . 71.31 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.88 93.01 0.73 Allowed Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.473 -0.33 . . . . 24.24 113.376 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -110.08 20.43 17.92 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.446 0.698 . . . . 72.13 112.024 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -68.28 130.47 42.99 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.564 0.345 . . . . 75.23 111.536 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -149.31 115.68 5.82 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.653 0.781 . . . . 71.42 110.832 175.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -81.88 131.62 35.26 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.413 0.685 . . . . 71.55 110.679 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -65.65 119.77 11.75 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.121 0.568 . . . . 61.22 111.581 -173.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -83.2 121.52 27.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.576 0.75 . . . . 74.31 109.386 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 t -147.05 143.04 28.07 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.9 0.381 . . . . 74.22 111.866 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -122.54 97.91 5.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.773 0.829 . . . . 72.11 109.661 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.1 mpt? -59.57 143.38 50.45 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.375 1.07 . . . . 64.51 112.962 -174.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t -76.74 159.21 30.35 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.8 0.84 . . . . 74.21 111.065 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.42 -57.08 13.37 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 123.992 0.917 . . . . 74.41 112.524 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -63.72 -34.52 78.05 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.738 0.815 . . . . 55.33 111.815 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.44 -43.48 90.27 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.137 0.975 . . . . 65.55 111.83 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.57 -37.17 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.649 0.78 . . . . 61.21 110.593 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.6 mt -54.74 -46.92 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 122.979 0.511 . . . . 74.4 111.137 174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -64.98 -42.68 94.33 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.397 0.679 . . . . 53.13 112.342 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.24 -36.93 85.3 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 123.817 0.847 . . . . 74.34 111.221 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.48 -41.9 88.28 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.66 1.184 . . . . 72.42 111.406 176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 82.5 mtp180 -56.53 -47.26 79.75 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.66 0.784 . . . . 71.24 111.017 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 57.6 tptt -66.58 -41.82 87.95 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 115.455 -0.793 . . . . 75.5 111.362 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.88 -36.77 84.34 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.758 0.823 . . . . 73.43 111.93 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -65.86 -34.06 77.27 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.745 0.818 . . . . 71.53 112.837 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -82.92 -32.75 27.07 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.003 0.365 . . . . 72.55 111.423 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -157.63 134.21 9.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.099 0.559 . . . . 73.54 111.306 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -77.25 -47.26 20.6 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.959 0.504 . . . . 44.44 110.961 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -97.96 135.81 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.033 0.933 . . . . 73.44 110.529 -177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.34 154.87 17.85 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.168 0.509 . . . . 71.24 111.609 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.9 m -89.34 164.9 14.7 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.846 -0.798 . . . . 62.53 108.846 165.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.63 98.32 Favored Pre-proline 0 CA--C 1.572 1.817 0 N-CA-C 113.026 0.75 . . . . 73.14 113.026 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.83 -41.79 43.09 Favored 'Trans proline' 0 C--N 1.391 2.809 0 C-N-CA 122.032 1.822 . . . . 73.42 113.409 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.09 -42.11 97.04 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.357 0.663 . . . . 70.12 112.087 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -67.98 -40.94 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.384 0.674 . . . . 73.51 111.79 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.93 97.41 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.249 0.619 . . . . 63.21 111.73 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.75 -47.72 79.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.711 0.804 . . . . 70.24 111.517 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 41.9 tp -64.61 -37.94 89.3 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.641 0.776 . . . . 64.31 110.874 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.75 -55.62 28.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.973 0.909 . . . . 65.35 112.029 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -63.26 -39.49 94.74 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 112.631 0.604 . . . . 74.14 112.631 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.36 -38.29 90.59 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.383 0.673 . . . . 74.1 112.058 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.99 1.45 56.26 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.342 0.657 . . . . 75.53 111.922 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 62.79 17.7 10.1 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.751 1.22 . . . . 71.14 113.603 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 98.0 mt -82.89 -179.12 7.35 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.064 0.945 . . . . 71.5 110.45 171.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.7 p -113.25 167.44 10.55 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.407 0.683 . . . . 71.25 110.006 170.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.14 -24.32 66.19 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.753 0.421 . . . . 61.4 111.932 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.5 m -67.17 -55.26 14.89 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.107 0.563 . . . . 63.34 110.069 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -57.64 -53.85 53.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.188 0.995 . . . . 73.34 112.45 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.01 -40.05 85.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.262 0 C-N-CA 123.271 0.628 . . . . 74.12 112.053 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -60.21 -50.45 73.61 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.661 0.384 . . . . 73.51 110.955 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.82 -40.13 81.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.541 0.736 . . . . 63.42 111.375 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.9 t90 -60.42 -59.77 4.87 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.096 0.558 . . . . 74.42 111.386 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -58.88 -34.55 71.77 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.278 0.631 . . . . 74.23 112.648 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.45 -48.56 79.12 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.92 0.888 . . . . 74.43 110.806 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.38 -45.35 93.53 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.894 0.878 . . . . 51.4 111.395 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -35.71 72.6 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.966 0.728 . . . . 74.12 112.966 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.5 mtm-85 -78.25 -36.75 46.5 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.897 0.38 . . . . 75.11 111.315 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' HD2' ' HE3' ' A' ' 58' ' ' LYS . 73.2 t80 -68.38 -34.44 76.06 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.062 0.945 . . . . 75.35 111.456 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 10.2 mmpt? -88.07 -7.49 56.92 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.442 1.097 . . . . 71.31 112.002 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.1 p -109.4 -0.56 18.92 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.527 0.731 . . . . 53.43 110.628 171.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -65.09 -24.86 67.56 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.97 0.908 . . . . 73.53 111.051 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.5 ptt85 -66.37 -160.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.275 1.03 . . . . 74.42 111.716 168.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -59.48 161.72 5.56 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 123.308 0.643 . . . . 65.15 111.332 168.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.53 178.74 0.28 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.477 1.288 . . . . 72.54 114.477 -168.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -51.95 -46.0 64.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.881 1.272 . . . . 75.3 113.137 -170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -80.3 81.5 6.55 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.201 0.601 . . . . 73.11 110.523 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -90.22 -168.01 2.0 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.09 0.956 . . . . 61.12 111.014 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -85.3 -0.33 54.41 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.713 0.805 . . . . 74.54 112.417 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.4 mt -69.81 132.8 46.61 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.409 0.684 . . . . 72.21 111.548 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.328 0 CA-C-O 121.387 0.437 . . . . 63.31 113.273 -177.616 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.498 1.967 0 CA-C-O 120.44 0.162 . . . . 75.21 111.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.43 -60.19 4.02 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 113.721 0.248 . . . . 50.33 113.721 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -140.9 103.92 4.58 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.853 0.861 . . . . 73.34 109.848 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -77.01 83.16 3.53 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.593 0.711 . . . . 64.23 111.126 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -68.15 108.6 3.2 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.095 0.474 . . . . 61.41 110.637 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -56.64 121.98 11.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.87 0.868 . . . . 74.0 112.167 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -70.41 104.03 2.6 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 122.586 0.354 . . . . 74.3 110.117 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -97.13 125.31 41.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.011 0.524 . . . . 60.22 110.383 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.8 p -145.65 143.1 29.63 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.386 0.674 . . . . 63.04 109.571 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -65.04 91.65 0.1 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.725 0.81 . . . . 74.43 112.413 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.9 mtt -137.36 142.09 41.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.961 0.904 . . . . 43.24 109.966 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -75.54 153.57 37.35 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 116.033 -0.531 . . . . 55.53 109.787 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.419 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.9 t60 -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.717 0.407 . . . . 72.44 110.675 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.7 m -64.3 -38.17 90.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.334 0.654 . . . . 53.54 110.76 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.38 -47.35 85.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.752 0.821 . . . . 71.43 111.252 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.49 -39.77 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 CA-C-N 116.061 -0.518 . . . . 74.33 111.046 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 13' ' ' HIS . 79.6 mt -59.02 -46.12 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 122.941 0.496 . . . . 41.34 111.084 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.4 -43.25 99.19 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.523 0.729 . . . . 73.41 111.609 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -41.92 94.3 Favored 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 123.851 0.86 . . . . 64.2 111.39 173.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.01 -35.87 77.15 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.132 0.973 . . . . 63.12 112.104 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.96 -38.34 82.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.409 0.684 . . . . 62.23 110.655 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 37' ' ' LEU . 16.1 tppt? -73.2 -45.18 57.78 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.131 0.573 . . . . 63.44 110.962 175.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.82 -37.43 79.17 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.473 1.109 . . . . 72.12 111.656 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -61.89 -39.06 90.66 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.232 1.013 . . . . 73.33 112.579 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -86.11 -34.17 20.7 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.038 0.535 . . . . 73.34 111.798 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' HD23 ' A' ' 29' ' ' LEU . 19.7 pt20 -152.06 133.31 14.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.717 0.807 . . . . 72.03 110.846 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB3' HH11 ' A' ' 56' ' ' ARG . 46.8 mmtm -86.14 -20.22 28.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.74 0.816 . . . . 73.22 112.007 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -123.49 129.02 50.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.808 0.843 . . . . 64.33 110.576 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ARG . 85.8 mt -99.2 137.18 38.08 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.572 0.749 . . . . 72.03 110.991 174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 m -74.41 162.09 29.18 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 108.99 -0.744 . . . . 74.33 108.99 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.68 -45.79 98.57 Favored Pre-proline 0 CA--C 1.575 1.936 0 N-CA-C 113.929 1.085 . . . . 63.24 113.929 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -59.75 -45.37 25.41 Favored 'Trans proline' 0 C--N 1.39 2.737 0 C-N-CA 122.022 1.814 . . . . 52.13 113.725 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.47 -38.95 85.19 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.37 0.668 . . . . 70.32 111.876 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' A' ' 29' ' ' LEU . 47.7 ttp180 -69.36 -40.8 77.26 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.048 0.939 . . . . 72.25 111.304 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.76 90.6 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.532 0.733 . . . . 74.52 111.577 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -65.61 -39.52 91.63 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.997 0.919 . . . . 75.05 111.386 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 22' ' ' LYS . 53.1 tp -74.75 -42.56 58.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.934 0.493 . . . . 74.12 110.94 177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.8 90.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.599 0.76 . . . . 63.33 112.383 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -65.95 -33.09 75.02 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.73 0.641 . . . . 73.24 112.73 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -61.72 -36.74 81.81 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.023 0.529 . . . . 54.14 111.419 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.26 11.77 23.42 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.524 0.73 . . . . 62.23 112.025 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 55.7 17.44 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 114.304 1.224 . . . . 74.12 114.304 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.6 175.35 10.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.882 0.873 . . . . 70.44 110.402 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -102.21 157.33 16.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 108.877 -0.786 . . . . 62.44 108.877 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.83 -39.8 62.79 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 112.937 0.718 . . . . 74.33 112.937 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.1 m -65.67 -43.22 89.98 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.875 0.47 . . . . 73.13 111.732 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -57.3 -48.51 78.76 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.21 0.604 . . . . 75.3 111.761 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.92 -49.54 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 123.646 0.778 . . . . 71.33 111.735 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.13 80.89 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.435 0.694 . . . . 72.45 111.891 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.97 -34.36 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-O 118.922 -0.561 . . . . 54.15 110.711 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.5 t90 -56.25 -55.34 34.5 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.227 0.467 . . . . 72.43 109.777 172.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -49.66 -44.31 47.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.836 0.855 . . . . 63.12 111.856 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.69 -39.98 95.69 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 123.545 0.738 . . . . 74.45 112.151 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -64.15 -42.83 96.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.581 0.752 . . . . 65.33 110.433 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 12.0 mmm180 -69.43 -29.84 67.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.208 1.003 . . . . 74.32 112.54 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' A' ' 27' ' ' LYS . 66.2 mtp85 -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.099 0.476 . . . . 71.32 110.796 170.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.17 -26.9 63.18 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 123.555 0.742 . . . . 73.43 110.703 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 41.2 mtpt -77.63 -24.44 49.51 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.893 0.477 . . . . 75.2 110.946 173.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -69.84 119.03 13.45 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.312 -0.996 . . . . 74.32 108.312 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -57.92 109.75 0.79 Allowed 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 121.816 0.817 . . . . 54.15 112.269 -170.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -70.53 82.87 0.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.922 -1.035 . . . . 55.15 109.136 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -167.03 -42.48 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.331 -1.304 . . . . 75.54 109.373 -166.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -63.08 159.64 16.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.372 -0.831 . . . . 75.14 111.894 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.57 -53.66 48.55 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.202 1.001 . . . . 73.34 112.348 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -95.03 88.31 5.2 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.767 0.827 . . . . 62.03 111.239 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.9 p -156.72 -179.9 8.63 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.606 0.763 . . . . 72.23 110.547 173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -87.09 95.86 10.09 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.782 0.66 . . . . 74.42 112.782 -171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 68' ' ' LEU . 2.3 pt? -121.81 118.43 28.98 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.323 1.049 . . . . 75.34 109.929 171.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.416 0 C-N-CA 123.483 0.563 . . . . 72.55 113.086 -175.179 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 110.311 -0.255 . . . . 74.52 110.311 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.67 -139.02 10.29 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-O 119.806 -0.441 . . . . 