data_2lm4_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 2lm4 _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 ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 111.74 0.274 . . . . 74.540000000000006 111.74 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.68 -31.65 71.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.674 0.39 . . . . 72.140000000000001 111.968 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.45 -39.43 77.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.309 0.244 . . . . 72.420000000000002 111.038 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.452 ' HA ' HD23 ' A' ' 50' ' ' LEU . 54.2 mtt-85 -60.44 -46.19 90.95 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.801 0.441 . . . . 74.140000000000001 109.877 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.212 0.605 . . . . 71.120000000000005 111.788 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -65.35 -50.0 67.24 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.145 0.978 . . . . 74.010000000000005 112.108 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.93 -39.09 79.82 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.06 0.544 . . . . 73.540000000000006 111.595 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.673 HG13 HD21 ' A' ' 50' ' ' LEU . 93.9 mt -65.17 -36.13 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 123.779 0.832 . . . . 75.25 110.907 172.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.34 -48.03 77.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.419 0.688 . . . . 75.439999999999998 111.925 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -70.4 -25.02 63.04 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.391 0.677 . . . . 72.5 111.164 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -68.82 -32.24 71.8 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.067 0.947 . . . . 64.310000000000002 111.543 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.58 4.09 54.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.95 0.9 . . . . 73.150000000000006 111.808 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -98.9 111.32 23.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 107.689 -1.226 . . . . 73.109999999999999 107.689 161.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.607 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.63 152.33 37.7 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.886 0.875 . . . . 75.230000000000004 111.187 -167.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.0 -35.91 37.41 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-N 115.796 -0.638 . . . . 72.150000000000006 113.539 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG12 ' HB3' ' A' ' 69' ' ' ASP . 41.6 pt -124.38 151.78 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-N 117.319 0.56 . . . . 75.340000000000003 112.007 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.2 mm? -72.56 -25.26 61.29 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.021 0.928 . . . . 75.549999999999997 112.345 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.17 -51.35 66.77 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.044 0.45 . . . . 71.25 111.766 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' H ' HG13 ' A' ' 35' ' ' ILE . 30.7 m -72.83 -29.64 63.39 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.275 0.63 . . . . 62.409999999999997 111.254 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t70 -59.31 -54.68 44.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.012 0.525 . . . . 73.430000000000007 111.852 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.78 -38.32 90.18 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.582 0.753 . . . . 72.430000000000007 111.707 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.88 -59.68 5.03 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.81 0.844 . . . . 73.239999999999995 111.669 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 HD12 ' HD2' ' A' ' 33' ' ' ARG . 66.5 mt -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.958 0.725 . . . . 74.519999999999996 112.958 -176.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -48.14 75.86 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.622 0.647 . . . . 74.040000000000006 111.525 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.43 -40.17 79.69 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.57 -0.741 . . . . 64.310000000000002 112.745 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -62.34 -48.29 80.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.813 0.845 . . . . 72.540000000000006 111.643 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -66.1 -48.5 70.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.329 0.652 . . . . 61.340000000000003 112.095 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.19 67.09 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.72 -0.673 . . . . 65.319999999999993 112.38 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -91.07 -54.99 3.71 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.014 0.926 . . . . 75.219999999999999 112.499 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.03 -36.35 35.89 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.289 1.036 . . . . 75.109999999999999 113.104 -168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.718 ' HG ' HD22 ' A' ' 58' ' ' LEU . 8.5 mp -64.42 -22.38 66.94 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 118.628 0.649 . . . . 71.010000000000005 112.733 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -66.55 -43.94 83.7 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.764 0.425 . . . . 75.129999999999995 111.443 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -88.68 -24.1 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.997 0.74 . . . . 73.430000000000007 112.997 -175.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 63.0 mtm -82.59 143.55 30.95 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.053 0.761 . . . . 72.519999999999996 113.053 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -77.25 163.98 26.01 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.493 1.117 . . . . 73.400000000000006 109.893 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.52 -35.12 65.29 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 112.456 0.539 . . . . 74.519999999999996 112.456 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.99 -48.76 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.731 0.812 . . . . 72.450000000000003 111.361 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 27.5 mm-40 -65.31 -37.89 88.51 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.695 0.798 . . . . 73.109999999999999 111.725 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.718 HD22 ' HG ' ' A' ' 50' ' ' LEU . 24.2 mt -62.53 -29.01 70.25 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.705 0.802 . . . . 72.319999999999993 112.539 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.25 -31.76 55.25 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.444 0.697 . . . . 64.349999999999994 111.618 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.73 -35.9 81.19 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.174 0.511 . . . . 74.409999999999997 109.723 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -69.95 -34.17 73.07 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.843 -0.617 . . . . 74.019999999999996 111.425 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.61 -43.56 97.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.361 0.664 . . . . 54.32 109.721 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -58.57 -29.92 66.78 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.602 0.761 . . . . 71.099999999999994 112.46 173.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.16 -33.97 61.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.678 0.791 . . . . 63.200000000000003 111.581 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.94 -24.55 64.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.05 0.54 . . . . 75.319999999999993 112.201 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -74.2 -15.18 61.01 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.395 0.678 . . . . 74.310000000000002 112.376 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.7 160.56 18.81 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.168 0.587 . . . . 74.310000000000002 111.378 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.14 144.97 30.38 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 75.409999999999997 111.75 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.499 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.3 m-20 -40.52 -65.46 0.41 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.18 1.392 . . . . 74.450000000000003 114.289 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -62.99 -35.78 81.33 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.416 0.447 . . . . 73.510000000000005 112.202 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.05 -49.14 75.73 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.136 0.273 . . . . 52.030000000000001 110.78 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.06 -45.05 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.99 0.916 . . . . 72.209999999999994 111.121 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.38 -40.28 93.29 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.351 -0.841 . . . . 63.240000000000002 111.646 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.09 -40.56 71.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.954 0.502 . . . . 73.409999999999997 111.702 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.569 ' HB3' HD13 ' A' ' 95' ' ' LEU . 20.2 m0 -65.39 -35.99 82.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.8 0.333 . . . . 74.239999999999995 111.262 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.28 75.72 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.789 0.836 . . . . 74.040000000000006 112.416 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.8 p -85.3 -1.27 56.79 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.46 0.704 . . . . 74.450000000000003 112.18 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 69.82 19.04 7.26 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 125.07 1.348 . . . . 75.109999999999999 112.449 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -82.43 66.62 8.12 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 121.896 0.855 . . . . 72.400000000000006 109.949 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -76.22 -9.33 58.55 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.851 . . . . 75.049999999999997 111.975 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.09 -50.88 71.47 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.994 0.918 . . . . 72.120000000000005 111.093 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 m -76.37 -55.38 5.6 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.344 -0.389 . . . . 72.019999999999996 110.638 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -112.0 103.06 54.97 Favored Pre-proline 0 N--CA 1.487 1.388 0 C-N-CA 123.401 0.681 . . . . 74.430000000000007 110.538 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.56 148.05 83.49 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 122.982 2.454 . . . . 71.409999999999997 112.714 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.1 tp -81.25 118.45 72.35 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-O 119.297 -0.382 . . . . 75.239999999999995 111.739 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -72.1 165.22 33.27 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.345 2.697 . . . . 74.530000000000001 113.14 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.97 -46.03 85.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.106 0.962 . . . . 72.519999999999996 112.354 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -55.24 -24.24 26.77 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.359 0.874 . . . . 75.420000000000002 113.359 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -106.23 -23.3 12.61 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.562 0.579 . . . . 74.120000000000005 112.562 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.26 73.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.962 0.905 . . . . 63.350000000000001 112.73 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -111.4 11.8 21.52 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.132 0.573 . . . . 75.420000000000002 112.231 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -88.06 132.84 34.14 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.839 0.456 . . . . 75.310000000000002 111.923 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.07 -38.31 75.71 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 116.144 -0.48 . . . . 73.540000000000006 111.283 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.55 -43.31 75.71 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.823 0.849 . . . . 74.019999999999996 112.346 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 75' ' ' TRP . 16.0 tp -56.23 -48.64 76.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.37 0.605 . . . . 75.239999999999995 111.268 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.85 -32.32 73.51 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.085 -0.962 . . . . 73.400000000000006 111.166 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.82 -39.69 94.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.559 0.743 . . . . 74.519999999999996 110.724 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.9 tp -68.62 -37.19 79.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.11 0.964 . . . . 73.400000000000006 111.351 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.22 -45.99 68.47 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.263 0.625 . . . . 71.109999999999999 111.301 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.56 -23.97 66.29 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.812 0.845 . . . . 75.409999999999997 111.802 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -73.89 -47.8 35.49 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.885 0.474 . . . . 74.409999999999997 110.39 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.5 m -56.05 -37.98 70.0 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.941 0.896 . . . . 75.5 113.259 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.04 -33.07 73.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.851 0.46 . . . . 53.299999999999997 111.698 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 . . . . . 0 CA--C 1.554 1.107 0 C-N-CA 123.011 0.524 . . . . 72.120000000000005 111.582 179.206 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 CA--C 1.554 1.129 0 N-CA-C 112.487 0.551 . . . . 72.25 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -68.23 -32.37 72.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.604 0.638 . . . . 74.400000000000006 111.494 168.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.9 tttp -64.75 -54.63 28.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.722 -0.844 . . . . 74.409999999999997 108.722 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 27' ' ' ILE . 38.6 ttm180 -53.28 -54.41 36.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.854 1.261 . . . . 75.420000000000002 112.169 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.17 79.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.45 0.7 . . . . 72.329999999999998 112.396 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -72.41 -32.34 66.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.685 0.794 . . . . 70.510000000000005 111.829 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 83.4 mt -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 55.219999999999999 110.359 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 23' ' ' ARG . 39.5 mt -62.59 -31.11 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 C-N-CA 123.891 0.876 . . . . 75.409999999999997 111.441 175.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.83 -51.28 50.27 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.79 0.836 . . . . 74.519999999999996 111.502 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.587 ' HB2' HD11 ' A' ' 65' ' ' LEU . 43.0 mt-30 -74.35 -13.19 60.71 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.206 0.603 . . . . 61.420000000000002 112.347 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.744 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 85.3 p -88.86 -38.57 14.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.292 0.637 . . . . 65.239999999999995 111.217 174.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -77.81 -9.39 59.01 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.257 0.551 . . . . 73.409999999999997 110.146 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 111.68 23.84 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.55 -0.907 . . . . 75.019999999999996 108.55 163.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.49 168.56 20.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.734 1.214 . . . . 74.540000000000006 109.561 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.77 -59.03 7.48 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.561 -0.29 . . . . 72.340000000000003 113.056 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -96.13 154.24 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.123 0.569 . . . . 73.299999999999997 112.467 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.26 -22.95 61.15 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.415 -0.811 . . . . 73.129999999999995 111.552 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 35' ' ' ILE . 2.1 mp0 -63.02 -52.17 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.436 0.694 . . . . 72.439999999999998 110.974 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.422 ' H ' HG13 ' A' ' 35' ' ' ILE . 20.1 m -73.52 -30.13 62.9 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.477 0.711 . . . . 65.109999999999999 111.334 175.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.66 -58.91 5.67 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.999 0.52 . . . . 75.019999999999996 111.563 174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.8 mt -55.79 -35.66 66.54 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.658 0.783 . . . . 75.299999999999997 111.746 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.9 -60.41 2.89 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.063 0.945 . . . . 75.510000000000005 111.876 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.744 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 58.6 mt -76.1 -31.89 58.93 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.047 1.128 . . . . 74.109999999999999 114.047 -173.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.3 p -62.15 -48.67 79.06 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.135 0.425 . . . . 63.439999999999998 110.921 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.19 -44.82 85.58 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.446 -0.797 . . . . 72.349999999999994 113.048 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.17 -43.08 82.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.015 0.926 . . . . 73.430000000000007 111.762 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -69.35 -47.09 65.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.128 -0.942 . . . . 61.229999999999997 111.866 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -31.78 73.05 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.004 -0.543 . . . . 72.420000000000002 112.066 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.31 -55.87 3.35 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.942 0.897 . . . . 75.439999999999998 112.403 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.63 -26.87 45.32 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.636 0.976 . . . . 75.120000000000005 113.636 -171.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -66.54 -22.44 66.16 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 118.47 0.577 . . . . 72.430000000000007 112.097 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.72 -41.96 99.42 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.074 0.55 . . . . 74.299999999999997 111.309 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -22.26 25.24 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.672 0.619 . . . . 73.5 112.672 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.5 mtm -81.35 138.54 35.64 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.473 0.654 . . . . 71.230000000000004 112.059 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.62 175.04 6.53 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.316 1.446 . . . . 74.219999999999999 109.846 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.87 -47.4 31.79 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.153 1.381 . . . . 75.439999999999998 113.786 -169.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -71.95 -37.6 69.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.694 0.798 . . . . 75.530000000000001 111.268 -173.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -64.91 -41.34 95.64 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.865 0.866 . . . . 74.519999999999996 111.634 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 HD21 ' HG ' ' A' ' 50' ' ' LEU . 66.4 mt -58.59 -29.08 66.16 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.047 0.939 . . . . 72.420000000000002 113.081 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -69.21 -39.01 78.86 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.023 0.529 . . . . 74.209999999999994 111.852 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.13 -34.22 77.55 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.969 0.507 . . . . 73.129999999999995 110.318 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -67.46 -39.94 85.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.269 -0.423 . . . . 75.209999999999994 111.914 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.08 -34.59 72.15 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.311 0.645 . . . . 74.329999999999998 110.868 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 m -62.96 -37.88 88.88 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.89 0.876 . . . . 73.0 112.366 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.18 -30.92 71.01 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 123.384 0.674 . . . . 70.340000000000003 112.017 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 29' ' ' GLN . 51.5 mt -68.15 -21.29 64.92 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.386 0.674 . . . . 63.32 112.316 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -82.25 -6.63 59.36 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.111 0.564 . . . . 63.439999999999998 111.98 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.2 163.96 16.62 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.976 0.511 . . . . 64.319999999999993 110.458 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.32 137.52 35.75 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.647 0.379 . . . . 74.0 111.088 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.64 -52.2 18.83 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.809 1.04 . . . . 72.209999999999994 113.809 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -56.49 -44.38 80.62 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.296 0.48 . . . . 74.519999999999996 112.296 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.26 -51.18 68.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.501 0.32 . . . . 71.219999999999999 111.099 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 42' ' ' LEU . 81.2 mt -51.81 -38.16 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.08 0.952 . . . . 74.209999999999994 111.329 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 33.5 t80 -68.99 -47.04 66.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.831 -0.622 . . . . 75.109999999999999 111.574 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.72 -20.17 59.94 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.346 0.498 . . . . 74.200000000000003 112.346 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -77.33 -44.47 29.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.899 0.48 . . . . 74.030000000000001 110.629 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.69 -69.66 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.337 0.655 . . . . 74.030000000000001 111.163 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 p -75.5 111.31 10.67 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.574 -0.898 . . . . 73.150000000000006 108.574 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 84.69 0.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.963 0.905 . . . . 73.109999999999999 112.502 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -110.71 -59.3 1.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.857 -1.065 . . . . 74.219999999999999 109.609 171.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 54.83 20.27 2.98 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 124.417 1.087 . . . . 71.310000000000002 113.444 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -82.09 5.26 20.08 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.415 1.086 . . . . 73.450000000000003 113.287 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 t -162.83 -32.34 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.241 1.016 . . . . 72.129999999999995 110.576 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.0 m -109.94 98.17 32.94 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 123.647 0.779 . . . . 65.439999999999998 110.734 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.78 157.45 55.26 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.318 2.012 . . . . 74.329999999999998 112.141 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.9 tp -85.39 121.84 73.65 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 122.895 0.478 . . . . 72.420000000000002 111.48 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.664 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.2 Cg_exo -76.94 160.51 33.69 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.759 2.306 . . . . 73.129999999999995 112.226 173.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.57 -33.31 73.64 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.332 1.053 . . . . 73.140000000000001 111.945 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.664 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.4 ptmt -58.97 -23.03 61.33 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.481 1.112 . . . . 75.319999999999993 113.305 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -115.67 -16.47 11.27 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.627 0.603 . . . . 73.340000000000003 112.627 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.66 88.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.053 0.541 . . . . 74.420000000000002 111.225 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -99.0 10.11 42.17 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.767 0.827 . . . . 74.010000000000005 112.462 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -98.33 126.19 43.74 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.969 0.508 . . . . 73.040000000000006 111.286 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -70.2 -27.49 64.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.656 0.383 . . . . 71.209999999999994 110.935 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.5 tp -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.591 0.757 . . . . 75.430000000000007 112.286 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.38 -45.92 92.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.566 -0.743 . . . . 75.019999999999996 111.268 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.77 -28.47 67.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.445 0.698 . . . . 74.409999999999997 111.416 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -67.48 -36.06 80.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.116 0.966 . . . . 