73.2 113.362 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 59.09 40.52 21.88 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.844 1.258 . . . . 64.32 111.863 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.84 106.37 12.8 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.07 0.548 . . . . 61.32 110.982 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -84.21 115.54 22.49 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.715 0.806 . . . . 71.44 109.548 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -79.23 150.01 31.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.538 0.735 . . . . 64.1 111.294 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -82.07 -28.32 32.45 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.898 0.479 . . . . 71.13 111.065 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -70.96 118.69 14.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.255 -0.646 . . . . 73.42 109.255 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -58.29 130.75 48.16 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.586 0.755 . . . . 61.34 111.782 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -113.09 163.85 14.21 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.564 0.746 . . . . 72.24 111.071 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.6 mpt? -62.3 157.24 20.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.803 0.841 . . . . 52.14 112.956 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 t -79.19 163.9 24.64 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.637 -0.711 . . . . 53.11 110.175 178.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -56.68 -56.57 19.81 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 113.08 0.77 . . . . 75.43 113.08 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.8 m -65.49 -30.55 71.34 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 122.984 0.514 . . . . 54.12 111.773 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -66.33 -42.37 88.27 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.295 0.638 . . . . 73.31 111.293 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 12' ' ' SER . 98.3 t -60.95 -40.99 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.55 0.74 . . . . 42.12 109.992 172.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 14' ' ' THR . 78.6 mt -55.52 -49.57 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.412 0.685 . . . . 74.23 111.263 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.03 -41.03 99.43 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.557 0.743 . . . . 73.14 112.179 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 37' ' ' LEU . 76.6 mt -63.01 -39.95 96.31 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 115.398 -0.819 . . . . 75.41 111.275 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -68.79 -36.15 77.92 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 124.007 0.923 . . . . 73.44 111.624 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.04 -51.32 69.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.444 0.698 . . . . 63.15 110.319 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.557 ' HG2' HD22 ' A' ' 37' ' ' LEU . 55.0 tptt -61.89 -40.27 94.84 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 123.332 0.653 . . . . 53.25 111.129 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -62.29 -36.28 81.63 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.724 1.209 . . . . 74.04 111.013 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 m -63.42 -44.64 94.02 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.489 0.716 . . . . 75.22 111.901 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -77.08 -31.78 56.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.31 0.244 . . . . 74.43 111.177 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.41 136.05 10.34 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.432 0.693 . . . . 74.22 111.288 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -84.5 -32.0 24.19 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.006 0.922 . . . . 74.42 111.299 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -107.48 121.57 44.9 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.881 0.872 . . . . 72.33 110.587 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -95.47 139.27 32.0 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.167 0.587 . . . . 64.15 110.476 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.1 m -78.76 171.88 14.53 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.428 -0.582 . . . . 72.01 109.428 169.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.36 99.15 Favored Pre-proline 0 CA--C 1.573 1.827 0 N-CA-C 113.678 0.992 . . . . 64.31 113.678 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.12 -33.09 26.03 Favored 'Trans proline' 0 C--N 1.388 2.652 0 CA-C-N 121.209 1.467 . . . . 73.4 113.09 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.77 -43.18 59.71 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.821 0.848 . . . . 62.22 112.016 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -66.47 -40.29 89.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.645 0.778 . . . . 74.24 110.885 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.19 88.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.375 0.67 . . . . 53.34 111.631 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -65.61 -42.57 91.44 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.122 0.569 . . . . 73.23 111.208 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 ' HG2' ' A' ' 22' ' ' LYS . 58.7 tp -65.9 -43.05 89.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.565 0.746 . . . . 75.53 110.878 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.76 30.69 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.655 0.782 . . . . 40.13 112.247 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.23 83.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.492 0.553 . . . . 73.55 112.492 -174.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.65 -35.09 79.39 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.303 0.641 . . . . 74.51 112.087 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -98.63 10.05 41.93 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.602 0.761 . . . . 62.44 111.566 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 60.38 12.97 3.73 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.912 1.285 . . . . 74.31 113.498 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.86 177.85 7.83 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.493 1.117 . . . . 71.35 111.656 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -107.47 156.84 18.53 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.615 0.766 . . . . 73.13 109.613 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.09 -29.52 65.52 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.174 0.59 . . . . 73.22 112.401 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -63.38 -56.47 16.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.248 0.619 . . . . 63.43 110.481 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.5 -44.46 96.32 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.469 0.707 . . . . 74.45 112.656 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -42.78 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.036 0.534 . . . . 62.4 110.971 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.07 -38.49 91.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.069 0.548 . . . . 74.25 111.752 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.28 -48.61 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.326 0.651 . . . . 74.33 110.564 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 86.5 t90 -58.49 -51.56 69.34 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.112 0.565 . . . . 74.03 110.54 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -56.03 -42.25 76.21 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.606 0.762 . . . . 64.11 111.968 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -64.44 -49.02 73.14 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.69 0.796 . . . . 73.12 111.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 16.8 m-80 -61.6 -40.64 95.55 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.402 0.681 . . . . 65.22 110.89 174.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -63.88 -35.32 80.25 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.593 0.757 . . . . 75.3 111.562 178.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -72.07 -27.62 62.79 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.302 1.041 . . . . 74.14 111.161 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -73.37 -27.53 61.53 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 123.764 0.826 . . . . 72.43 110.732 169.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HD2' ' HD2' ' A' ' 55' ' ' ARG . 62.4 mttm -85.78 -22.51 27.65 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.643 0.777 . . . . 74.12 112.845 -178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 55' ' ' ARG . 14.6 t -123.42 143.58 50.04 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 118.267 0.485 . . . . 64.01 112.257 -176.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 46.27 62.43 2.28 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.141 1.377 . . . . 75.21 112.573 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HD3' ' H ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -135.16 177.76 7.56 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.677 0.791 . . . . 75.1 111.176 -171.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -108.84 148.06 31.16 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.942 0.897 . . . . 71.44 110.156 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -75.36 -59.91 2.53 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.182 0.515 . . . . 71.23 110.198 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.3 -54.6 1.88 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.531 1.133 . . . . 73.2 108.747 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 p -128.3 -49.89 1.3 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.148 0.979 . . . . 55.13 110.335 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.1 p -159.75 147.48 16.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.752 0.821 . . . . 54.54 109.895 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -85.4 45.66 1.21 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.518 0.675 . . . . 74.15 111.545 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.1 tp -83.59 132.54 34.9 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.993 0.917 . . . . 74.23 110.233 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.26 0 CA-C-O 120.979 0.211 . . . . 73.35 112.942 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.485 0.183 . . . . 74.45 111.36 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.27 45.17 20.19 Favored Glycine 0 C--N 1.349 1.263 0 N-CA-C 113.961 0.344 . . . . 61.01 113.961 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -93.36 9.82 34.77 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 113.17 0.804 . . . . 70.44 113.17 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -106.29 109.7 21.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.713 0.405 . . . . 63.42 110.394 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -165.66 -177.49 4.38 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.593 0.757 . . . . 75.31 110.968 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -83.95 157.78 21.79 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.335 0.654 . . . . 75.42 111.874 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -82.17 -71.54 0.48 Allowed 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.176 0.59 . . . . 55.35 111.348 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -74.88 -36.86 62.26 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.041 0.536 . . . . 74.24 111.94 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -73.83 77.89 1.6 Allowed 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 121.849 0.833 . . . . 60.15 109.432 170.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -169.41 112.44 0.5 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 114.557 -1.201 . . . . 65.02 109.633 -169.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -60.26 151.82 26.45 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 123.381 0.672 . . . . 74.31 111.598 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.5 m -69.45 154.15 42.46 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 118.981 -0.533 . . . . 74.43 110.753 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -50.18 -59.54 3.83 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.5 0.72 . . . . 75.33 112.493 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -67.32 -30.41 70.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.792 0.437 . . . . 74.04 111.927 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -63.63 -43.67 96.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.992 0.517 . . . . 73.22 111.371 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.14 -37.75 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 119.044 -0.503 . . . . 74.03 110.292 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 45.3 mm -54.82 -49.6 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 122.628 0.371 . . . . 71.34 110.452 175.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 17.1 mm-40 -64.12 -43.52 95.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.901 0.881 . . . . 71.55 112.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.01 -40.7 90.19 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.695 0.798 . . . . 74.05 111.336 174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.94 -33.66 70.72 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.659 1.184 . . . . 63.12 111.655 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 81.1 mtp180 -58.29 -48.0 81.86 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.487 0.715 . . . . 72.54 110.897 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.3 tptm -74.7 -34.67 62.65 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 115.314 -0.857 . . . . 73.23 111.595 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.59 -40.25 88.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.476 0.71 . . . . 74.43 111.033 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.5 m -71.56 -26.03 62.46 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.279 0.632 . . . . 72.42 111.168 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -74.1 -41.0 62.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.74 . . . . 61.24 110.618 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -162.54 135.52 5.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.478 1.111 . . . . 70.31 109.787 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.51 -24.11 36.89 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.103 0.561 . . . . 75.34 111.116 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -123.0 124.52 43.33 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.809 0.844 . . . . 74.51 110.58 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.98 154.64 18.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.683 0.793 . . . . 75.12 110.978 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -85.76 174.99 8.95 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.23 0.612 . . . . 74.21 109.495 166.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -47.46 98.62 Favored Pre-proline 0 CA--C 1.567 1.596 0 CA-C-O 118.754 -0.641 . . . . 72.03 112.378 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.61 -48.05 12.13 Favored 'Trans proline' 0 C--N 1.389 2.671 0 C-N-CA 121.658 1.572 . . . . 72.11 113.088 172.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -59.6 -39.7 85.07 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.984 0.914 . . . . 72.11 113.357 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -70.36 -39.74 74.44 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.608 0.763 . . . . 53.45 110.654 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -37.95 81.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.626 0.771 . . . . 73.22 111.592 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -61.47 -57.12 13.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.223 0.609 . . . . 72.44 109.763 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 ' HG2' ' A' ' 22' ' ' LYS . 32.6 tp -62.36 -37.53 86.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.111 0.564 . . . . 75.12 111.711 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.35 -57.63 11.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.334 0.654 . . . . 54.3 111.322 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -68.65 -28.41 66.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.245 0.461 . . . . 74.44 112.245 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -38.57 88.83 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.579 0.752 . . . . 63.2 111.777 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -108.9 10.9 26.33 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.63 0.772 . . . . 74.41 112.649 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.12 28.93 13.72 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.586 1.154 . . . . 72.14 113.046 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.6 174.54 7.46 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.419 1.088 . . . . 71.12 110.297 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.0 p -103.7 154.23 19.77 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.796 -0.816 . . . . 65.43 108.796 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.19 -19.63 61.82 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 122.747 0.419 . . . . 53.23 111.973 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -70.74 -52.7 19.16 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.612 0.765 . . . . 75.14 110.753 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -62.61 -41.31 98.92 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.746 0.818 . . . . 73.0 112.398 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.37 -39.88 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.328 0.651 . . . . 71.5 111.007 175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -61.71 -48.65 79.82 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.505 0.722 . . . . 73.21 111.902 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.39 -46.79 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.777 0.831 . . . . 73.3 110.524 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 79.8 t90 -54.91 -59.93 4.07 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.524 0.73 . . . . 74.22 109.866 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.3 m-85 -49.16 -44.42 42.77 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.964 0.906 . . . . 62.44 112.584 176.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -56.26 -55.33 34.55 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.362 0.665 . . . . 74.4 112.105 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -64.21 -38.57 91.51 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.842 0.457 . . . . 73.15 111.893 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 51' ' ' TRP . 24.4 mmm180 -65.89 -32.39 73.86 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 112.709 0.633 . . . . 70.3 112.709 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 65.2 mtt180 -63.37 -38.74 92.31 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.766 0.426 . . . . 74.43 110.37 172.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.66 -31.77 70.04 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.0 0.92 . . . . 75.5 111.729 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 10.6 mmpt? -77.85 -34.48 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.476 0.711 . . . . 75.12 112.17 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p -98.06 -3.12 38.68 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.501 0.72 . . . . 73.33 110.851 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -67.41 148.29 51.78 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.329 0.652 . . . . 74.13 110.353 169.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -55.5 130.79 44.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.662 0.785 . . . . 75.04 110.872 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.65 80.31 0.6 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.635 0.774 . . . . 71.44 111.795 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -113.41 168.85 9.4 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.291 1.036 . . . . 73.14 109.953 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.03 -17.46 64.42 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.641 0.776 . . . . 60.02 112.155 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t 72.14 -68.85 0.21 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 125.473 1.509 . . . . 74.12 111.839 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.9 m -112.73 -176.56 2.93 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.861 0.864 . . . . 73.44 110.948 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -94.52 100.25 12.26 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.893 0.877 . . . . 63.33 110.654 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.85 99.12 11.6 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.798 0.839 . . . . 74.14 109.815 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.418 0 CA-C-N 116.412 -0.358 . . . . 65.51 112.829 -179.203 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.029 -0.034 . . . . 72.53 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.46 -135.46 33.66 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 123.61 0.569 . . . . 62.2 114.214 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -102.54 131.37 49.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.883 0.873 . . . . 73.14 110.002 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -70.13 102.99 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.432 0.693 . . . . 