73.040000000000006 110.874 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.7 -33.88 60.36 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.858 0.863 . . . . 74.310000000000002 111.362 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.19 -45.85 68.92 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.908 0.883 . . . . 74.239999999999995 111.24 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.08 -36.8 80.4 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.696 0.399 . . . . 73.109999999999999 110.716 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.99 -37.52 86.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.333 0.253 . . . . 75.219999999999999 111.257 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.1 t -55.23 -28.77 55.54 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.893 0.477 . . . . 75.129999999999995 111.699 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.67 -43.28 23.04 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 123.873 0.869 . . . . 74.209999999999994 110.968 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 114.688 1.366 . . . . 64.430000000000007 114.688 -166.545 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.559 1.321 0 CA-C-O 120.925 0.393 . . . . 72.519999999999996 111.475 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.29 -29.16 62.53 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.822 0.449 . . . . 75.140000000000001 111.635 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.21 -46.74 87.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.776 0.43 . . . . 74.239999999999995 110.563 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -56.36 -39.46 72.92 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.076 0.95 . . . . 73.230000000000004 110.808 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.97 92.84 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.472 0.709 . . . . 73.209999999999994 111.832 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -63.48 -33.7 76.15 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.961 0.904 . . . . 74.530000000000001 112.244 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.83 -49.08 21.88 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 122.706 0.402 . . . . 74.219999999999999 111.14 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 46' ' ' ALA . 75.8 mt -57.62 -33.11 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 C-N-CA 123.335 0.654 . . . . 72.420000000000002 111.238 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.37 -50.17 70.97 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.704 0.802 . . . . 74.329999999999998 111.492 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB2' HD13 ' A' ' 65' ' ' LEU . 47.4 mt-30 -81.58 -8.76 59.76 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.374 0.67 . . . . 71.340000000000003 112.636 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 71.0 p -84.31 -46.02 12.21 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.017 0.527 . . . . 74.530000000000001 110.773 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.61 2.87 20.82 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.501 -0.772 . . . . 74.140000000000001 111.583 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -114.93 112.03 22.08 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.464 -0.569 . . . . 73.340000000000003 109.464 163.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.61 ' HD2' HD13 ' A' ' 42' ' ' LEU . 6.3 mmp_? -136.96 166.27 24.05 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.849 1.26 . . . . 74.420000000000002 109.672 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.26 -40.23 94.68 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 116.41 -0.359 . . . . 61.119999999999997 113.367 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.73 149.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 122.807 0.443 . . . . 72.439999999999998 110.858 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.83 -22.11 59.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.81 0.844 . . . . 71.299999999999997 112.807 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.86 -52.3 51.46 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 120.905 0.383 . . . . 75.129999999999995 111.47 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.7 m -72.84 -29.56 63.31 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.299 0.64 . . . . 74.109999999999999 111.394 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.42 -55.0 33.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.887 0.875 . . . . 74.329999999999998 111.127 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.92 -33.29 70.38 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.893 0.877 . . . . 72.200000000000003 112.05 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.5 -56.6 19.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.284 0.633 . . . . 75.239999999999995 111.341 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 33' ' ' ARG . 71.2 mt -74.25 -24.36 59.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.618 0.767 . . . . 75.340000000000003 112.399 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -62.61 -55.06 30.64 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.606 0.362 . . . . 55.219999999999999 110.987 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.43 95.46 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-N 116.035 -0.529 . . . . 75.349999999999994 113.116 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.42 -43.37 98.98 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.879 0.872 . . . . 74.239999999999995 111.222 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -70.91 -36.68 72.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.762 0.425 . . . . 75.129999999999995 112.101 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.87 86.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.634 -0.712 . . . . 73.319999999999993 112.057 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -86.38 -56.09 3.6 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.087 0.555 . . . . 73.340000000000003 111.705 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -74.97 -54.18 7.66 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 118.098 -0.953 . . . . 75.140000000000001 113.176 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 46' ' ' ALA . 7.0 mp -54.39 -30.44 52.08 Favored 'General case' 0 N--CA 1.506 2.333 0 CA-C-N 119.115 0.87 . . . . 73.109999999999999 113.138 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.43 -29.68 70.68 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.704 0.801 . . . . 72.25 112.229 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -122.26 -3.84 8.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.876 0.87 . . . . 74.510000000000005 112.923 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' HD23 ' A' ' 58' ' ' LEU . 41.9 ttm -72.57 150.35 43.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.024 0.93 . . . . 73.219999999999999 111.492 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -77.67 151.41 34.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.28 0.632 . . . . 70.099999999999994 111.004 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.3 -40.28 74.07 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.584 1.154 . . . . 72.409999999999997 111.545 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.33 -35.27 75.25 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.48 1.112 . . . . 72.030000000000001 113.129 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HB2' ' HG2' ' A' ' 53' ' ' MET . 41.5 mt-10 -78.45 -32.91 48.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.288 0.635 . . . . 73.409999999999997 112.102 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.586 HD23 ' SD ' ' A' ' 53' ' ' MET . 81.0 mt -60.11 -35.99 76.45 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.713 1.005 . . . . 65.310000000000002 113.713 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.595 0.358 . . . . 73.219999999999999 111.699 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.73 -33.64 66.53 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.994 0.518 . . . . 75.010000000000005 110.098 172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.81 -37.36 84.37 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.215 0.606 . . . . 75.140000000000001 111.996 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.85 -45.94 74.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.323 0.649 . . . . 74.319999999999993 110.301 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 m -59.29 -36.31 75.34 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.947 0.899 . . . . 64.530000000000001 112.258 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.23 -34.25 77.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.343 0.657 . . . . 75.310000000000002 111.874 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' A' ' 29' ' ' GLN . 70.9 mt -71.52 -18.76 62.26 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.017 0.527 . . . . 75.239999999999995 111.922 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -84.23 -7.97 59.18 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.476 0.711 . . . . 70.120000000000005 112.153 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.12 167.5 16.71 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.293 0.568 . . . . 74.310000000000002 111.688 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 133.73 38.45 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.431 -0.804 . . . . 75.109999999999999 110.859 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -49.64 -54.39 18.76 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.177 1.391 . . . . 61.310000000000002 112.985 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -54.37 -47.11 73.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.377 0.671 . . . . 75.319999999999993 112.292 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.32 -45.68 93.41 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.212 0.605 . . . . 72.129999999999995 111.464 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.558 HG23 HD11 ' A' ' 42' ' ' LEU . 70.2 mt -53.38 -46.64 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 124.019 0.928 . . . . 71.319999999999993 111.039 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.22 -45.25 94.21 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.627 -1.17 . . . . 74.140000000000001 111.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -70.15 -40.14 74.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.95 0.722 . . . . 75.430000000000007 112.95 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.447 ' HB3' HD12 ' A' ' 95' ' ' LEU . 19.4 m0 -64.14 -38.24 90.34 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.125 0.488 . . . . 74.120000000000005 110.852 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.61 13.22 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.973 -1.012 . . . . 72.409999999999997 111.824 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 p -83.81 6.48 21.2 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.006 0.922 . . . . 73.420000000000002 112.655 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 67.56 20.06 9.77 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.762 1.225 . . . . 75.349999999999994 113.134 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.87 60.81 5.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.637 0.775 . . . . 73.230000000000004 111.038 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.94 0.97 13.96 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.512 0.725 . . . . 75.530000000000001 112.53 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -26.35 14.74 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.569 1.548 . . . . 73.230000000000004 113.811 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -128.69 -35.74 1.89 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.335 0.654 . . . . 74.310000000000002 111.972 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 m -116.14 100.74 53.75 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 123.003 0.521 . . . . 72.439999999999998 110.259 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.21 160.5 48.81 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.755 2.303 . . . . 73.420000000000002 112.829 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 33.8 tp -81.55 123.11 81.12 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 122.813 0.445 . . . . 74.140000000000001 111.164 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.547 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.9 Cg_exo -78.45 165.57 25.13 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.993 2.462 . . . . 63.509999999999998 112.988 175.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.78 -31.92 73.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.22 1.008 . . . . 74.230000000000004 112.067 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.7 ptmt -62.62 -29.08 70.35 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.033 0.933 . . . . 72.430000000000007 112.862 178.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -103.14 -16.77 15.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 112.576 0.584 . . . . 74.329999999999998 112.576 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.16 -31.53 65.49 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.547 0.739 . . . . 71.450000000000003 112.442 175.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -99.44 -5.63 29.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.805 0.842 . . . . 63.409999999999997 112.627 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -83.18 133.8 35.01 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.285 0.846 . . . . 74.420000000000002 113.285 -170.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.593 ' HB2' ' HZ3' ' A' ' 93' ' ' LYS . 5.0 ttmp? -69.97 -41.54 74.32 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.107 0.963 . . . . 74.409999999999997 111.031 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.9 -44.27 63.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.98 1.312 . . . . 72.329999999999998 112.777 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' ' 75' ' ' TRP . 