73.14 110.513 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -77.46 158.21 30.09 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.672 0.389 . . . . 65.35 111.637 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -82.54 170.08 15.61 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.3 0.64 . . . . 70.43 112.191 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -89.79 138.35 31.56 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.22 1.008 . . . . 75.4 110.846 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -69.22 84.26 0.37 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-O 121.18 0.514 . . . . 62.14 109.936 175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -90.09 35.08 0.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.864 0.866 . . . . 54.13 111.808 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -90.22 28.94 1.32 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.816 0.846 . . . . 74.34 111.341 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.4 mtt -148.59 149.14 31.04 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.542 1.537 . . . . 45.13 109.128 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -89.36 165.38 14.41 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 122.661 0.384 . . . . 54.34 110.641 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.22 -50.92 69.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.296 0.638 . . . . 72.53 111.976 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.4 m -68.74 -32.65 72.57 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.139 0.576 . . . . 75.12 111.087 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -62.85 -43.07 99.79 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.598 0.759 . . . . 71.42 111.193 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 19' ' ' LEU . 47.5 t -62.8 -35.63 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.467 0.707 . . . . 72.32 111.229 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.25 -47.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 122.787 0.435 . . . . 71.51 110.504 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.44 -43.65 84.06 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.419 0.688 . . . . 73.13 111.231 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.0 mt -59.36 -39.28 82.73 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 123.872 0.869 . . . . 65.54 111.053 173.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 16' ' ' VAL . 44.9 mt-10 -70.28 -25.9 63.56 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.209 1.004 . . . . 73.21 112.726 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -62.51 -48.08 81.15 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 118.151 0.432 . . . . 71.14 110.993 170.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HG2' HD22 ' A' ' 37' ' ' LEU . 49.4 tptt -69.4 -37.12 77.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.181 0.592 . . . . 72.02 110.966 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -68.94 -32.57 72.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.579 1.152 . . . . 71.54 111.267 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -61.85 -39.68 92.71 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.847 0.859 . . . . 54.34 111.586 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -73.24 -44.69 59.03 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.384 0.673 . . . . 63.1 111.029 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -158.19 145.51 18.05 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.417 0.627 . . . . 70.24 112.029 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.8 -22.82 25.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.362 1.065 . . . . 63.32 112.191 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -125.74 109.68 12.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.878 0.871 . . . . 71.33 110.195 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.88 145.81 25.87 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.258 0.551 . . . . 74.51 112.053 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -86.46 171.68 10.93 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.816 -0.629 . . . . 60.04 109.438 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.82 92.81 Favored Pre-proline 0 CA--C 1.577 2.003 0 N-CA-C 114.29 1.218 . . . . 62.21 114.29 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.9 -56.19 0.84 Allowed 'Trans proline' 0 C--N 1.389 2.694 0 C-N-CA 121.82 1.68 . . . . 74.15 113.7 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.71 -37.86 88.95 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.827 0.851 . . . . 60.0 112.978 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.49 -38.86 92.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.291 0.636 . . . . 64.11 111.3 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.32 73.35 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.566 0.746 . . . . 51.5 112.203 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -63.52 -49.2 74.46 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.964 0.505 . . . . 73.31 110.783 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.6 tp -64.56 -38.84 92.39 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.199 0.6 . . . . 74.11 111.22 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.35 22.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.798 0.839 . . . . 51.13 112.279 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -63.86 -35.27 80.1 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 112.818 0.673 . . . . 75.43 112.818 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -64.47 -26.61 68.51 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 112.65 0.611 . . . . 70.31 112.65 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -111.71 15.15 21.11 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 113.339 0.866 . . . . 73.23 113.339 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mptt 56.42 19.74 4.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.237 0.828 . . . . 74.4 113.237 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -92.09 178.35 5.89 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.054 0.942 . . . . 74.31 110.439 176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.6 p -114.81 166.16 12.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.315 0.646 . . . . 75.25 109.567 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.18 -27.76 69.59 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.04 0.536 . . . . 71.41 110.903 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -63.54 -55.69 21.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.636 0.774 . . . . 71.42 110.447 174.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -60.45 -49.18 78.6 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.968 0.907 . . . . 73.43 112.087 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.36 -37.75 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.692 0.797 . . . . 61.45 111.468 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -68.05 -38.84 82.95 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.426 0.291 . . . . 74.12 111.326 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.69 -49.58 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.003 0.521 . . . . 74.2 110.354 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 83.8 t90 -59.23 -54.89 41.72 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-O 119.009 -0.52 . . . . 72.22 111.111 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -57.37 -38.37 74.11 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 112.949 0.722 . . . . 72.14 112.949 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.84 -54.03 41.33 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.622 0.769 . . . . 75.12 111.405 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' HD22 ' A' ' 54' ' ' ASN . 0.8 OUTLIER -65.11 -43.38 92.21 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.306 1.043 . . . . 73.45 111.421 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' THR . 13.6 tpt180 -62.56 -45.66 91.9 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.407 1.083 . . . . 72.44 111.159 -176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -63.38 -38.04 89.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.449 0.7 . . . . 62.4 109.799 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.3 -32.63 74.39 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 122.702 0.401 . . . . 74.31 111.601 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.84 -6.89 57.03 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.68 0.993 . . . . 74.01 113.68 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 55' ' ' ARG . 66.6 p -77.82 15.59 0.83 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 112.774 0.657 . . . . 71.42 112.774 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -67.31 82.12 0.14 Allowed 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.786 0.803 . . . . 74.12 110.769 172.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -155.14 -43.88 0.08 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 114.589 -1.187 . . . . 74.12 109.44 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -115.03 136.29 53.29 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.375 1.07 . . . . 74.24 109.173 174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -48.87 138.29 11.5 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.965 0.906 . . . . 73.12 112.965 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 tp -63.51 -18.8 64.19 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.211 1.005 . . . . 74.35 112.171 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -57.09 -29.17 63.28 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.364 1.066 . . . . 75.22 112.162 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.4 p -70.2 -39.53 75.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.131 0.572 . . . . 71.42 111.141 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.9 -39.48 69.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.261 0.624 . . . . 74.35 111.195 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tt -77.74 93.25 4.27 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 123.349 0.66 . . . . 53.2 110.229 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.251 0 CA-C-N 116.052 -0.522 . . . . 23.25 112.307 175.356 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 110.299 -0.259 . . . . 70.03 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.86 72.36 2.62 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.467 -0.253 . . . . 50.31 112.467 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -86.56 -11.64 50.98 Favored 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 124.064 0.946 . . . . 74.52 113.047 -172.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -55.79 -28.65 57.22 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.318 1.229 . . . . 70.33 114.318 -173.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -64.54 115.96 5.69 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.161 0.505 . . . . 62.43 110.333 175.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -157.67 141.54 15.84 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.078 0.551 . . . . 74.5 110.412 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -90.61 146.06 24.36 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.475 0.71 . . . . 71.53 111.565 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -116.13 81.84 1.68 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.922 0.889 . . . . 52.24 109.836 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -69.18 102.72 1.74 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 71.23 112.475 -172.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -104.69 131.87 51.61 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.933 0.493 . . . . 72.31 109.855 175.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.44 166.84 7.73 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 122.773 0.429 . . . . 71.22 111.101 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.8 t -66.0 148.96 51.0 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 118.683 -0.675 . . . . 73.14 109.664 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.73 -48.84 74.51 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.474 0.579 . . . . 74.4 112.522 -173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -63.69 -39.31 94.01 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.859 0.463 . . . . 60.12 110.823 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 41' ' ' LEU . 62.9 tt0 -63.02 -44.21 96.59 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.291 1.036 . . . . 71.13 112.11 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -59.84 -42.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 123.632 0.773 . . . . 73.52 110.215 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 85.7 mt -59.01 -40.31 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 123.703 0.801 . . . . 64.52 111.33 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.0 mm-40 -64.57 -44.81 89.51 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.21 0.604 . . . . 72.51 110.967 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.06 -36.61 77.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.097 0.959 . . . . 73.41 111.125 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.133 0.973 . . . . 73.15 112.313 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 44.2 mtm180 -68.34 -30.81 69.87 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 120.729 0.3 . . . . 64.15 111.032 175.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' HG2' HD22 ' A' ' 37' ' ' LEU . 54.4 tptt -77.14 -42.05 39.36 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.288 0.635 . . . . 44.11 110.138 172.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.77 -42.07 97.85 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.783 1.233 . . . . 74.32 112.568 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.9 p -66.77 -22.04 66.04 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.966 0.906 . . . . 73.22 112.961 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -93.89 -37.22 11.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.825 0.45 . . . . 72.4 111.023 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.13 128.56 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 121.813 0.816 . . . . 75.43 111.404 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -81.44 -24.49 36.81 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.417 -0.811 . . . . 73.3 111.418 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -117.9 136.98 53.12 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.373 1.069 . . . . 63.05 110.919 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.87 145.4 30.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.768 0.827 . . . . 72.3 111.125 174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.6 m -83.32 169.6 15.49 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.68 -0.489 . . . . 73.05 109.68 168.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.53 99.26 Favored Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 113.71 1.004 . . . . 64.45 113.71 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.62 -49.13 12.61 Favored 'Trans proline' 0 C--N 1.389 2.709 0 C-N-CA 121.837 1.691 . . . . 73.5 112.96 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.48 -43.64 98.5 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.949 0.899 . . . . 53.42 112.794 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.05 -37.6 75.59 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.479 -0.782 . . . . 71.54 111.603 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.03 90.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.461 0.704 . . . . 31.12 111.864 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -64.9 -46.59 81.08 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.98 0.512 . . . . 70.1 111.98 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.0 tp -63.33 -33.86 76.45 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.807 0.443 . . . . 63.02 111.188 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.81 -57.16 8.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.401 0.681 . . . . 71.21 112.149 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.8 -40.32 96.37 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 112.557 0.577 . . . . 74.43 112.557 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -66.5 -33.02 74.75 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.367 0.667 . . . . 65.34 112.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' HB3' HE21 ' A' ' 15' ' ' GLN . 90.3 mt -102.14 11.82 37.73 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.298 0.639 . . . . 73.35 111.917 175.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mptt 59.41 16.69 5.34 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 124.907 1.283 . . . . 73.03 113.889 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.1 mt -86.89 -179.05 6.45 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.915 0.886 . . . . 60.11 110.329 173.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -110.0 160.0 16.8 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.027 -0.731 . . . . 73.41 109.027 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -55.35 -34.98 64.72 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.301 0.641 . . . . 72.04 111.428 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 50' ' ' ILE . 85.1 m -62.26 -52.23 64.57 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.434 0.694 . . . . 74.02 111.06 175.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.63 -44.98 95.97 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.803 0.841 . . . . 74.3 112.305 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.73 -42.8 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.431 0.692 . . . . 72.33 111.248 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.84 -42.43 97.75 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.068 0.547 . . . . 73.25 111.488 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 46' ' ' THR . 99.5 mt -62.56 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.718 0.807 . . . . 63.3 110.533 178.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -57.85 -56.86 16.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.316 0.646 . . . . 73.14 110.481 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -56.39 -38.24 71.22 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.879 0.872 . . . . 72.23 112.715 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' HG2' ' A' ' 63' ' ' GLN . 29.9 tt0 -64.4 -54.56 30.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.501 0.72 . . . . 41.41 111.302 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 35.7 m-80 -61.37 -40.83 95.74 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.538 0.735 . . . . 72.21 112.036 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -60.23 -44.32 95.3 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.529 0.566 . . . . 74.14 112.529 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -69.9 -28.27 65.49 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.023 0.44 . . . . 72.33 110.817 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HD1' ' H ' ' A' ' 63' ' ' GLN . 39.2 t80 -76.92 -24.27 52.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.593 0.757 . . . . 73.12 111.497 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 54' ' ' ASN . 8.8 mtpm? -77.53 -6.96 55.46 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.568 0.747 . . . . 34.44 111.588 175.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 t -116.83 -162.78 0.87 Allowed 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 109.025 -0.732 . . . . 74.13 109.025 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.12 -12.18 53.95 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 114.87 1.433 . . . . 72.15 114.87 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -87.15 93.42 9.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.897 0.38 . . . . 74.22 111.422 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.13 107.34 11.82 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.705 0.402 . . . . 65.45 110.325 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.453 ' HG2' ' HG3' ' A' ' 53' ' ' GLN . 2.9 mp0 -67.63 142.77 56.31 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.52 0.728 . . . . 73.33 111.37 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.6 tp -67.49 -57.82 5.83 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.06 -0.718 . . . . 74.13 109.06 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t 68.94 152.6 0.09 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 125.328 1.451 . . . . 61.03 113.037 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -68.89 -28.11 66.4 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.284 0.634 . . . . 74.11 111.651 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -71.62 115.46 10.83 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.56 0.744 . . . . 72.33 110.882 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.2 169.17 18.12 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.563 0.745 . . . . 71.43 112.275 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.936 0 CA-C-N 115.67 -0.695 . . . . 73.43 113.436 178.016 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.958 0.409 . . . . 61.11 111.766 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.14 111.83 2.85 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 111.591 -0.604 . . . . 53.24 111.591 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -75.27 97.31 3.52 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 122.989 0.515 . . . . 74.32 110.907 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -74.92 124.66 27.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.421 0.688 . . . . 63.33 112.165 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -85.3 133.77 34.