44.6 tp -53.62 -48.24 69.51 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.782 -0.645 . . . . 75.400000000000006 110.743 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 55.6 mttp -64.26 -37.3 87.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.223 -0.899 . . . . 73.530000000000001 111.308 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.0 -44.26 94.66 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.895 0.878 . . . . 74.409999999999997 110.982 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.29 -33.35 65.15 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.006 0.922 . . . . 72.510000000000005 111.752 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.32 -39.79 85.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.599 0.76 . . . . 70.420000000000002 111.314 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 19.1 mm-40 -67.46 -37.03 82.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.889 0.476 . . . . 71.209999999999994 111.715 175.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.02 -56.16 6.76 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.663 -0.244 . . . . 74.109999999999999 111.523 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.3 p -58.87 -45.4 90.26 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.16 0.984 . . . . 74.019999999999996 113.202 -169.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.97 -25.68 60.06 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.472 -0.785 . . . . 72.329999999999998 112.043 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 113.912 1.079 . . . . 71.109999999999999 113.912 -173.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 112.162 0.43 . . . . 74.109999999999999 112.162 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -70.16 -37.74 75.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 122.401 0.28 . . . . 72.510000000000005 111.662 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -60.94 -48.17 83.07 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 123.276 0.36 . . . . 65.010000000000005 110.179 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HA ' HD22 ' A' ' 50' ' ' LEU . 89.9 mtt180 -56.38 -55.05 38.3 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 115.409 -0.814 . . . . 75.299999999999997 111.303 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.45 70.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.391 0.676 . . . . 73.450000000000003 112.256 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.61 -39.88 84.72 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.552 1.141 . . . . 65.150000000000006 112.537 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.3 mt -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.577 0.351 . . . . 75.310000000000002 111.325 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 46' ' ' ALA . 58.5 mt -59.02 -34.4 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 C-N-CA 123.776 0.83 . . . . 71.310000000000002 110.248 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.58 -39.66 80.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.724 0.809 . . . . 74.049999999999997 111.616 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.614 ' HB2' HD12 ' A' ' 65' ' ' LEU . 47.7 mt-30 -78.69 -10.11 59.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.153 0.581 . . . . 74.219999999999999 112.368 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -88.55 -32.36 18.2 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.13 0.572 . . . . 64.409999999999997 110.438 168.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -76.19 -9.94 59.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.906 0.882 . . . . 64.409999999999997 111.067 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -98.84 116.04 30.18 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.167 -1.049 . . . . 74.219999999999999 108.167 160.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -151.27 173.41 14.49 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.642 0.377 . . . . 74.099999999999994 110.225 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -63.01 2.14 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 112.057 -0.417 . . . . 70.230000000000004 112.057 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 37' ' ' GLU . 39.9 pt -99.28 153.4 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.106 0.562 . . . . 75.140000000000001 112.099 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.92 -24.67 59.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.724 0.809 . . . . 74.420000000000002 112.496 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HB2' HD11 ' A' ' 35' ' ' ILE . 27.6 mm-40 -59.36 -53.27 60.09 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.722 0.409 . . . . 75.150000000000006 112.071 176.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.408 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 15.6 m -73.82 -30.13 62.54 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.882 0.473 . . . . 74.120000000000005 111.622 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.78 -55.87 25.44 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.258 0.623 . . . . 73.5 110.993 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.81 -30.58 67.07 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.564 0.745 . . . . 73.010000000000005 112.109 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.94 -52.05 66.68 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.196 0.598 . . . . 62.240000000000002 110.805 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.77 -35.33 62.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.530000000000001 112.329 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -73.18 -35.95 66.49 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 123.105 0.562 . . . . 74.319999999999993 112.492 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.71 -41.01 85.09 Favored Glycine 0 N--CA 1.478 1.447 0 CA-C-O 121.428 0.46 . . . . 63.020000000000003 112.01 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.33 -34.77 75.8 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.332 1.053 . . . . 74.109999999999999 110.505 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -73.86 -38.76 64.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.465 -0.788 . . . . 75.420000000000002 112.551 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.76 81.6 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 122.997 0.519 . . . . 71.329999999999998 112.147 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -88.61 -55.35 3.75 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.469 0.708 . . . . 73.400000000000006 112.858 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.52 -49.73 10.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.176 0.806 . . . . 70.349999999999994 113.176 -169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 46' ' ' ALA . 8.7 mp -49.96 -41.63 47.07 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.329 0.863 . . . . 63.240000000000002 113.329 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.18 -21.63 66.34 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 114.939 -1.028 . . . . 72.129999999999995 112.381 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -112.27 -18.69 12.46 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.985 0.914 . . . . 75.030000000000001 111.977 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 mtm -76.39 150.74 36.75 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.492 0.663 . . . . 74.219999999999999 111.835 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 m-80 -87.35 163.98 16.5 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.133 -0.94 . . . . 74.209999999999994 110.918 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -51.21 -40.84 59.61 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.779 1.232 . . . . 74.319999999999993 112.011 -175.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.02 -42.02 97.66 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.508 1.123 . . . . 74.129999999999995 113.035 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.73 -43.79 68.18 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.65 0.78 . . . . 75.099999999999994 110.631 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD21 ' HG ' ' A' ' 50' ' ' LEU . 28.9 mt -55.68 -31.56 62.51 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.581 -1.19 . . . . 71.409999999999997 113.388 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.11 -42.15 94.25 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.132 0.573 . . . . 74.340000000000003 112.037 173.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.57 -34.35 75.66 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 116.43 -0.35 . . . . 73.519999999999996 110.333 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.8 t80 -64.22 -37.33 87.08 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.893 0.477 . . . . 72.420000000000002 111.317 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.08 -40.93 91.24 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.472 0.709 . . . . 72.140000000000001 110.673 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.3 m -64.48 -34.06 77.33 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.382 0.673 . . . . 64.140000000000001 111.903 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 98' ' ' LEU . 38.9 tp -69.53 -36.28 76.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.969 0.508 . . . . 75.219999999999999 111.055 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.614 HD12 ' HB2' ' A' ' 29' ' ' GLN . 62.0 mt -65.34 -35.77 81.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.613 0.765 . . . . 73.430000000000007 110.747 172.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.67 -21.57 66.1 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.828 1.251 . . . . 73.349999999999994 111.945 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -76.64 157.36 31.92 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.904 0.383 . . . . 64.420000000000002 111.527 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.0 125.36 28.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.532 0.733 . . . . 74.349999999999994 109.602 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.9 p-10 -42.97 -52.76 5.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.52 1.674 . . . . 75.430000000000007 115.52 -174.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -55.62 -45.24 77.56 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.316 0.487 . . . . 75.530000000000001 112.316 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -61.55 -47.6 84.78 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.778 0.431 . . . . 73.109999999999999 111.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 69' ' ' ASP . 57.4 mt -52.03 -45.61 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 C-N-CA 124.235 1.014 . . . . 72.450000000000003 111.38 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 26.0 t80 -66.89 -42.03 86.2 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.763 -1.108 . . . . 74.510000000000005 111.123 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.434 ' HD1' HD21 ' A' ' 79' ' ' ASN . 24.7 m-85 -68.98 -34.63 75.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.069 0.547 . . . . 75.409999999999997 111.848 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.404 ' HB3' HD12 ' A' ' 95' ' ' LEU . 27.0 m0 -68.65 -37.08 79.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.521 174.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -75.56 -15.82 60.33 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.768 0.827 . . . . 74.510000000000005 112.948 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -114.66 5.17 15.29 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.44 0.696 . . . . 73.120000000000005 112.807 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 67.86 21.55 9.01 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 124.776 1.23 . . . . 73.549999999999997 114.252 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.434 HD21 ' HD1' ' A' ' 74' ' ' TYR . 76.8 m-20 -85.22 58.97 5.34 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.547 0.689 . . . . 73.120000000000005 110.779 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.08 -10.01 59.07 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.621 0.768 . . . . 75.340000000000003 112.363 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.13 -39.54 78.83 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.554 0.741 . . . . 74.340000000000003 111.964 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -91.6 -40.32 11.39 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 122.866 0.467 . . . . 74.129999999999995 111.221 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -126.62 97.22 33.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 C-N-CA 123.574 0.75 . . . . 73.439999999999998 109.808 172.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.55 152.52 80.59 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.492 2.128 . . . . 75.230000000000004 112.458 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 HD11 ' HD2' ' A' ' 86' ' ' PRO . 31.0 tp -78.35 124.62 85.59 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 115.792 -0.64 . . . . 75.340000000000003 110.601 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD2' HD11 ' A' ' 85' ' ' LEU . 91.7 Cg_endo -82.86 157.26 15.7 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.541 2.161 . . . . 74.120000000000005 111.786 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.79 -29.24 69.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.27 1.028 . . . . 75.25 112.512 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.53 -27.15 68.41 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.853 0.861 . . . . 75.400000000000006 113.242 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -111.81 -8.3 14.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.458 0.54 . . . . 71.319999999999993 112.458 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 1.1 12.75 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.304 0.854 . . . . 