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.505 0.722 . . . . 72.43 110.375 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -161.41 105.96 1.3 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.223 1.009 . . . . 73.43 110.184 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -79.8 131.39 35.89 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.659 0.784 . . . . 74.25 112.275 -172.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.3 117.44 29.03 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.741 0.816 . . . . 75.42 109.847 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 t -72.79 92.78 1.61 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.949 0.5 . . . . 75.24 110.972 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -78.83 86.31 4.75 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.479 0.657 . . . . 73.34 109.782 174.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.2 mtm -69.6 165.64 20.69 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 114.955 -1.021 . . . . 64.5 112.413 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 m -74.96 148.83 39.63 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.142 0.577 . . . . 61.44 110.939 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 17' ' ' ILE . 84.8 t60 -60.22 -46.24 90.42 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.137 0.575 . . . . 70.41 111.41 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 17' ' ' ILE . 35.0 m -64.66 -34.75 79.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.473 0.709 . . . . 34.12 111.201 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.73 -41.51 83.37 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.644 0.778 . . . . 64.42 111.732 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.531 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.5 t -64.57 -33.67 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 122.999 0.519 . . . . 75.1 110.999 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 14' ' ' THR . 79.3 mt -57.28 -47.16 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 122.99 0.516 . . . . 53.23 110.197 171.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -63.46 -41.28 98.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.749 0.82 . . . . 75.33 112.045 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 16' ' ' VAL . 60.6 mt -59.15 -40.85 86.8 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.76 0.824 . . . . 53.23 111.093 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.54 -26.66 60.11 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.923 0.889 . . . . 64.3 112.463 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 84.8 mtp180 -60.85 -36.34 78.9 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.005 0.522 . . . . 52.42 110.827 171.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -83.0 -37.87 23.41 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.588 -0.733 . . . . 65.44 110.709 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.33 -37.39 85.24 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.347 1.059 . . . . 70.42 112.556 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.1 p -64.79 -29.16 70.12 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.583 0.753 . . . . 53.14 112.578 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -85.26 -35.84 21.29 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.923 0.489 . . . . 63.22 110.914 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -154.91 131.86 10.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.268 0.627 . . . . 70.14 110.623 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -75.61 -18.71 59.62 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.763 0.825 . . . . 74.25 112.213 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -141.2 137.69 32.82 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.004 0.922 . . . . 74.33 110.554 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 mt -95.5 166.17 11.99 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.968 0.907 . . . . 42.35 112.159 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -89.2 163.78 15.26 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 108.294 -1.002 . . . . 71.43 108.294 165.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.59 99.72 Favored Pre-proline 0 CA--C 1.569 1.676 0 N-CA-C 113.199 0.814 . . . . 54.12 113.199 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.57 -42.38 55.06 Favored 'Trans proline' 0 C--N 1.393 2.873 0 C-N-CA 122.041 1.827 . . . . 75.44 113.858 172.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.65 -34.55 74.16 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 123.683 0.793 . . . . 65.35 112.297 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -65.96 -43.61 87.41 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.438 1.095 . . . . 73.34 110.655 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.14 70.5 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.363 -0.835 . . . . 74.53 111.771 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.26 -39.86 94.3 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.26 1.024 . . . . 74.32 110.872 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 HD23 ' A' ' 19' ' ' LEU . 26.7 tp -80.22 -37.36 33.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.337 0.655 . . . . 63.02 111.116 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -50.4 72.98 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.758 0.823 . . . . 64.33 112.213 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.49 -40.68 95.43 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.664 0.616 . . . . 62.32 112.664 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -58.66 -46.11 87.88 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.113 0.565 . . . . 72.32 111.534 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.7 mt -96.81 7.04 47.51 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.382 -0.826 . . . . 62.25 112.36 -174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 57.75 21.99 7.99 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.461 1.104 . . . . 71.55 112.804 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD22 ' NE2' ' A' ' 47' ' ' GLN . 92.3 mt -86.13 173.8 9.59 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.97 0.908 . . . . 72.24 110.371 176.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -98.94 158.45 15.63 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 108.551 -0.907 . . . . 61.11 108.551 171.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.29 -28.99 65.5 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.64 0.257 . . . . 64.41 111.633 172.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 50' ' ' ILE . 92.5 m -62.5 -53.4 55.31 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 123.647 0.779 . . . . 64.35 110.796 173.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' NE2' HD22 ' A' ' 43' ' ' LEU . 28.9 mt-30 -65.29 -38.98 91.9 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.69 0.796 . . . . 72.13 112.902 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.45 -44.82 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 122.75 0.42 . . . . 65.12 110.399 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -59.04 -42.55 90.51 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.437 0.695 . . . . 54.12 111.564 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 46' ' ' THR . 96.8 mt -63.83 -48.62 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.884 0.874 . . . . 74.01 111.219 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 89.2 t90 -60.34 -54.13 49.32 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.353 0.408 . . . . 74.1 110.766 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.9 m-85 -58.54 -36.59 74.11 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.57 0.544 . . . . 74.01 112.43 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.95 -51.88 54.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.747 0.819 . . . . 61.42 111.257 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 90.7 m-20 -58.12 -42.53 85.98 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.826 0.851 . . . . 74.21 110.997 174.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' TRP . 5.1 tpt180 -66.95 -35.99 81.23 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.259 1.024 . . . . 73.43 112.084 -174.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 52' ' ' PHE . 81.5 mtm-85 -72.59 -27.68 62.32 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.654 0.381 . . . . 64.31 110.692 173.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -76.29 -25.94 55.39 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 123.302 0.641 . . . . 73.41 111.119 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 10.7 mmpt? -74.1 -15.03 61.07 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.279 0.632 . . . . 73.34 111.766 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -117.78 173.28 6.84 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.852 0.861 . . . . 64.14 109.345 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 mttp 61.35 17.55 8.43 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.18 0.992 . . . . 75.12 112.302 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -63.39 149.42 45.93 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.54 0.736 . . . . 74.22 111.126 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -53.28 160.36 1.14 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.901 1.28 . . . . 74.14 113.21 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -49.64 148.07 3.16 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.788 1.235 . . . . 75.33 111.917 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.3 tp -61.14 -26.82 67.95 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.65 0.78 . . . . 74.32 112.091 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.2 p -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.286 0.635 . . . . 53.51 110.962 172.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.5 p 55.03 25.61 7.16 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 125.614 1.566 . . . . 73.41 112.478 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -67.37 -59.83 3.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.093 0.957 . . . . 71.43 111.456 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -54.63 133.88 46.75 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.797 0.839 . . . . 64.3 111.402 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.43 0 CA-C-N 116.572 -0.286 . . . . 73.32 112.779 -178.483 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.479 0.181 . . . . 74.11 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.19 -173.13 20.84 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 123.457 0.551 . . . . 73.41 113.064 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -141.13 131.49 25.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.662 0.785 . . . . 51.14 110.34 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -163.41 118.09 1.63 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.857 0.863 . . . . 64.25 109.474 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -155.73 110.33 2.9 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.823 0.449 . . . . 72.43 110.735 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -90.85 121.58 32.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.121 0.568 . . . . 65.32 110.408 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -92.17 147.47 22.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.843 0.457 . . . . 71.41 110.465 172.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -99.19 116.36 31.21 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 120.875 0.369 . . . . 72.14 110.346 172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -111.64 82.63 1.65 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.431 0.634 . . . . 54.25 110.745 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -120.16 144.81 47.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.947 0.899 . . . . 72.32 110.043 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.4 mpt? -60.92 167.1 3.03 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 123.673 0.789 . . . . 74.41 112.306 174.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 33.9 t -65.84 158.76 26.98 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 123.17 0.588 . . . . 72.03 110.641 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -57.33 -62.43 1.78 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.725 0.639 . . . . 73.42 112.725 -171.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -60.06 -33.29 71.85 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.765 0.826 . . . . 60.23 111.415 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.46 -44.51 86.97 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.677 1.191 . . . . 72.35 112.493 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' SER . 75.6 t -60.83 -43.84 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.319 0.648 . . . . 73.13 110.138 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 58.5 mt -60.35 -39.13 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 123.444 0.698 . . . . 52.43 110.872 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.09 -43.22 92.83 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.474 0.71 . . . . 73.32 112.212 175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.49 -40.64 92.06 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.709 0.804 . . . . 62.43 110.624 173.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.85 -36.42 82.29 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.556 1.142 . . . . 75.31 112.104 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 79.4 mtp180 -58.64 -38.59 78.44 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.382 0.673 . . . . 75.34 111.052 173.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 29' ' ' LEU . 50.3 tptt -80.8 -36.19 32.05 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 115.94 -0.573 . . . . 75.24 111.61 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -67.91 -37.34 81.57 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.066 0.946 . . . . 74.35 112.165 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -65.84 -28.51 69.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.851 0.86 . . . . 64.23 111.744 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -81.98 -42.27 19.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.931 0.492 . . . . 75.42 111.472 174.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -151.36 134.57 15.99 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 121.639 0.733 . . . . 62.34 111.672 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 40.7 mmtm -73.12 -24.59 60.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.314 1.046 . . . . 73.42 113.681 -174.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -140.34 143.39 35.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.945 0.898 . . . . 70.02 110.251 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.473 HD21 ' HG3' ' A' ' 22' ' ' LYS . 57.8 mt -96.81 152.83 18.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.12 0.568 . . . . 70.55 111.269 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.9 m -83.94 168.67 15.8 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 108.766 -0.827 . . . . 60.42 108.766 166.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -44.15 98.56 Favored Pre-proline 0 CA--C 1.572 1.802 0 N-CA-C 113.906 1.076 . . . . 63.23 113.906 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -60.99 -50.96 5.24 Favored 'Trans proline' 0 C--N 1.392 2.82 0 C-N-CA 121.822 1.681 . . . . 61.11 113.631 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.07 -38.04 84.82 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 123.537 0.735 . . . . 74.33 112.365 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -72.12 -41.63 66.99 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.412 0.685 . . . . 74.42 111.315 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.01 80.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.61 0.764 . . . . 61.22 112.042 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.89 -46.31 88.42 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.837 -0.62 . . . . 71.3 111.669 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 22' ' ' LYS . 34.2 tp -65.06 -39.44 93.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.52 0.328 . . . . 71.45 111.131 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.86 -53.49 57.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.613 0.765 . . . . 71.25 112.189 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -30.32 70.1 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.634 0.605 . . . . 63.14 112.634 -177.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.5 -46.84 87.67 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.061 0.544 . . . . 54.3 111.001 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -92.81 1.6 57.2 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.049 0.94 . . . . 74.32 112.398 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 62.93 17.13 9.78 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.374 1.07 . . . . 71.52 112.9 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.34 177.16 8.62 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.34 1.056 . . . . 74.43 110.755 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -105.15 157.93 16.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.199 -0.667 . . . . 63.14 109.199 170.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.98 -29.12 64.98 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.867 0.467 . . . . 73.42 111.99 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -65.38 -53.41 43.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.264 0.625 . . . . 52.53 110.444 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -57.76 -48.86 78.43 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.888 0.875 . . . . 62.4 112.408 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.8 t -58.66 -46.23 90.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.745 . . . . 73.02 111.316 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -69.33 -34.87 75.29 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 122.728 0.411 . . . . 74.23 111.657 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.79 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.187 0.595 . . . . 72.21 110.189 173.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -57.78 -56.45 21.81 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.325 0.65 . . . . 71.43 110.619 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.22 -40.08 61.13 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.637 0.775 . . . . 73.53 111.955 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -50.61 71.06 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 124.01 0.924 . . . . 54.04 112.519 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -59.44 -50.01 75.58 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.575 0.75 . . . . 54.21 110.618 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.34 -33.61 72.66 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.587 -1.188 . . . . 71.15 112.296 -179.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.703 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 6.2 mmm180 -64.77 -47.37 78.42 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.432 0.693 . . . . 61.02 111.347 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.8 -26.87 67.16 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 115.917 -0.583 . . . . 75.44 111.259 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -89.7 -10.5 45.51 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.04 0.755 . . . . 73.33 113.04 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 55' ' ' ARG . 60.8 p -61.5 172.48 1.17 Allowed 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.719 0.771 . . . . 75.34 111.768 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -74.33 -0.5 17.32 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 115.61 -0.723 . . . . 72.02 111.719 175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -120.18 128.11 53.09 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.8 0.84 . . . . 75.25 110.578 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -90.75 156.72 17.86 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.462 0.705 . . . . 74.52 111.061 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.04 173.32 10.55 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.0 0.92 . . . . 73.3 111.342 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.6 -40.54 87.82 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 124.226 1.01 . . . . 73.35 112.548 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -76.68 138.87 40.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.426 0.291 . . . . 73.22 110.94 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.5 t -117.87 97.77 6.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.414 0.686 . . . . 73.23 110.503 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.29 72.73 10.68 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 121.452 0.644 . . . . 65.21 109.518 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.3 tp -174.04 155.6 2.54 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.823 1.249 . . . . 65.22 109.169 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.165 0 CA-C-O 120.97 0.206 . . . . 53.13 113.063 -179.428 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptt? . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 111.685 0.254 . . . . 74.45 111.685 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.18 74.94 0.65 Allowed Glycine 0 CA--C 1.541 1.68 0 N-CA-C 114.983 0.753 . . . . 71.23 114.983 -173.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -76.44 115.98 16.7 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.666 0.787 . . . . 72.32 110.278 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -69.59 119.72 14.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.257 0.623 . . . . 73.1 110.52 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -61.99 118.76 7.71 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.749 0.419 . . . . 65.3 111.582 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -69.52 109.32 4.2 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 109.436 -0.579 . . . . 71.33 109.436 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -66.99 92.79 0.25 Allowed 'General case' 0 CA--C 1.556 1.198 0 CA-C-O 121.809 0.814 . . . . 64.14 110.261 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -71.02 133.43 46.33 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.005 -0.998 . . . . 74.44 110.237 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.7 p -68.78 134.73 50.16 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.737 0.643 . . . . 72.42 112.737 -175.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -98.68 152.88 19.16 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.464 0.706 . . . . 74.23 110.238 168.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.505 ' SD ' ' N ' ' A' ' 11' ' ' MET . 0.6 OUTLIER -67.46 159.41 29.65 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.611 0.765 . . . . 70.24 112.597 175.462 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m -74.55 155.71 37.61 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.418 0.687 . . . . 74.52 110.926 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -57.41 -58.04 10.02 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.16 0.8 . . . . 62.52 113.16 -171.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 17' ' ' ILE . 27.9 m -62.57 -28.04 69.6 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.241 0.616 . . . . 73.02 111.692 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.02 -38.61 66.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.847 0.859 . . . . 74.11 111.707 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.63 -33.1 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.631 0.773 . . . . 73.23 110.386 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 77.3 mt -56.56 -51.27 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 123.08 0.552 . . . . 74.22 110.608 169.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.11 -43.0 99.79 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.785 0.834 . . . . 75.13 111.957 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 37' ' ' LEU . 28.8 mt -60.49 -36.85 79.3 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.259 1.024 . . . . 70.24 111.423 175.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.44 -29.64 47.13 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.187 0.595 . . . . 73.31 112.598 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 85.0 mtp180 -60.58 -32.51 71.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.271 0.558 . . . . 65.41 110.188 171.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.25 -44.25 19.99 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.964 0.905 . . . . 65.44 111.432 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -67.33 -31.76 72.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.156 0.982 . . . . 75.32 112.628 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m -69.8 -32.49 70.98 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.29 0.636 . . . . 41.41 112.173 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -80.28 -37.51 32.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.107 0.563 . . . . 75.12 111.386 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.481 ' NE2' HD23 ' A' ' 29' ' ' LEU . 20.6 pt20 -155.87 142.43 18.66 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.513 0.673 . . . . 75.23 111.867 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.85 -22.4 20.12 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.452 0.701 . . . . 70.25 111.85 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -122.62 114.74 21.02 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.416 0.687 . . . . 72.02 110.542 -174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' NE2' ' A' ' 26' ' ' GLN . 93.8 mt -92.17 146.7 23.51 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.581 0.752 . . . . 74.41 111.254 175.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.5 m -76.56 173.81 11.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.065 0.546 . . . . 72.44 109.999 170.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.25 94.99 Favored Pre-proline 0 CA--C 1.565 1.555 0 CA-C-O 118.499 -0.762 . . . . 74.22 112.58 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.49 -50.8 8.64 Favored 'Trans proline' 0 C--N 1.387 2.599 0 C-N-CA 121.667 1.578 . . . . 54.3 113.181 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.6 mp0 -64.78 -39.18 93.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.25 0.833 . . . . 75.0 113.25 -174.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.493 HH11 ' HB3' ' A' ' 45' ' ' GLU . 32.8 ttp85 -64.18 -39.83 94.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.187 0.595 . . . . 74.55 110.884 175.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.09 73.79 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 123.385 0.674 . . . . 71.31 112.341 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -66.79 -38.32 86.3 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.46 0.704 . . . . 73.23 110.427 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 19' ' ' LEU . 21.3 tp -74.12 -38.46 63.79 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.589 -0.732 . . . . 64.14 110.646 178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.59 -55.41 35.4 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.683 0.793 . . . . 52.45 112.29 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -61.36 -43.01 99.6 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 113.03 0.752 . . . . 74.23 113.03 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.21 -38.76 92.43 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 75.43 112.198 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -96.72 8.17 44.88 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.393 0.677 . . . . 74.22 112.75 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 56.76 24.48 9.12 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.127 0.971 . . . . 70.45 113.426 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -88.04 179.48 6.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.062 0.945 . . . . 72.42 110.494 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.0 p -106.89 161.69 14.48 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.911 -0.774 . . . . 71.33 108.911 168.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HB3' HH11 ' A' ' 34' ' ' ARG . 55.2 mt-10 -59.74 -34.41 72.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.773 0.429 . . . . 71.3 111.773 176.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 87.2 m -63.62 -46.08 87.38 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.044 0.537 . . . . 74.14 110.802 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.86 -43.11 94.06 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 112.676 0.621 . . . . 74.21 112.676 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.18 -43.5 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.592 0.357 . . . . 42.33 110.065 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -61.32 -40.42 94.12 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 122.879 0.472 . . . . 70.41 111.979 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' THR . 97.5 mt -61.16 -59.68 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.461 0.704 . . . . 73.14 110.608 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -51.44 -58.77 5.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.104 0.878 . . . . 74.13 110.023 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -55.17 -38.57 68.48 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.137 0.792 . . . . 73.21 113.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.59 -52.08 62.52 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 122.896 0.478 . . . . 73.25 111.69 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.639 0.376 . . . . 55.02 111.359 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -63.16 -34.09 76.87 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.184 0.594 . . . . 74.34 111.914 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -65.92 -38.62 89.16 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.804 0.442 . . . . 65.34 110.132 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -67.78 -27.67 66.95 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.603 0.761 . . . . 70.12 111.081 173.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -89.2 -13.0 39.28 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.178 0.807 . . . . 74.13 113.178 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 m -72.15 80.68 0.97 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 118.846 0.748 . . . . 64.32 112.337 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 48.11 30.46 2.13 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.265 1.426 . . . . 72.3 114.551 169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -72.28 169.96 15.13 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.981 0.513 . . . . 54.23 112.204 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -62.12 136.85 58.12 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.392 -0.822 . . . . 74.42 110.629 173.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -117.68 -170.29 1.84 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.549 0.739 . . . . 74.15 110.419 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 22.9 tp -68.78 -32.13 71.65 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.919 0.488 . . . . 71.34 111.209 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m 70.61 -55.31 0.63 Allowed 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 125.844 1.658 . . . . 71.24 111.993 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -88.78 67.3 8.28 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 109.037 -0.727 . . . . 62.55 109.037 165.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 64' ' ' LEU . 42.7 tt0 -106.62 132.94 52.03 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.88 0.872 . . . . 62.14 111.692 -173.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.4 tp -79.34 -41.58 27.58 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.54 0.736 . . . . 73.3 110.285 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.678 0 CA-C-N 115.829 -0.623 . . . . 74.34 113.616 176.556 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 110.382 -0.229 . . . . 64.54 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.94 -157.98 42.02 Favored Glycine 0 N--CA 1.478 1.444 0 N-CA-C 113.853 0.301 . . . . 54.14 113.853 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -102.96 155.6 18.25 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.393 0.677 . . . . 64.21 110.706 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -66.87 136.66 55.74 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.132 0.573 . . . . 55.33 111.171 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -77.35 133.15 38.81 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.771 0.32 . . . . 73.02 110.842 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -124.63 107.16 10.72 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.678 0.791 . . . . 71.45 111.157 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -76.02 132.38 40.11 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.438 0.295 . . . . 73.42 110.407 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -88.68 141.15 28.75 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.266 -0.272 . . . . 52.22 110.266 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -62.36 133.84 55.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.71 0.804 . . . . 73.42 111.152 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -79.42 179.91 7.17 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.191 0.52 . . . . 64.4 111.954 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 46.5 mtt -149.65 159.12 44.59 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.336 1.054 . . . . 64.35 109.632 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -88.41 161.21 17.19 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.952 -0.467 . . . . 71.45 110.938 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.7 -56.74 17.66 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 123.609 0.764 . . . . 75.13 112.869 -172.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -65.16 -32.61 74.38 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.639 0.376 . . . . 73.25 111.632 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.17 -46.82 88.39 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.18 0.592 . . . . 53.31 111.027 174.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.584 ' HA ' HD12 ' A' ' 19' ' ' LEU . 98.4 t -64.42 -30.41 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.161 0.584 . . . . 74.02 111.556 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.58 -48.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 CA-C-N 118.459 0.572 . . . . 73.35 110.454 173.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' ARG . 15.3 mm-40 -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.75 0.82 . . . . 75.45 111.901 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 16' ' ' VAL . 52.7 mt -62.74 -46.78 86.5 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.079 0.951 . . . . 65.25 111.142 171.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.86 -29.89 70.86 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 124.252 1.021 . . . . 72.34 112.172 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 80.3 mtp180 -59.38 -53.46 57.94 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.151 0.58 . . . . 73.14 110.673 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HG2' HD22 ' A' ' 37' ' ' LEU . 47.7 tptt -64.0 -37.06 86.03 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.625 -0.716 . . . . 73.53 111.543 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -66.01 -42.8 89.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.383 1.073 . . . . 74.15 111.217 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -61.85 -30.15 70.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.064 0.946 . . . . 75.13 112.628 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -79.46 -46.45 17.44 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.542 0.337 . . . . 64.45 111.644 172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -154.86 143.0 20.26 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.331 0.653 . . . . 62.31 111.548 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 30.4 mmtp -89.85 -17.25 28.44 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.513 0.931 . . . . 64.35 113.513 -172.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -133.06 127.29 33.72 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.641 0.777 . . . . 74.03 110.567 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HG3' ' A' ' 22' ' ' LYS . 53.2 mt -100.5 137.92 38.25 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.157 0.583 . . . . 73.43 111.109 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.5 m -77.77 174.16 11.29 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.687 -0.486 . . . . 72.2 109.687 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.85 79.44 Favored Pre-proline 0 CA--C 1.574 1.897 0 N-CA-C 114.208 1.188 . . . . 74.3 114.208 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.65 -49.68 6.74 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.825 1.683 . . . . 70.04 114.206 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.63 -33.28 68.8 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.438 0.695 . . . . 71.43 112.864 -173.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.06 -44.15 73.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.53 0.732 . . . . 74.21 110.673 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.52 80.68 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.101 -0.954 . . . . 62.43 111.533 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.72 -49.35 66.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.721 0.808 . . . . 64.54 111.204 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 22' ' ' LYS . 52.0 tp -64.8 -37.12 86.54 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.11 0.481 . . . . 70.44 110.656 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -51.3 64.99 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.424 -0.807 . . . . 73.02 112.953 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -62.77 -38.02 88.95 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 118.293 0.497 . . . . 74.52 112.062 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -56.13 -44.85 79.58 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.772 0.829 . . . . 54.54 111.713 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -104.0 10.21 36.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.435 0.694 . . . . 75.04 112.068 -175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 55.42 22.62 5.12 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.687 1.195 . . . . 75.14 113.456 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.94 178.27 7.0 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.079 0.952 . . . . 42.31 109.879 172.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -110.62 161.26 15.91 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.834 0.454 . . . . 75.55 110.027 172.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.22 -35.18 64.64 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.569 0.748 . . . . 74.52 112.498 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -62.89 -50.03 72.49 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.192 0.597 . . . . 72.44 111.458 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.3 -48.48 81.57 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.654 0.781 . . . . 71.11 111.861 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.46 -49.9 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.179 0.992 . . . . 70.03 112.265 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.58 -47.81 82.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.695 0.798 . . . . 71.22 111.866 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.5 mt -61.54 -38.75 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 115.499 -0.773 . . . . 74.13 111.056 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 83.9 t90 -58.12 -56.38 22.73 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.663 0.385 . . . . 74.11 110.569 176.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -51.67 -39.79 58.88 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.685 0.794 . . . . 61.12 112.623 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -63.19 -49.43 74.29 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.201 0.6 . . . . 73.43 111.502 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -64.36 -41.58 96.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.208 0.603 . . . . 71.13 111.969 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 59' ' ' THR . 17.5 mmm180 -62.35 -40.61 96.95 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 119.456 -0.307 . . . . 75.0 111.588 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 69.8 mtp85 -62.34 -39.76 94.16 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 123.484 0.49 . . . . 65.11 111.117 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 62' ' ' LYS . 84.8 t80 -63.16 -29.36 70.73 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.733 0.813 . . . . 64.0 111.214 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -86.55 -22.72 26.15 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.745 0.818 . . . . 62.43 112.374 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 55' ' ' ARG . 72.0 p -77.29 176.2 9.02 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 122.019 -0.426 . . . . 62.41 111.754 -178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -67.58 -33.15 74.43 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.019 0.527 . . . . 70.45 112.242 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -103.43 114.52 28.86 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.075 0.55 . . . . 64.22 109.767 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.55 ' HB2' ' HA ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -143.13 -177.95 5.6 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.024 0.93 . . . . 71.22 111.646 -172.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -67.86 170.08 8.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.738 0.815 . . . . 74.24 111.674 170.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 tp -62.05 -25.23 67.55 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.705 0.802 . . . . 65.43 112.909 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 t 66.13 35.77 5.99 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.308 1.043 . . . . 61.44 110.557 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.1 p -79.6 11.52 3.07 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.765 0.826 . . . . 54.12 112.759 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.72 90.06 2.3 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.59 0.756 . . . . 62.5 109.677 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -89.95 148.74 22.93 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.684 0.794 . . . . 71.34 112.288 -172.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.383 0 CA-C-O 121.361 0.423 . . . . 62.22 113.223 179.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 110.777 -0.082 . . . . 73.45 110.777 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.66 -41.12 0.39 Allowed Glycine 0 N--CA 1.474 1.216 0 O-C-N 122.987 0.179 . . . . 73.31 113.015 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -77.21 115.89 17.37 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.199 0.6 . . . . 