74.450000000000003 113.304 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.51 18.47 2.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.348 0.659 . . . . 70.150000000000006 111.059 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -86.27 130.08 34.64 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.79 0.836 . . . . 74.409999999999997 111.887 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.75 -43.42 72.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.132 0.573 . . . . 74.030000000000001 110.314 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.0 tp -50.27 -47.08 55.5 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.923 1.289 . . . . 73.120000000000005 113.063 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 75' ' ' TRP . 31.8 tp -56.4 -46.4 80.16 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.902 0.881 . . . . 73.420000000000002 111.683 177.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.57 -33.28 68.95 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.221 -0.899 . . . . 74.140000000000001 111.377 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.05 -37.93 89.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.893 0.877 . . . . 75.439999999999998 110.877 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 64' ' ' LEU . 51.5 tp -67.27 -37.29 83.23 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.977 0.911 . . . . 74.150000000000006 111.313 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 78.9 mt-30 -70.34 -41.93 72.54 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.859 0.864 . . . . 73.549999999999997 111.843 176.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.43 -47.76 82.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.691 0.796 . . . . 61.109999999999999 110.466 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -57.94 -47.86 81.65 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.637 1.175 . . . . 73.329999999999998 111.383 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -53.98 -25.52 21.23 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.808 1.243 . . . . 74.519999999999996 113.658 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.5 -42.87 28.41 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 112.721 0.637 . . . . 64.239999999999995 112.721 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 p30 . . . . . 0 N--CA 1.503 2.19 0 N-CA-C 113.784 1.031 . . . . 74.219999999999999 113.784 -169.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 112.433 0.531 . . . . 73.140000000000001 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.5 -32.5 66.21 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 122.215 -0.303 . . . . 75.0 111.454 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.5 tttp -65.63 -48.59 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.131 0.573 . . . . 75.530000000000001 109.662 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 27' ' ' ILE . 37.2 ttm-85 -49.22 -51.27 34.16 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.882 1.273 . . . . 74.430000000000007 110.189 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.7 96.98 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.307 -0.86 . . . . 75.319999999999993 112.511 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -65.56 -33.01 74.92 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.385 0.674 . . . . 74.140000000000001 111.555 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 78.1 mt -71.01 -45.37 64.07 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.937 0.495 . . . . 73.120000000000005 110.689 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.548 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.7 mt -54.34 -40.58 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.82 0.848 . . . . 52.039999999999999 111.502 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -58.87 -50.73 72.89 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.796 0.838 . . . . 70.230000000000004 112.011 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.533 ' HB2' HD13 ' A' ' 65' ' ' LEU . 25.3 mt-30 -72.65 -14.94 61.7 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.647 0.61 . . . . 75.140000000000001 112.647 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.1 p -89.8 -30.8 17.72 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.059 0.544 . . . . 75.219999999999999 112.292 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -77.47 -10.38 59.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.906 0.482 . . . . 73.340000000000003 111.917 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -105.66 113.09 26.44 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.967 -0.753 . . . . 62.43 108.967 163.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -149.42 145.9 27.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.087 0.955 . . . . 74.5 110.855 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.63 -27.3 73.53 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 114.504 0.562 . . . . 75.439999999999998 114.504 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -105.38 134.6 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.472 0.709 . . . . 73.239999999999995 110.285 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.86 -41.38 97.79 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.226 0.611 . . . . 74.299999999999997 112.368 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.97 -37.98 75.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.404 0.52 . . . . 71.25 112.404 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 69' ' ' ASP . 91.8 m -68.3 -35.65 78.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.15 0.58 . . . . 74.439999999999998 110.862 173.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.35 -56.72 15.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.207 1.003 . . . . 73.129999999999995 110.609 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.62 -28.28 68.36 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.542 0.737 . . . . 74.310000000000002 112.06 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' HD2' ' A' ' 101' ' ' PHE . 49.2 tp -64.18 -58.85 5.4 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.268 0.627 . . . . 64.310000000000002 110.767 174.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 87.0 mt -74.6 -30.04 61.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.921 0.711 . . . . 74.239999999999995 112.921 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -62.55 -56.94 13.3 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.4 0.68 . . . . 74.25 111.734 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -33.79 83.76 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.691 -0.686 . . . . 71.439999999999998 113.202 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.05 -42.15 93.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 74.239999999999995 110.401 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.763 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.08 -40.2 75.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.412 -0.813 . . . . 72.049999999999997 112.611 -176.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.86 83.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.258 0.466 . . . . 75.140000000000001 112.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -87.33 -55.71 3.69 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.652 -0.703 . . . . 72.420000000000002 112.74 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -79.96 -48.57 13.18 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.657 0.614 . . . . 73.209999999999994 112.657 -169.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 46' ' ' ALA . 8.8 mp -55.99 -29.16 59.86 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.302 0.501 . . . . 73.540000000000006 112.345 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -54.99 -42.45 72.47 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.268 1.027 . . . . 73.519999999999996 111.7 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -106.7 -13.67 15.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.189 0.996 . . . . 75.5 113.022 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 58' ' ' LEU . 46.7 ttm -69.26 146.42 52.3 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.636 1.174 . . . . 73.230000000000004 113.325 -171.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -73.48 155.69 38.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.71 0.804 . . . . 73.230000000000004 112.084 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.15 -43.5 61.24 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.751 1.62 . . . . 72.530000000000001 112.331 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.76 -46.93 80.08 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.918 -1.037 . . . . 74.530000000000001 111.887 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.7 -28.4 65.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.049 -0.978 . . . . 70.519999999999996 111.812 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 53' ' ' MET . 68.9 mt -60.49 -37.12 80.04 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 122.904 0.482 . . . . 54.539999999999999 111.763 170.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.03 -30.51 63.8 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.75 0.42 . . . . 75.109999999999999 111.218 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.99 -34.71 78.36 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 121.132 0.491 . . . . 70.340000000000003 110.235 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.32 -36.15 76.68 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.39 0.676 . . . . 75.329999999999998 112.03 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.99 -40.49 73.39 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.76 0.824 . . . . 62.439999999999998 109.73 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -60.62 -43.46 97.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.163 0.985 . . . . 74.120000000000005 112.186 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.29 -29.09 70.47 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.045 0.938 . . . . 73.420000000000002 112.217 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 29' ' ' GLN . 78.2 mt -70.6 -20.26 62.78 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.538 0.735 . . . . 72.010000000000005 112.728 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -87.06 -13.22 44.95 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.469 0.708 . . . . 64.310000000000002 111.764 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.74 163.53 25.31 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.684 0.624 . . . . 75.120000000000005 112.684 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.63 133.09 38.49 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.077 0.951 . . . . 73.519999999999996 112.106 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.9 OUTLIER -47.41 -68.87 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 115.527 1.677 . . . . 75.450000000000003 115.527 -174.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -56.77 -38.32 72.32 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 117.818 0.281 . . . . 74.409999999999997 111.547 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.83 -47.47 85.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.496 0.318 . . . . 73.010000000000005 111.277 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.73 -45.11 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 123.992 0.917 . . . . 75.329999999999998 111.505 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.51 -44.01 97.84 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.184 -0.917 . . . . 72.430000000000007 111.801 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.403 ' HD1' ' HB2' ' A' ' 79' ' ' ASN . 67.2 m-85 -78.82 -26.44 44.24 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.856 0.687 . . . . 73.319999999999993 112.856 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.538 ' HA ' ' HE1' ' A' ' 80' ' ' PHE . 36.3 m0 -68.4 -40.59 81.23 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.338 0.59 . . . . 72.420000000000002 110.252 170.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 102' ' ' SER . . . -67.74 -38.87 84.11 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 114.868 -1.06 . . . . 73.400000000000006 112.295 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -87.23 -6.2 58.66 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.112 0.565 . . . . 72.010000000000005 112.352 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 64.21 21.84 12.66 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.048 1.339 . . . . 74.450000000000003 111.946 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.403 ' HB2' ' HD1' ' A' ' 74' ' ' TYR . 89.6 m-20 -92.89 78.87 4.69 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.16 0.984 . . . . 72.549999999999997 110.412 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.555 ' HB3' ' HA ' ' A' ' 84' ' ' PRO . 22.3 m-85 -82.79 10.18 8.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.272 0.841 . . . . 73.420000000000002 113.272 -173.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -61.07 -43.68 98.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.869 0.868 . . . . 75.109999999999999 112.45 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -95.39 -36.72 11.25 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.533 0.733 . . . . 63.520000000000003 110.887 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -135.03 87.64 28.83 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.126 0.971 . . . . 71.310000000000002 110.86 -170.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.555 ' HA ' ' HB3' ' A' ' 80' ' ' PHE . 32.4 Cg_exo -61.17 152.18 73.66 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.809 2.339 . . . . 73.230000000000004 113.374 175.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.7 122.85 82.65 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 123.379 0.672 . . . . 74.209999999999994 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.482 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.8 Cg_exo -74.17 154.07 46.57 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.799 2.333 . . . . 75.109999999999999 111.92 171.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.168 0.987 . . . . 61.030000000000001 112.918 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.4 ptmt -55.36 -49.2 72.89 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.577 0.751 . . . . 72.010000000000005 112.597 175.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.58 -18.88 36.77 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.254 0.464 . . . . 64.120000000000005 112.254 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.83 50.69 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 113.347 0.869 . . . . 72.239999999999995 113.347 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -115.48 1.1 13.57 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.44 0.696 . . . . 75.239999999999995 112.375 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -73.38 131.94 42.44 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 112.892 0.701 . . . . 73.420000000000002 112.892 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -57.84 -43.81 86.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.396 1.079 . . . . 65.510000000000005 111.246 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -56.94 -46.71 81.88 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.957 -1.02 . . . . 74.140000000000001 112.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.68 -39.29 84.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.804 0.442 . . . . 74.540000000000006 111.776 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 66.2 mttm -61.87 -41.33 97.72 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.336 0.654 . . . . 74.329999999999998 111.111 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.28 -35.72 78.29 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.109 0.964 . . . . 74.010000000000005 111.299 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.73 -38.89 84.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.994 0.918 . . . . 74.209999999999994 111.088 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -64.89 -38.09 89.81 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.742 0.817 . . . . 71.420000000000002 111.718 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 11.1 mm-40 -62.66 -39.7 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.804 0.442 . . . . 63.210000000000001 111.89 176.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.4 ' HD2' HD11 ' A' ' 41' ' ' LEU . 60.2 t80 -74.16 -45.72 46.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.85 -0.159 . . . . 73.319999999999993 111.281 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 43.4 t -50.19 -54.19 22.65 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.254 1.021 . . . . 51.299999999999997 112.972 -176.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.31 -23.25 51.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.563 -0.744 . . . . 63.439999999999998 111.75 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 . . . . . 0 N--CA 1.487 1.395 0 C-N-CA 123.836 0.854 . . . . 73.150000000000006 111.588 -178.766 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 . . . . . 0 CA--C 1.554 1.108 0 N-CA-C 112.968 0.729 . . . . 73.109999999999999 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -71.84 -27.88 63.19 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.276 0.489 . . . . 72.109999999999999 111.901 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HZ1' ' HB3' ' A' ' 59' ' ' GLU . 78.4 tttt -68.48 -50.75 50.04 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.91 -0.404 . . . . 75.109999999999999 109.91 171.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.6 -42.47 78.81 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.634 0.774 . . . . 75.329999999999998 111.634 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.601 0.76 . . . . 73.409999999999997 111.72 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -60.77 -41.38 95.36 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.96 0.904 . . . . 64.019999999999996 111.437 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.1 mt -71.38 -44.12 65.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.007 0.523 . . . . 73.540000000000006 111.964 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.511 HG12 ' HB1' ' A' ' 46' ' ' ALA . 57.7 mt -62.68 -29.5 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 123.006 0.522 . . . . 75.430000000000007 110.848 171.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -73.39 -40.02 64.64 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.792 0.837 . . . . 75.310000000000002 112.4 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.65 ' HB2' HD12 ' A' ' 65' ' ' LEU . 25.0 mt-30 -76.39 -14.68 60.06 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.224 0.609 . . . . 65.319999999999993 111.778 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.4 p -87.0 -17.83 32.07 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.449 0.7 . . . . 72.230000000000004 111.128 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -20.92 29.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.325 0.65 . . . . 75.239999999999995 111.281 171.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.49 111.46 23.56 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.559 -0.904 . . . . 72.239999999999995 108.559 171.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 5.0 mmp_? -147.29 156.06 42.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 74.439999999999998 110.525 -171.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.8 -35.42 35.68 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-N 115.832 -0.622 . . . . 71.019999999999996 113.818 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 69' ' ' ASP . 48.9 pt -128.18 154.89 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 117.546 0.673 . . . . 72.120000000000005 111.722 175.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.27 -28.86 62.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.867 0.867 . . . . 73.310000000000002 112.795 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.5 -38.35 84.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 122.002 -0.436 . . . . 75.329999999999998 112.105 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.8 m -73.49 -28.53 61.97 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.898 0.479 . . . . 73.450000000000003 111.142 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t70 -64.82 -48.31 74.85 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.786 0.434 . . . . 75.329999999999998 111.731 171.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.05 -28.31 68.11 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.197 0.599 . . . . 75.25 111.1 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 tp -73.03 -57.53 3.97 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.777 0.831 . . . . 73.439999999999998 111.386 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD11 HD12 ' A' ' 72' ' ' ILE . 57.6 mt -76.51 -46.57 26.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.615 0.968 . . . . 74.040000000000006 113.615 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.9 t -69.17 -31.06 69.45 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 118.43 0.559 . . . . 70.430000000000007 111.624 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.02 -45.38 73.1 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 121.405 0.447 . . . . 62.329999999999998 112.355 169.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.39 -33.68 71.51 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.51 1.124 . . . . 74.040000000000006 110.829 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -73.98 -39.02 63.97 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.685 0.794 . . . . 74.030000000000001 112.391 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.84 67.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.121 0.415 . . . . 73.349999999999994 112.121 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -88.98 -56.9 3.1 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 123.143 0.577 . . . . 74.230000000000004 112.224 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -80.8 -41.75 22.82 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.35 0.87 . . . . 75.5 113.35 -169.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' ALA . 8.0 mp -60.45 -21.04 61.86 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.031 0.752 . . . . 74.230000000000004 113.031 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.33 -26.74 68.6 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.049 0.94 . . . . 65.200000000000003 112.427 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -114.51 -13.77 12.17 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.986 0.915 . . . . 73.030000000000001 112.382 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' ' 58' ' ' LEU . 59.0 ttm -71.14 130.72 42.21 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.345 1.058 . . . . 72.030000000000001 113.824 -167.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -83.23 167.05 18.05 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.958 0.903 . . . . 74.409999999999997 111.88 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.69 -44.2 66.13 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 124.732 1.213 . . . . 75.120000000000005 112.649 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.05 -40.08 88.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.516 1.127 . . . . 61.409999999999997 112.725 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -78.43 -31.53 48.16 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.851 0.86 . . . . 72.340000000000003 111.295 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 HD21 ' SD ' ' A' ' 53' ' ' MET . 77.5 mt -65.34 -45.0 85.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.46 1.104 . . . . 72.120000000000005 111.848 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 11.2 pt-20 -67.49 -29.16 68.52 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.878 0.37 . . . . 75.239999999999995 111.53 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.66 -43.24 80.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.944 -0.571 . . . . 72.439999999999998 110.498 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.417 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 58.7 t80 -62.51 -36.88 83.95 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.271 0.629 . . . . 75.120000000000005 111.617 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.94 -47.61 80.24 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.982 0.513 . . . . 75.129999999999995 110.749 174.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 m -54.31 -40.21 67.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.64 0.776 . . . . 74.329999999999998 111.856 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD22 HD21 ' A' ' 98' ' ' LEU . 32.2 tp -66.78 -34.36 77.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.001 0.92 . . . . 71.150000000000006 111.846 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' A' ' 29' ' ' GLN . 38.5 mt -70.47 -27.77 64.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.648 0.779 . . . . 74.420000000000002 111.753 176.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -84.22 -3.48 58.21 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.106 0.562 . . . . 65.120000000000005 112.022 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -84.22 164.45 19.09 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.177 0.513 . . . . 64.430000000000007 110.608 173.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.76 133.23 35.62 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.057 -0.52 . . . . 75.329999999999998 110.568 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 35' ' ' ILE . 7.9 m-20 -46.63 -58.7 3.58 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.066 1.506 . . . . 71.420000000000002 115.066 -172.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -59.78 -35.24 74.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.397 -0.335 . . . . 74.329999999999998 111.56 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.15 -47.26 71.56 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.148 0.579 . . . . 74.409999999999997 110.869 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.531 HD12 HD11 ' A' ' 42' ' ' LEU . 72.4 mt -50.88 -47.24 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 124.447 1.099 . . . . 74.409999999999997 110.463 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.59 -38.84 84.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.031 -1.441 . . . . 74.239999999999995 111.916 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -71.16 -42.24 69.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.201 0.6 . . . . 75.209999999999994 111.449 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -63.56 -34.63 78.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.161 0.505 . . . . 73.530000000000001 110.471 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -71.14 -32.18 68.63 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.809 0.844 . . . . 73.019999999999996 112.742 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -102.04 11.92 37.66 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.613 0.765 . . . . 74.519999999999996 112.222 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 55.07 70.91 0.58 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.984 1.313 . . . . 75.099999999999994 112.492 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -140.54 102.45 4.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.806 0.842 . . . . 74.420000000000002 109.014 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.76 5.17 15.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.633 0.773 . . . . 72.209999999999994 111.733 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.65 -40.2 63.91 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.032 0.933 . . . . 75.010000000000005 110.789 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -97.38 -33.53 11.38 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.478 0.711 . . . . 