73.12 111.708 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -97.2 177.95 5.4 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.63 0.772 . . . . 71.1 110.668 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -149.42 117.22 6.25 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.384 0.674 . . . . 73.04 110.35 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -78.8 135.36 37.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.808 0.443 . . . . 74.21 110.9 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -79.86 -63.48 1.4 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.198 0.599 . . . . 65.32 110.514 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -100.58 71.98 1.54 Allowed 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.299 0.571 . . . . 73.44 110.489 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 t -88.21 -41.95 12.62 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 115.732 -0.667 . . . . 54.21 110.7 175.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -67.95 124.71 24.11 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.875 0.87 . . . . 75.12 111.402 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.31 153.67 22.01 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.278 0.631 . . . . 72.15 111.243 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 t -63.53 145.56 55.42 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.023 0.529 . . . . 64.53 110.73 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -56.46 -43.73 79.83 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.513 0.725 . . . . 75.22 111.408 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -67.77 -35.65 79.08 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.648 0.779 . . . . 65.23 111.338 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.63 -43.03 95.03 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.42 1.088 . . . . 54.12 111.7 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 19' ' ' LEU . 91.2 t -58.67 -38.64 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.005 0.922 . . . . 63.24 111.447 175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 70.8 mt -55.19 -48.5 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.323 0.649 . . . . 73.53 111.324 178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.1 -41.86 99.47 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.384 0.674 . . . . 72.41 112.725 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD23 HD21 ' A' ' 37' ' ' LEU . 56.6 mt -57.11 -43.41 82.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.211 0.604 . . . . 73.31 110.969 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -67.92 -39.67 83.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.85 0.86 . . . . 73.3 112.245 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 43.1 mtp-105 -64.21 -37.67 88.29 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.828 0.451 . . . . 65.21 111.42 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG2' HD22 ' A' ' 37' ' ' LEU . 21.4 tptm -71.89 -44.1 64.3 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.059 -0.519 . . . . 71.14 110.36 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.62 -45.16 94.12 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.52 1.128 . . . . 73.05 112.7 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.5 p -66.65 -29.32 69.31 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.771 0.828 . . . . 71.23 112.054 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -88.81 -31.17 18.47 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.254 0.621 . . . . 65.25 111.602 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -148.32 122.61 9.62 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.055 0.931 . . . . 72.04 110.804 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 31.3 mmtp -82.72 -19.46 37.93 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.134 0.974 . . . . 74.12 112.807 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -118.07 132.58 56.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.994 0.918 . . . . 74.11 110.426 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 34' ' ' ARG . 96.1 mt -99.06 130.46 45.39 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.866 0.866 . . . . 71.12 110.139 170.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.7 m -77.52 167.35 21.79 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.047 -0.723 . . . . 71.23 109.047 168.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -53.0 -48.03 93.4 Favored Pre-proline 0 CA--C 1.57 1.749 0 N-CA-C 112.947 0.721 . . . . 75.34 112.947 -178.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 31.7 Cg_exo -63.23 -43.8 17.31 Favored 'Trans proline' 0 C--N 1.387 2.582 0 C-N-CA 121.599 1.533 . . . . 75.32 113.72 172.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -60.27 -44.7 95.09 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.986 0.914 . . . . 70.55 113.145 -175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH1' ' HD3' ' A' ' 49' ' ' LYS . 56.8 ttp180 -68.11 -37.23 80.91 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.815 -1.084 . . . . 75.23 110.86 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.04 90.14 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.675 0.79 . . . . 53.44 111.567 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -58.23 -51.08 71.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.4 0.68 . . . . 73.34 110.918 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 22' ' ' LYS . 56.0 tp -63.94 -41.42 97.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.513 0.325 . . . . 72.12 111.664 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.34 77.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.572 0.749 . . . . 75.31 112.087 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.25 -35.94 78.68 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.377 0.51 . . . . 74.52 112.377 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.21 -30.83 71.87 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.277 0.631 . . . . 73.34 112.085 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.77 5.34 28.55 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.405 0.682 . . . . 72.04 112.528 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 60.03 20.43 9.57 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.001 0.921 . . . . 73.04 113.16 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.7 177.53 6.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.64 1.176 . . . . 63.23 110.952 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -102.75 151.68 22.12 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.866 -0.79 . . . . 72.52 108.866 171.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 43.9 mt-10 -56.49 -27.26 56.7 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.088 0.555 . . . . 73.51 112.492 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.0 m -61.24 -59.17 5.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.466 0.706 . . . . 73.43 110.601 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -55.57 -46.64 77.17 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.988 0.915 . . . . 74.12 112.112 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.11 -45.84 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.826 0.85 . . . . 75.33 112.082 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HD3' ' NH1' ' A' ' 34' ' ' ARG . 3.5 ttpm? -66.49 -40.79 89.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.448 0.299 . . . . 64.14 111.221 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.66 -41.31 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.45 0.7 . . . . 74.42 110.909 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -57.64 -57.32 13.21 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.355 0.662 . . . . 71.41 110.455 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 6.6 m-85 -52.61 -48.69 66.14 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.707 0.803 . . . . 74.21 111.828 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.93 -43.46 86.31 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.771 1.228 . . . . 73.34 112.384 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -64.55 -49.18 72.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.775 0.83 . . . . 75.11 111.644 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -35.43 75.65 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 112.639 0.607 . . . . 71.43 112.639 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' NH1' ' HB3' ' A' ' 27' ' ' LYS . 36.2 mtp85 -67.23 -42.45 84.01 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.015 0.436 . . . . 75.4 110.717 175.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.03 -24.97 62.46 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.353 -0.84 . . . . 72.41 111.375 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -87.3 -22.3 25.22 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.043 0.757 . . . . 63.42 113.043 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 t -96.32 140.15 31.41 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 118.099 0.409 . . . . 73.43 110.173 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -67.6 -23.73 65.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.193 0.597 . . . . 61.43 111.013 173.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -71.26 85.73 0.79 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.515 0.726 . . . . 74.24 111.2 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -91.14 155.12 18.86 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.087 -0.961 . . . . 72.13 111.116 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -103.76 19.25 20.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.018 0.527 . . . . 74.54 111.677 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 tp -124.54 -52.2 1.71 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.271 0.628 . . . . 74.01 110.223 175.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.4 t -146.92 102.9 3.57 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.556 0.743 . . . . 73.11 110.399 174.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 t -129.83 -169.62 2.15 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.162 0.585 . . . . 73.43 110.895 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 60.97 34.62 19.34 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.491 1.117 . . . . 73.35 111.078 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.0 mt -75.08 139.16 42.61 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.286 -0.87 . . . . 75.42 110.646 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 114.988 0.755 . . . . 61.5 114.988 -173.216 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.512 0.196 . . . . 54.42 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.9 96.81 0.33 Allowed Glycine 0 C--N 1.35 1.35 0 CA-C-N 116.359 -0.382 . . . . 50.44 112.518 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -72.32 88.36 1.17 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.099 0.56 . . . . 75.52 111.302 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -95.26 115.32 27.27 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.382 0.611 . . . . 61.3 111.387 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -129.46 111.47 12.81 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.111 0.965 . . . . 72.24 109.771 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.502 ' HB3' HD21 ' A' ' 54' ' ' ASN . 35.0 m170 -81.11 117.33 21.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 109.323 -0.621 . . . . 52.11 109.323 171.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -69.86 115.16 8.76 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.619 0.368 . . . . 70.14 111.319 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -69.01 92.98 0.54 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.296 0.638 . . . . 73.34 110.71 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 t -69.83 106.23 3.06 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.601 -0.727 . . . . 75.34 110.305 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -63.45 130.67 45.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.045 0.538 . . . . 74.21 110.352 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.4 mtt -146.12 153.71 40.99 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.775 0.83 . . . . 73.51 109.926 -168.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 t -84.7 154.62 22.35 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 109.338 -0.616 . . . . 72.34 109.338 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 17' ' ' ILE . 67.2 t60 -58.51 -42.73 88.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.666 0.387 . . . . 74.43 111.897 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 69.0 m -61.67 -40.36 94.67 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.357 0.663 . . . . 74.13 111.112 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' A' ' 41' ' ' LEU . 63.6 tt0 -64.88 -42.2 95.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.184 0.994 . . . . 73.22 111.478 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' LEU . 58.2 t -62.09 -38.87 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 123.131 0.572 . . . . 72.54 110.69 174.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 76.6 mt -58.78 -46.93 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.899 0.48 . . . . 74.14 111.017 173.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 14' ' ' THR . 18.3 mm-40 -59.79 -43.37 94.46 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.588 0.755 . . . . 74.3 111.573 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 37' ' ' LEU . 30.4 mt -61.33 -38.05 85.51 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.928 0.891 . . . . 71.11 111.369 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.65 -30.82 63.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.654 0.782 . . . . 53.41 112.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 90.4 mtt-85 -61.09 -42.07 97.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.117 0.567 . . . . 70.42 109.607 172.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HD22 ' A' ' 37' ' ' LEU . 10.7 tppt? -68.94 -42.68 76.4 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.283 -0.871 . . . . 71.24 111.411 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.91 -32.86 69.92 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.672 1.189 . . . . 74.14 111.144 178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.3 m -63.02 -35.67 80.99 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.552 0.741 . . . . 72.15 112.382 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -78.31 -47.56 17.51 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 118.256 0.48 . . . . 73.21 111.195 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -156.66 146.13 20.63 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.649 0.738 . . . . 51.3 111.84 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 56' ' ' ARG . 66.4 mmtt -83.18 -21.02 33.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.255 1.022 . . . . 60.42 113.468 -170.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -140.04 128.21 22.41 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.743 0.817 . . . . 72.31 109.336 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD11 ' HG2' ' A' ' 22' ' ' LYS . 95.6 mt -86.1 157.78 19.96 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.14 0.793 . . . . 72.33 113.14 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 61.0 m -79.26 161.17 26.5 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.961 -1.018 . . . . 70.34 109.844 170.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.91 -44.37 96.37 Favored Pre-proline 0 CA--C 1.573 1.834 0 N-CA-C 113.946 1.091 . . . . 53.3 113.946 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.5 -56.15 1.7 Allowed 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 122.154 1.903 . . . . 74.31 114.19 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -73.45 -19.71 60.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.581 0.956 . . . . 71.42 113.581 -172.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -74.58 -42.54 58.54 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.649 0.78 . . . . 74.13 109.735 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.56 74.73 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.354 1.062 . . . . 74.12 111.36 173.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 6.2 t60 -62.14 -49.17 76.95 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.914 1.285 . . . . 63.3 110.734 176.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 22' ' ' LYS . 47.8 tp -71.39 -35.21 70.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.596 0.359 . . . . 73.01 110.994 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -54.42 46.57 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.699 0.799 . . . . 54.12 112.4 178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 36' ' ' HIS . 63.4 pttt -61.67 -36.45 80.88 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.131 0.573 . . . . 62.44 112.469 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.99 -40.49 95.04 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.455 0.702 . . . . 42.52 111.739 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HB3' HE21 ' A' ' 15' ' ' GLN . 94.0 mt -101.66 8.03 41.82 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.309 0.644 . . . . 74.43 111.907 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 23.27 9.29 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.681 1.192 . . . . 74.32 113.799 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.25 175.76 8.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.446 1.098 . . . . 75.43 110.768 172.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -110.06 166.8 10.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.565 0.746 . . . . 62.4 109.226 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.02 -19.34 64.27 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.006 0.372 . . . . 72.25 112.006 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.0 m -70.24 -54.28 13.43 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.447 0.699 . . . . 64.13 110.063 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.96 -47.13 87.84 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.976 0.91 . . . . 65.5 112.329 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.94 -50.55 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.176 0 C-N-CA 123.566 0.746 . . . . 75.41 110.966 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.64 -46.08 87.9 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.205 0.602 . . . . 75.31 112.517 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.37 -40.13 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.105 0.562 . . . . 61.34 110.836 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -59.95 -54.39 46.65 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.167 0.44 . . . . 72.32 110.946 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 46.7 m-85 -61.02 -32.83 72.42 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 112.909 0.707 . . . . 73.33 112.909 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.83 -58.39 4.66 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.22 1.008 . . . . 72.41 111.837 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.502 HD21 ' HB3' ' A' ' 6' ' ' HIS . 7.4 m-20 -62.96 -41.52 99.55 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.295 1.038 . . . . 73.24 112.057 -177.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -53.83 -44.24 70.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.99 0.916 . . . . 63.21 111.838 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 41.3 mtp180 -63.92 -38.12 89.91 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 123.684 0.615 . . . . 73.01 111.449 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -66.44 -27.49 67.86 Favored 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 123.58 0.752 . . . . 73.53 111.891 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 54' ' ' ASN . 29.0 mmtp -79.7 -33.02 41.36 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.942 0.497 . . . . 74.44 111.493 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.7 t -109.05 -176.26 2.99 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.125 0.57 . . . . 64.21 110.607 -173.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -58.7 136.71 57.77 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.489 0.716 . . . . 74.01 111.43 171.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -143.57 89.99 2.12 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.984 0.514 . . . . 64.21 111.518 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -64.19 -37.03 85.99 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.75 0.82 . . . . 71.01 110.977 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -79.89 164.04 23.86 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.007 0.923 . . . . 72.25 109.986 170.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.4 61.09 5.98 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.278 1.037 . . . . 75.42 111.161 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -84.75 102.31 12.92 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.832 1.253 . . . . 63.44 112.167 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.0 m 54.46 42.09 31.57 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.842 0.857 . . . . 61.21 110.803 -172.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.05 142.93 57.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.948 0.899 . . . . 75.24 111.708 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.28 127.72 33.7 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.497 0.719 . . . . 75.05 111.626 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.904 0 CA-C-N 115.778 -0.646 . . . . 74.45 112.833 -179.071 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 110.108 -0.33 . . . . 61.35 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.89 87.2 0.06 OUTLIER Glycine 0 CA--C 1.544 1.878 0 N-CA-C 114.668 0.627 . . . . 