73.129999999999995 111.968 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -134.98 92.9 17.92 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.286 0.634 . . . . 74.129999999999995 110.695 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.24 154.14 69.76 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.1 2.533 . . . . 72.319999999999993 112.994 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.94 123.35 66.37 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 123.148 0.579 . . . . 63.149999999999999 111.713 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.475 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 16.4 Cg_exo -70.18 153.08 67.34 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.694 2.263 . . . . 75.200000000000003 112.639 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.14 -32.59 68.3 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.032 0.933 . . . . 74.450000000000003 112.183 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.475 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 62.6 pttt -63.36 -25.43 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.527 0.731 . . . . 75.129999999999995 112.436 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.45 ' HB3' HD21 ' A' ' 95' ' ' LEU . 31.4 m95 -100.75 -26.63 13.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.192 0.597 . . . . 74.409999999999997 112.217 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.71 71.44 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.381 0.672 . . . . 74.340000000000003 112.543 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -105.27 2.12 28.7 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.434 0.694 . . . . 70.420000000000002 112.303 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -81.79 128.26 33.83 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.81 0.67 . . . . 75.420000000000002 112.81 -171.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -60.51 -38.44 84.37 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.29 1.036 . . . . 72.430000000000007 110.823 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.07 -48.25 80.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.994 0.918 . . . . 75.140000000000001 112.471 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 89' ' ' TRP . 27.9 tp -62.06 -40.16 94.85 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.806 0.442 . . . . 73.450000000000003 111.272 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.31 -49.47 76.89 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.515 0.726 . . . . 72.319999999999993 110.613 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.208 1.003 . . . . 75.219999999999999 111.711 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 64' ' ' LEU . 35.6 tp -67.55 -44.59 77.93 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.76 0.824 . . . . 74.310000000000002 111.522 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 79.3 mt-30 -64.91 -37.57 88.07 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.575 0.75 . . . . 74.409999999999997 111.388 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.7 -35.31 79.83 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.406 0.683 . . . . 73.230000000000004 111.098 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.8 -34.75 69.65 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.518 0.327 . . . . 71.219999999999999 110.713 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 64.5 m -60.66 -32.75 71.93 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 122.746 0.419 . . . . 72.439999999999998 111.313 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.56 -33.34 60.63 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.6 -0.727 . . . . 72.219999999999999 111.576 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 124.219 1.007 . . . . 73.420000000000002 113.016 -176.437 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.103 0.478 . . . . 73.409999999999997 111.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -74.18 -29.58 61.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.297 0.639 . . . . 75.030000000000001 112.158 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HZ2' ' HB3' ' A' ' 59' ' ' GLU . 83.0 tttt -72.49 -53.76 11.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.954 0.902 . . . . 74.25 110.134 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 34.9 ttp-105 -55.78 -41.18 73.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.289 1.036 . . . . 73.120000000000005 111.375 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.67 95.46 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.088 0.555 . . . . 71.329999999999998 111.631 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.85 -32.47 73.01 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.255 1.022 . . . . 65.349999999999994 111.867 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 50' ' ' LEU . 93.5 mt -74.89 -44.11 50.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.945 0.498 . . . . 72.040000000000006 111.58 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.69 HG12 ' HB2' ' A' ' 46' ' ' ALA . 53.7 mt -62.51 -33.47 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 121.122 0.486 . . . . 74.409999999999997 110.587 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 123.944 0.898 . . . . 73.530000000000001 111.953 170.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.631 ' HB2' HD12 ' A' ' 65' ' ' LEU . 26.6 mt-30 -74.52 -17.15 60.79 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.12 0.568 . . . . 65.510000000000005 112.377 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.5 p -83.75 -26.41 29.7 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.77 0.428 . . . . 70.340000000000003 111.229 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 76.5 mtp180 -85.58 -9.65 57.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.275 0.63 . . . . 73.340000000000003 111.514 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -107.59 111.22 23.36 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.47 -0.567 . . . . 73.150000000000006 109.47 164.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.651 ' HD2' HD11 ' A' ' 42' ' ' LEU . 4.6 mmp_? -138.09 -168.26 2.32 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.283 1.033 . . . . 74.140000000000001 110.133 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.38 -44.89 3.37 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 116.091 -0.504 . . . . 74.530000000000001 112.657 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.9 pt -117.71 150.92 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.557 0.743 . . . . 75.519999999999996 110.84 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.81 -19.87 61.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.329 0.651 . . . . 75.319999999999993 112.71 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.09 -43.9 85.96 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.818 0.281 . . . . 70.319999999999993 111.48 171.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.5 m -73.44 -29.79 62.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.248 0.219 . . . . 71.239999999999995 111.179 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -57.62 -58.14 9.63 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 117.851 0.296 . . . . 73.140000000000001 111.055 168.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.3 -31.75 72.39 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.432 0.693 . . . . 75.519999999999996 112.054 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -69.01 -60.24 2.49 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.256 0.623 . . . . 75.040000000000006 111.134 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.651 HD11 ' HD2' ' A' ' 33' ' ' ARG . 40.4 mt -74.47 -33.21 62.82 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.574 0.953 . . . . 63.119999999999997 113.574 -173.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -70.54 -37.07 74.0 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 118.234 0.47 . . . . 75.420000000000002 111.557 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -41.82 89.07 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 121.438 0.465 . . . . 40.149999999999999 112.045 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -60.98 -33.63 73.51 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.449 1.1 . . . . 75.340000000000003 110.338 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.34 -40.34 64.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.465 0.706 . . . . 70.299999999999997 112.237 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.13 74.94 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.188 0.518 . . . . 71.530000000000001 112.05 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -87.87 -54.62 4.15 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.581 0.752 . . . . 75.409999999999997 112.544 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.415 ' HB3' ' HE1' ' A' ' 53' ' ' MET . 58.1 m-85 -82.59 -41.32 19.68 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.935 1.087 . . . . 71.329999999999998 113.935 -170.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -60.59 -22.1 63.36 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 119.182 0.901 . . . . 75.140000000000001 111.995 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -29.93 70.79 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 124.056 0.942 . . . . 74.310000000000002 112.068 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -118.45 -24.06 6.96 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.292 1.219 . . . . 74.409999999999997 114.292 -177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 49' ' ' TYR . 52.0 mtm -71.43 148.48 46.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 112.921 0.711 . . . . 73.239999999999995 112.921 -170.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -81.85 166.93 19.52 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.656 -1.156 . . . . 72.400000000000006 111.284 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.22 -46.34 54.58 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.269 1.028 . . . . 75.230000000000004 112.692 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.51 -36.22 83.48 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.724 0.81 . . . . 65.549999999999997 112.81 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.08 -40.04 68.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.468 0.707 . . . . 71.010000000000005 111.34 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD23 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -60.23 -44.98 94.74 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.71 1.004 . . . . 75.340000000000003 113.71 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB3' ' HZ2' ' A' ' 22' ' ' LYS . 8.3 pt-20 -73.86 -26.2 60.44 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.95 -0.469 . . . . 72.230000000000004 111.404 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.92 -37.33 78.87 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 120.956 0.407 . . . . 73.430000000000007 110.436 168.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 55.2 t80 -64.61 -34.31 77.97 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.391 0.676 . . . . 73.409999999999997 111.201 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' HA ' HD13 ' A' ' 65' ' ' LEU . 53.6 t0 -56.99 -46.99 81.85 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.227 0.611 . . . . 71.040000000000006 109.96 172.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -59.33 -34.35 72.24 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.463 0.705 . . . . 72.200000000000003 112.651 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD22 HD22 ' A' ' 98' ' ' LEU . 41.6 tp -67.82 -35.14 78.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.414 0.685 . . . . 73.420000000000002 111.237 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 29' ' ' GLN . 37.5 mt -70.76 -23.19 62.37 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.855 0.862 . . . . 73.219999999999999 111.428 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -88.6 7.43 33.38 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.1 0.56 . . . . 74.109999999999999 112.103 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -92.22 171.68 8.91 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.499 0.666 . . . . 71.340000000000003 112.436 174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.34 128.91 35.1 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.945 -1.025 . . . . 72.530000000000001 110.973 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -53.34 -53.09 56.08 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.003 1.321 . . . . 72.430000000000007 114.494 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.49 -35.99 77.26 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 111.887 0.328 . . . . 73.439999999999998 111.887 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.98 -51.48 66.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.654 0.382 . . . . 73.209999999999994 110.702 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 42' ' ' LEU . 64.9 mt -50.3 -44.89 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.108 0.963 . . . . 74.109999999999999 111.283 174.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -67.88 -43.23 79.83 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.821 -1.081 . . . . 74.109999999999999 111.903 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.519 ' HB3' ' HA ' ' A' ' 80' ' ' PHE . 30.9 m-85 -76.55 -28.43 56.29 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 112.933 0.716 . . . . 75.310000000000002 112.933 -177.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.601 ' HB3' HD13 ' A' ' 95' ' ' LEU . 30.6 m0 -68.52 -43.5 76.62 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 109.815 -0.439 . . . . 73.140000000000001 109.815 173.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.38 -52.56 61.16 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.365 1.066 . . . . 75.239999999999995 112.273 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.7 p -68.85 -16.13 63.