62.21 114.668 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -135.23 -71.15 0.48 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.203 1.001 . . . . 75.41 110.105 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 58.85 19.21 6.78 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.671 1.188 . . . . 74.21 112.268 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -73.91 110.34 8.12 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.228 0.537 . . . . 73.3 111.636 -173.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -109.74 177.11 4.83 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.163 0.985 . . . . 62.01 110.015 170.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -75.47 129.15 36.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.78 0.432 . . . . 72.03 111.085 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -63.69 -29.24 70.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.865 0.866 . . . . 73.14 111.72 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -76.24 73.97 3.05 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.235 0.614 . . . . 61.12 111.005 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -154.01 174.7 14.32 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 125.371 1.468 . . . . 73.21 110.043 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.2 mtt -76.31 130.22 37.8 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.772 0.429 . . . . 73.1 111.082 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -98.85 166.04 11.49 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.705 0.802 . . . . 51.4 110.748 -174.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -48.33 -51.89 24.09 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 124.333 1.053 . . . . 65.24 113.569 -172.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.4 m -62.51 -41.25 98.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.685 0.794 . . . . 64.15 111.428 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HG3' HD22 ' A' ' 41' ' ' LEU . 32.5 tt0 -66.23 -40.6 90.39 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.14 0.976 . . . . 71.2 111.635 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.66 -37.75 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.982 0.913 . . . . 75.15 110.947 175.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.35 -40.83 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 122.642 0.377 . . . . 54.02 111.099 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.89 -40.72 91.8 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.857 0.463 . . . . 60.13 111.78 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.72 -44.66 96.34 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.847 0.859 . . . . 73.05 110.92 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -63.84 -37.2 86.51 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.105 0.962 . . . . 74.41 111.751 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -59.89 -50.58 73.23 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.527 0.731 . . . . 75.31 110.239 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HG3' HD21 ' A' ' 29' ' ' LEU . 52.0 tptt -66.7 -37.14 84.11 Favored 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 123.377 0.671 . . . . 74.41 111.515 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -66.89 -40.96 87.91 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.768 1.227 . . . . 72.14 112.525 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -70.32 -25.04 63.12 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.518 0.727 . . . . 62.24 112.231 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -82.07 -50.65 8.84 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.93 0.395 . . . . 72.13 111.123 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -140.76 133.17 28.39 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.615 0.766 . . . . 63.14 110.769 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 56' ' ' ARG . 45.3 mmtm -78.46 -19.04 53.96 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.113 0.965 . . . . 53.13 113.421 -173.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.45 123.6 20.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.875 0.87 . . . . 75.04 109.928 -177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 22' ' ' LYS . 21.6 mt -93.0 135.13 34.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.314 0.487 . . . . 73.52 112.314 -177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -75.03 166.67 23.3 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.403 -0.591 . . . . 75.22 109.403 167.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.68 -44.99 78.74 Favored Pre-proline 0 CA--C 1.573 1.844 0 N-CA-C 114.683 1.364 . . . . 63.14 114.683 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -62.64 -43.11 22.7 Favored 'Trans proline' 0 C--N 1.39 2.712 0 C-N-CA 121.885 1.724 . . . . 75.04 113.421 174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -69.18 -38.07 78.5 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.613 0.765 . . . . 65.33 111.4 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -71.73 -43.38 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.048 1.339 . . . . 73.42 110.706 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.23 91.13 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.916 0.886 . . . . 52.13 111.811 175.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.7 -50.88 70.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.936 0.895 . . . . 71.31 111.051 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 22' ' ' LYS . 26.3 tp -68.65 -35.23 76.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.451 0.301 . . . . 63.44 110.753 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.94 -59.3 5.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.498 0.719 . . . . 51.43 111.741 177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -63.93 -37.37 87.16 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.858 0.688 . . . . 72.33 112.858 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.63 -32.28 73.76 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.455 0.702 . . . . 71.02 111.945 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 15' ' ' GLN . 93.2 mt -99.64 3.01 45.02 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.531 0.732 . . . . 74.31 111.851 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 57.99 20.43 6.78 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 124.348 1.059 . . . . 75.42 112.938 -177.427 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -88.06 179.97 6.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.976 1.31 . . . . 62.04 109.882 171.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 p -108.19 161.58 14.85 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.896 0.478 . . . . 74.32 110.285 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.9 -32.88 68.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.072 0.549 . . . . 74.4 112.12 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 m -70.53 -41.52 72.42 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.874 0.47 . . . . 74.01 110.961 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.08 -47.59 83.97 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.22 0.608 . . . . 73.23 112.005 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.11 -39.46 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 C-N-CA 123.776 0.83 . . . . 44.03 111.417 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -58.98 -51.54 69.63 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.207 0.603 . . . . 73.12 111.373 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.83 -37.27 79.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.025 0.93 . . . . 55.14 111.529 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.98 -55.87 27.83 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.732 0.413 . . . . 73.44 110.437 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 56' ' ' ARG . 14.2 m-85 -55.39 -44.76 76.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.496 0.719 . . . . 74.11 111.991 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -55.82 -50.74 69.7 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.596 1.158 . . . . 71.34 112.033 176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.59 -43.2 81.08 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.908 0.883 . . . . 75.31 111.856 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.528 HH21 ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.31 -29.88 71.12 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 122.809 0.444 . . . . 74.33 111.693 175.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.606 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 23.8 mmm180 -67.99 -26.18 65.78 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.595 0.634 . . . . 74.43 111.979 171.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -85.28 -28.97 24.96 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.129 0.972 . . . . 62.12 110.833 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HG3' HH21 ' A' ' 55' ' ' ARG . 0.0 OUTLIER -89.45 -27.51 20.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.206 1.002 . . . . 64.33 113.202 -177.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 p -76.45 -170.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 122.95 0.5 . . . . 71.45 111.392 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -54.08 97.72 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.491 0.716 . . . . 72.44 111.299 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -74.64 -30.82 61.77 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.238 -0.892 . . . . 64.43 111.65 -172.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -64.59 119.94 11.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.119 0.568 . . . . 74.23 111.347 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.24 -42.59 83.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.953 0.901 . . . . 73.01 112.073 -176.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.47 -28.75 68.58 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.107 0.963 . . . . 75.22 112.114 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -79.74 72.67 6.45 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.625 0.77 . . . . 71.02 111.885 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 t 60.48 104.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.205 1.402 . . . . 55.34 114.07 173.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.89 140.89 20.26 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.165 0.586 . . . . 70.01 110.373 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 68' ' ' LEU . 2.3 pt? -59.65 125.36 23.33 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.308 1.043 . . . . 62.42 112.764 -177.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.312 0 CA-C-O 121.774 0.652 . . . . 75.44 112.702 179.436 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.383 0.135 . . . . 53.22 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.65 130.53 1.16 Allowed Glycine 0 C--N 1.347 1.16 0 CA-C-N 116.408 -0.36 . . . . 74.25 113.46 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -165.63 129.13 2.2 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.305 1.042 . . . . 70.22 110.54 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -132.59 90.44 2.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.097 0.559 . . . . 73.54 109.732 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -123.96 129.2 50.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.769 0.828 . . . . 72.3 109.832 174.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -141.99 134.93 28.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.748 0.419 . . . . 64.42 110.201 173.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.08 167.81 18.48 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.882 0.873 . . . . 71.13 112.427 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.3 127.27 22.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.997 0.919 . . . . 73.3 109.441 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -70.21 83.79 0.54 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 122.883 0.473 . . . . 74.03 110.105 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -78.26 163.79 25.44 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.312 0.645 . . . . 74.42 111.857 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.497 ' SD ' HD11 ' A' ' 19' ' ' LEU . 52.1 mtt -73.69 165.52 24.94 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.718 0.807 . . . . 51.44 112.123 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 24.3 t -81.76 156.68 24.84 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.416 0.686 . . . . 74.35 110.22 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -60.97 -43.06 99.35 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.223 0.609 . . . . 72.22 111.038 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.4 m -64.69 -37.47 87.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.583 0.753 . . . . 74.22 110.664 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -67.2 -38.05 84.68 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.306 1.042 . . . . 74.3 112.023 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 96.1 t -66.35 -36.61 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 122.817 0.447 . . . . 64.54 110.599 173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 89.9 mt -59.08 -45.0 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 122.824 0.45 . . . . 62.44 110.441 173.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.53 -48.68 80.06 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.123 0.969 . . . . 75.3 111.817 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' SD ' ' A' ' 11' ' ' MET . 37.6 mt -56.49 -40.69 75.36 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 123.907 0.883 . . . . 65.43 111.541 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 23' ' ' PHE . 50.0 mt-10 -73.19 -27.81 61.85 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.032 0.933 . . . . 74.23 112.082 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 99.7 mtt180 -64.13 -33.89 76.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.132 0.573 . . . . 70.32 110.493 173.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.77 -38.62 32.75 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 123.536 0.734 . . . . 72.11 111.104 173.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 48.8 t80 -63.8 -32.72 74.32 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.87 1.268 . . . . 74.33 111.475 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.9 m -57.09 -36.17 70.29 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.5 1.12 . . . . 65.51 112.445 174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -82.49 -45.14 15.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.906 0.482 . . . . 73.23 111.478 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.64 135.71 18.87 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.319 0.58 . . . . 71.2 111.487 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -74.08 -18.91 60.76 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.644 0.979 . . . . 74.1 113.644 -174.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -152.1 158.61 43.22 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.297 1.039 . . . . 64.05 109.563 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 19.6 mt -110.77 156.69 20.71 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.384 0.512 . . . . 63.15 112.384 -171.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.5 m -82.37 168.76 17.2 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.886 -0.783 . . . . 54.33 108.886 165.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.62 99.06 Favored Pre-proline 0 CA--C 1.573 1.83 0 N-CA-C 113.99 1.107 . . . . 62.12 113.99 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.02 -50.73 10.56 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 122.411 2.074 . . . . 71.41 113.748 171.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 29' ' ' LEU . 11.1 mm-40 -65.05 -35.24 80.55 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.383 0.673 . . . . 65.13 111.915 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.45 -46.71 69.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.281 1.032 . . . . 75.14 111.044 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.46 89.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.893 0.877 . . . . 41.01 111.782 175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -62.38 -44.75 95.73 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.048 0.939 . . . . 74.35 111.381 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD21 HD23 ' A' ' 19' ' ' LEU . 32.5 tp -69.16 -42.17 76.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.82 0.448 . . . . 73.3 110.834 178.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.73 66.79 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.671 0.788 . . . . 53.12 112.449 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -64.64 -33.26 75.53 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.24 0.459 . . . . 74.24 112.24 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.58 -44.09 83.15 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.029 0.532 . . . . 52.24 111.725 175.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.4 mt -98.21 9.13 43.68 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.081 0.552 . . . . 62.01 112.209 -174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 60.45 24.75 14.34 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.112 0.965 . . . . 54.12 112.935 179.248 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.96 178.31 5.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.556 1.142 . . . . 62.52 110.773 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.8 p -107.58 166.15 10.89 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.07 -0.715 . . . . 73.01 109.07 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.61 -27.63 69.34 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.771 0.428 . . . . 62.03 111.691 175.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.8 m -63.84 -55.73 20.68 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.336 0.654 . . . . 72.31 110.08 172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.52 -46.36 83.91 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.42 1.088 . . . . 74.32 113.179 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.0 t -60.29 -49.31 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.423 0.689 . . . . 65.21 111.37 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.69 -40.42 87.8 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.291 0.636 . . . . 74.1 111.66 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.02 -51.23 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.682 0.793 . . . . 72.34 111.13 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -60.82 -52.93 62.97 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.264 -0.398 . . . . 64.05 111.087 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -58.39 -33.54 69.74 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.801 0.667 . . . . 73.32 112.801 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.98 -60.13 2.58 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 122.485 0.314 . . . . 70.34 111.271 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 38.6 m-80 -63.18 -33.02 74.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.159 0.8 . . . . 74.15 113.159 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.36 -39.85 94.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.149 0.58 . . . . 75.14 112.406 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -63.35 -30.48 71.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.466 0.706 . . . . 73.33 111.205 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 91.2 t80 -77.4 -27.84 52.52 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 123.924 0.89 . . . . 65.53 111.582 173.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 54' ' ' ASN . 75.1 mmtt -79.75 -25.06 41.17 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.659 0.783 . . . . 61.04 111.699 177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.0 p -85.61 174.89 9.1 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.419 0.688 . . . . 62.23 109.614 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -79.92 26.94 0.32 Allowed 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 121.709 0.766 . . . . 62.23 112.321 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -97.92 -47.13 5.66 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.287 -0.883 . . . . 72.4 111.017 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 23.1 tptm -128.32 100.24 5.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.072 -0.714 . . . . 73.03 109.072 174.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -109.72 170.64 7.93 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.981 0.512 . . . . 72.23 110.96 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.7 tp -128.14 72.91 1.44 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.631 0.729 . . . . 73.41 109.96 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 t -84.27 80.24 9.27 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.676 -0.693 . . . . 60.41 111.108 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -102.35 133.66 46.92 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.674 0.79 . . . . 64.1 110.839 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -81.22 93.3 6.47 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.796 -0.446 . . . . 73.12 109.796 175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 tp -170.63 134.35 1.07 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.615 0.766 . . . . 71.14 110.369 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.246 0 CA-C-O 121.339 0.411 . . . . 44.35 113.24 179.155 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 110.002 -0.37 . . . . 51.11 110.002 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.09 62.69 4.6 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 113.798 0.279 . . . . 65.53 113.798 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -167.5 170.83 10.92 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.431 1.092 . . . . 73.02 110.229 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -154.66 177.99 10.61 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.594 0.757 . . . . 70.42 111.769 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -75.22 139.48 42.63 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.47 0.708 . . . . 74.42 110.709 176.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -73.08 106.64 5.03 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 121.104 0.478 . . . . 72.42 110.622 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -75.03 88.27 2.38 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 121.539 0.685 . . . . 72.25 110.493 178.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -69.25 79.49 0.36 Allowed 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 114.767 -1.106 . . . . 70.01 110.751 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -174.99 -44.71 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.169 0.987 . . . . 45.3 109.206 -172.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -103.09 -170.45 1.79 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.143 -0.935 . . . . 74.03 110.679 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.5 mpt? -65.08 156.82 30.27 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 123.449 0.7 . . . . 52.21 111.896 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' VAL . 35.8 t -92.3 160.45 15.13 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 118.714 -0.66 . . . . 74.32 109.762 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -48.78 -58.36 4.92 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.973 1.101 . . . . 75.34 113.973 -169.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 32.9 m -61.83 -41.37 97.71 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.879 0.471 . . . . 72.05 110.91 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.1 -45.07 94.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.412 1.085 . . . . 74.21 111.952 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 12' ' ' SER . 95.8 t -58.17 -41.19 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.034 0.934 . . . . 73.11 110.7 174.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 71.2 mt -62.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 123.193 0.597 . . . . 41.44 111.217 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 14' ' ' THR . 6.8 mm-40 -62.6 -41.91 99.26 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.449 0.642 . . . . 75.31 110.704 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.88 -36.26 83.8 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 114.778 -1.101 . . . . 61.3 110.983 173.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.99 -33.98 75.67 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.915 0.886 . . . . 64.13 112.886 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' ILE . 66.8 mtt-85 -57.02 -52.77 63.93 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 121.558 0.694 . . . . 62.33 109.852 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' HD22 ' A' ' 37' ' ' LEU . 53.3 tptt -64.14 -40.07 95.37 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 114.249 -1.342 . . . . 64.5 111.324 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -66.02 -39.36 90.16 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.467 1.107 . . . . 74.54 111.846 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -63.51 -32.66 74.17 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.196 0.999 . . . . 65.03 112.096 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -79.56 -47.26 15.82 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.177 0.513 . . . . 74.21 111.086 176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -148.44 136.62 21.11 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.73 0.812 . . . . 73.51 111.482 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -79.9 -45.25 18.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.956 0.902 . . . . 74.44 110.728 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -92.87 132.18 37.24 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.183 0.993 . . . . 53.11 110.559 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.8 mt -107.23 143.82 34.9 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.862 0.465 . . . . 53.32 111.49 175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.3 m -79.34 159.86 26.99 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.257 -0.646 . . . . 72.52 109.257 168.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.98 -46.63 99.74 Favored Pre-proline 0 CA--C 1.576 1.957 0 N-CA-C 113.62 0.97 . . . . 71.21 113.62 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.84 -46.76 12.62 Favored 'Trans proline' 0 C--N 1.392 2.837 0 C-N-CA 122.012 1.808 . . . . 73.14 113.179 174.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.68 -45.38 85.7 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.254 0.622 . . . . 74.11 112.124 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -68.3 -38.05 81.24 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.361 -0.836 . . . . 62.35 111.809 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.8 87.43 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.495 0.718 . . . . 60.31 111.657 176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -64.86 -43.28 93.51 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.13 0.572 . . . . 71.13 111.466 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 22' ' ' LYS . 37.3 tp -64.41 -36.7 85.0 Favored 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 123.256 0.622 . . . . 74.44 111.256 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.55 -52.38 46.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.153 0.981 . . . . 64.42 111.514 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.96 -30.6 71.19 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.435 0.532 . . . . 71.55 112.435 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.01 -29.83 70.96 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 122.865 0.466 . . . . 55.13 112.118 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD21 ' HG3' ' A' ' 18' ' ' GLU . 87.8 mt -111.52 12.98 21.37 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.967 0.729 . . . . 64.41 112.967 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 59.44 14.43 3.81 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 113.338 0.866 . . . . 55.4 113.338 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.32 177.5 7.8 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.934 0.894 . . . . 53.01 111.068 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -107.14 162.33 13.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.139 0.576 . . . . 53.42 109.529 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.48 -26.67 65.45 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.156 0.583 . . . . 74.15 111.192 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.2 m -72.76 -47.36 47.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.108 0.563 . . . . 75.51 110.958 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.64 -44.54 93.47 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.228 0.611 . . . . 74.2 111.466 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.45 -41.89 92.09 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.423 0 C-N-CA 123.206 0.603 . . . . 64.32 111.222 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -44.17 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.242 0.617 . . . . 63.15 111.198 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.99 -48.24 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.716 0.806 . . . . 61.43 110.612 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -54.06 -57.95 9.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.55 0.74 . . . . 75.23 110.044 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -59.0 -33.97 71.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.723 0.809 . . . . 74.41 112.895 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.16 -49.26 52.31 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.244 0.475 . . . . 72.53 111.949 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -60.52 -39.43 87.8 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.043 0.537 . . . . 74.12 111.869 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.572 ' NH2' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -67.87 -36.1 79.69 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.095 0.558 . . . . 63.25 112.001 177.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -70.56 -31.06 67.95 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 120.836 0.351 . . . . 74.4 110.334 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -75.28 -26.44 58.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.349 0.66 . . . . 73.35 110.779 173.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HD2' ' NH2' ' A' ' 55' ' ' ARG . 35.2 mttp -91.66 -4.88 54.67 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.459 0.911 . . . . 71.45 113.459 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -62.06 161.35 11.0 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 118.603 0.638 . . . . 73.35 110.607 169.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -51.34 123.23 9.22 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.361 0.665 . . . . 60.4 112.425 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB2' ' NE2' ' A' ' 63' ' ' GLN . 60.5 mtp180 -129.59 151.48 50.16 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.821 0.848 . . . . 73.0 111.249 -176.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.32 93.98 1.56 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.615 0.766 . . . . 72.15 109.442 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 61' ' ' ARG . 25.2 pt20 -156.19 -172.71 4.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.18 0.992 . . . . 74.52 109.893 -177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -75.06 -59.95 2.51 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 109.268 -0.642 . . . . 72.15 109.268 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.9 m -113.89 101.8 9.6 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.771 0.828 . . . . 63.11 110.329 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -75.05 86.78 2.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.243 0.544 . . . . 62.45 110.711 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.79 113.56 11.08 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.262 -0.881 . . . . 63.04 111.683 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -73.62 171.6 12.94 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.687 0.795 . . . . 54.01 113.14 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.659 0 N-CA-C 114.217 0.447 . . . . 70.14 114.217 -177.61 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 110.024 -0.361 . . . . 73.34 110.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.78 66.46 3.58 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-N 116.554 -0.294 . . . . 73.14 113.524 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -115.79 65.01 0.69 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.733 0.813 . . . . 64.41 110.024 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -142.57 94.89 2.7 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.871 0.868 . . . . 52.24 110.182 -177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -78.24 -58.49 3.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 115.977 -0.556 . . . . 74.44 111.731 -172.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 62.58 88.91 0.09 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.405 1.082 . . . . 73.11 111.041 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -60.8 119.64 8.58 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.991 0.738 . . . . 65.42 112.991 -174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -149.5 2.86 0.55 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.119 0.967 . . . . 74.35 111.344 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -60.55 96.96 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.257 0.623 . . . . 74.13 111.186 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.01 -23.25 67.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.117 0.967 . . . . 74.43 111.496 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.411 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.7 mpt? -64.29 147.75 51.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.435 1.094 . . . . 63.44 112.276 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.2 t -82.96 166.05 19.18 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.616 0.767 . . . . 73.32 110.352 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -52.84 -57.75 9.19 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 123.809 0.844 . . . . 71.22 112.524 -176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -63.4 -35.66 81.13 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.813 0.845 . . . . 52.41 111.552 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.29 -38.33 87.5 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.414 1.085 . . . . 52.13 111.81 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' SER . 91.5 t -62.89 -43.14 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.269 0.627 . . . . 52.23 110.571 171.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.46 -42.09 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 C-N-CA 123.448 0.699 . . . . 72.32 111.221 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -63.67 -43.43 96.74 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.668 0.787 . . . . 52.24 111.983 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 37' ' ' LEU . 47.8 mt -63.52 -35.15 79.51 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 123.347 0.659 . . . . 72.03 111.218 173.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.84 -37.65 76.25 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.929 0.891 . . . . 63.11 111.804 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -60.32 -42.43 95.6 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.543 0.737 . . . . 71.33 111.032 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.554 ' HG2' HD22 ' A' ' 37' ' ' LEU . 51.1 tptt -73.66 -41.35 62.83 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.612 -0.722 . . . . 71.04 111.181 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.91 -38.75 92.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.655 0.782 . . . . 73.42 111.852 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -60.21 -24.97 65.25 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.62 0.768 . . . . 72.25 112.167 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -91.1 -40.25 11.71 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.014 0.526 . . . . 74.1 111.431 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -149.24 135.84 19.45 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 112.993 0.738 . . . . 72.14 112.993 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.77 -41.15 62.83 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.249 1.02 . . . . 51.11 111.668 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -113.82 138.39 50.34 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.231 1.012 . . . . 71.22 109.56 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.0 mt -99.14 146.31 26.27 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.986 0.514 . . . . 73.11 111.718 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -71.66 161.51 30.88 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.486 -0.561 . . . . 52.13 109.486 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -45.06 99.54 Favored Pre-proline 0 CA--C 1.565 1.54 0 CA-C-O 118.495 -0.764 . . . . 74.34 112.918 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.52 -50.69 6.36 Favored 'Trans proline' 0 C--N 1.391 2.802 0 C-N-CA 121.519 1.479 . . . . 43.13 113.016 169.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.16 -33.72 76.44 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.428 0.899 . . . . 73.32 113.428 -172.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -74.49 -42.11 59.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.904 0.482 . . . . 71.04 110.888 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -40.27 89.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.78 0.832 . . . . 71.44 111.816 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.88 -48.53 65.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.489 0.716 . . . . 74.14 110.808 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' HG2' ' A' ' 22' ' ' LYS . 54.6 tp -62.45 -36.16 81.55 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.071 0.548 . . . . 75.43 110.962 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.59 72.38 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.54 -0.754 . . . . 74.3 111.341 174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.21 -27.2 61.48 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.806 0.669 . . . . 74.44 112.806 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.77 -35.01 78.45 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.369 0.668 . . . . 54.24 111.157 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.7 mt -110.52 5.89 21.59 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.822 0.849 . . . . 73.02 112.258 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 56.81 25.78 10.74 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.243 1.017 . . . . 65.43 112.857 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.59 176.5 6.52 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.952 1.301 . . . . 73.51 111.167 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -101.4 147.74 25.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.173 0.589 . . . . 71.14 109.509 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.94 -29.29 59.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.649 0.78 . . . . 70.24 112.347 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 -56.1 18.71 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.547 0.739 . . . . 72.5 110.788 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.83 -39.07 90.52 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.579 0.585 . . . . 61.41 112.579 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.13 -44.92 99.63 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 C-N-CA 123.103 0.561 . . . . 52.45 110.783 176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -62.43 -39.81 94.55 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.787 0.835 . . . . 60.3 111.923 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 85.8 mt -68.15 -42.01 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.854 0.862 . . . . 73.23 111.354 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -59.59 -54.65 44.01 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 109.461 -0.57 . . . . 74.02 109.461 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 12.7 m-85 -56.76 -32.15 65.31 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.786 0.835 . . . . 74.32 112.218 174.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 42.3 tt0 -60.25 -54.67 43.06 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.579 0.752 . . . . 51.11 111.752 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -62.45 -40.02 95.25 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.003 -0.544 . . . . 71.14 112.072 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.78 -28.97 66.19 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 112.597 0.592 . . . . 45.02 112.597 177.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' PHE . 46.1 mtm105 -70.87 -33.85 71.03 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.283 0.492 . . . . 71.24 110.308 171.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -69.23 -24.86 64.07 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.055 0.942 . . . . 61.44 111.067 170.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 27.5 mtpp -79.49 -23.88 42.69 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.095 0.558 . . . . 71.43 111.446 174.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.6 p -96.18 155.33 16.8 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.943 0.497 . . . . 52.04 110.128 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt 71.16 0.85 3.58 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 125.12 1.368 . . . . 73.23 111.311 -168.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -78.05 113.25 15.8 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.392 1.077 . . . . 73.21 109.052 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -69.55 88.61 0.5 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 121.5 0.667 . . . . 53.12 111.641 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -104.28 -23.04 13.27 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.427 1.091 . . . . 72.2 109.708 171.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.34 81.33 1.42 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.985 1.314 . . . . 74.43 107.591 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.6 m -63.23 161.74 13.21 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.137 -0.938 . . . . 72.3 111.814 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -58.79 101.03 0.08 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.959 0.903 . . . . 54.21 110.722 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.89 158.28 34.88 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.722 0.809 . . . . 55.03 112.922 -169.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.87 93.88 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.062 0.945 . . . . 61.25 111.91 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.116 0 CA-C-O 121.684 0.602 . . . . 30.32 113.57 -178.827 . . . . . . . . 0 0 . 1 stop_ save_