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.363 0.665 . . . . 72.209999999999994 111.959 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 64.4 21.16 12.41 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.103 1.361 . . . . 74.030000000000001 111.256 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -76.45 -52.76 9.2 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.689 -0.856 . . . . 75.439999999999998 108.689 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HA ' ' HB3' ' A' ' 74' ' ' TYR . 97.3 m-85 65.28 -79.13 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.795 1.638 . . . . 75.219999999999999 110.563 -173.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 51.41 -74.82 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.804 2.042 . . . . 75.200000000000003 113.805 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -96.33 -24.46 16.17 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.137 0.975 . . . . 74.310000000000002 111.686 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -112.66 96.98 39.27 Favored Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.394 1.078 . . . . 70.540000000000006 110.841 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.06 169.84 20.82 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.98 2.454 . . . . 72.540000000000006 113.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -89.16 120.13 69.8 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 122.791 0.436 . . . . 74.349999999999994 111.519 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.63 166.64 28.79 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 123.215 2.61 . . . . 74.129999999999995 113.011 173.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.99 -41.11 87.32 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.97 0.908 . . . . 72.540000000000006 112.317 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -67.45 -13.97 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.601 0.761 . . . . 74.319999999999993 113.011 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -105.65 -15.85 14.85 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.398 0.679 . . . . 74.329999999999998 112.13 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.17 118.43 8.57 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 109.867 -0.419 . . . . 73.140000000000001 109.867 170.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 71.41 26.86 3.2 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 125.696 1.599 . . . . 42.399999999999999 112.501 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -80.64 130.23 34.98 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.052 0.541 . . . . 65.430000000000007 111.776 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HZ3' ' NE2' ' A' ' 97' ' ' GLN . 65.3 tttm -63.76 -43.78 95.38 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.116 0.566 . . . . 74.140000000000001 110.705 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 tp -57.87 -40.5 80.36 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.291 1.036 . . . . 75.129999999999995 111.749 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 75' ' ' TRP . 47.7 tp -62.05 -48.29 80.91 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.748 -0.66 . . . . 73.420000000000002 111.244 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -58.75 -41.57 86.82 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.654 0.781 . . . . 74.099999999999994 111.498 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' NE2' ' HZ3' ' A' ' 93' ' ' LYS . 99.5 mt-30 -59.52 -43.25 93.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.525 1.13 . . . . 73.200000000000003 111.584 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.42 HD22 HD22 ' A' ' 64' ' ' LEU . 37.6 tp -70.04 -36.77 75.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.062 0.945 . . . . 73.340000000000003 112.141 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.65 -49.57 62.22 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.567 0.747 . . . . 71.030000000000001 112.186 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.14 -27.63 64.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.868 0.467 . . . . 65.340000000000003 110.784 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.93 -50.74 65.26 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.801 0.441 . . . . 74.299999999999997 110.802 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 t -55.0 -28.48 52.3 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.472 0.709 . . . . 74.420000000000002 112.502 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.32 -44.73 71.12 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.722 0.809 . . . . 73.129999999999995 111.89 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 . . . . . 0 N--CA 1.489 1.522 0 C-N-CA 124.083 0.953 . . . . 74.430000000000007 112.82 -170.618 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 CA--C 1.558 1.283 0 CA-C-O 120.554 0.216 . . . . 74.319999999999993 111.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.35 -37.27 82.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 111.949 0.351 . . . . 75.099999999999994 111.949 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' A' ' 22' ' ' LYS . 2.3 ttmp? -60.3 -49.83 76.05 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 122.588 0.355 . . . . 75.400000000000006 110.996 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -53.7 -50.31 66.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.74 0.816 . . . . 75.319999999999993 111.395 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.83 95.4 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.097 0.559 . . . . 64.230000000000004 112.493 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.93 -42.76 97.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.47 0.708 . . . . 74.239999999999995 111.723 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -44.66 91.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.054 0.541 . . . . 75.099999999999994 111.729 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 79.3 mt -55.86 -42.81 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.904 0.482 . . . . 72.0 110.763 173.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.94 -46.46 90.61 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.218 0.607 . . . . 74.519999999999996 111.907 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.541 ' HB2' HD11 ' A' ' 65' ' ' LEU . 44.3 mt-30 -71.81 -15.52 62.15 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.427 0.691 . . . . 74.540000000000006 112.16 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.7 m -78.99 -40.31 31.87 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.061 0.944 . . . . 75.439999999999998 111.051 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 64.3 mtp180 -80.06 -14.34 58.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.126 -0.943 . . . . 72.430000000000007 110.816 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -86.78 111.2 20.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 107.352 -1.351 . . . . 73.109999999999999 107.352 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -154.38 150.25 27.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.919 0.39 . . . . 74.310000000000002 111.549 -172.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.66 -42.14 40.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.811 -0.632 . . . . 65.140000000000001 113.758 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' A' ' 69' ' ' ASP . 37.6 pt -116.27 154.25 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.842 0.457 . . . . 75.420000000000002 111.44 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.46 -24.29 60.2 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.058 0.943 . . . . 73.129999999999995 112.772 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -64.53 -53.24 51.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.371 0.605 . . . . 72.120000000000005 111.433 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.1 m -72.93 -29.65 63.28 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.843 0.857 . . . . 62.210000000000001 111.319 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.52 -58.91 5.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.492 0.717 . . . . 71.200000000000003 112.041 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.61 -27.73 67.93 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.232 0.613 . . . . 74.420000000000002 111.762 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 tp -64.45 -59.68 4.05 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.831 0.852 . . . . 71.450000000000003 111.648 175.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 33' ' ' ARG . 79.9 mt -75.59 -32.54 60.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 74.030000000000001 113.153 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -62.81 -47.11 84.85 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.031 0.532 . . . . 75.239999999999995 110.882 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.44 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 115.456 -0.793 . . . . 74.120000000000005 112.871 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.51 -41.74 97.77 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.799 0.839 . . . . 71.450000000000003 111.254 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.81 -40.13 72.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.148 0.579 . . . . 65.25 112.419 -177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.52 -25.92 64.27 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.295 0.638 . . . . 74.239999999999995 112.237 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -92.04 -54.21 3.93 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.673 0.789 . . . . 74.400000000000006 112.841 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -82.01 -46.2 14.29 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.045 1.128 . . . . 75.310000000000002 114.045 -168.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -54.63 -20.49 8.21 Favored 'General case' 0 N--CA 1.509 2.507 0 N-CA-C 113.74 1.015 . . . . 73.420000000000002 113.74 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 75.6 mmtt -55.33 -42.48 73.85 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.971 0.908 . . . . 72.030000000000001 112.45 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 51' ' ' LYS . 3.3 mppt? -113.88 -22.57 10.07 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.427 0.691 . . . . 73.25 112.619 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.6 ttp -70.25 133.56 47.15 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.476 0.71 . . . . 63.229999999999997 112.159 -170.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 m120 -70.07 160.02 32.77 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.001 1.111 . . . . 73.329999999999998 114.001 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.79 -51.41 29.36 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 126.224 1.81 . . . . 70.549999999999997 112.061 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.63 -36.49 83.86 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.835 -1.53 . . . . 64.329999999999998 112.666 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.11 -32.22 68.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.382 0.673 . . . . 75.329999999999998 111.19 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.499 HD23 ' HG ' ' A' ' 50' ' ' LEU . 44.7 mt -64.72 -32.37 74.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.126 0.971 . . . . 75.120000000000005 112.194 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.2 -28.81 60.14 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.025 0.53 . . . . 73.420000000000002 111.742 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.75 -34.62 75.9 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.98 -0.378 . . . . 74.109999999999999 109.98 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.8 t80 -66.64 -38.5 87.0 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.0 0.37 . . . . 70.349999999999994 112.0 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.34 -40.36 81.96 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.36 0.664 . . . . 65.019999999999996 110.8 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -58.79 -41.85 87.7 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.569 0.748 . . . . 75.219999999999999 111.718 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 HD23 ' A' ' 98' ' ' LEU . 33.4 tp -69.09 -34.95 75.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.467 0.707 . . . . 73.200000000000003 111.613 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 29' ' ' GLN . 84.6 mt -69.98 -18.95 63.36 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.215 0.606 . . . . 74.450000000000003 111.576 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.31 -0.91 52.34 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.122 0.969 . . . . 65.329999999999998 112.212 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.04 169.37 18.31 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.341 0.657 . . . . 70.010000000000005 111.332 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.51 140.47 44.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.121 0.568 . . . . 73.219999999999999 111.35 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.616 ' HB3' HG12 ' A' ' 35' ' ' ILE . 25.2 m-20 -51.39 -69.27 0.12 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.559 1.144 . . . . 74.409999999999997 113.497 -172.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -54.34 -36.81 64.2 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.323 0.649 . . . . 72.109999999999999 112.701 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.62 -49.47 76.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.652 0.781 . . . . 63.100000000000001 111.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.32 -43.84 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 C-N-CA 123.655 0.782 . . . . 65.439999999999998 110.973 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -65.21 -46.57 80.17 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.801 -1.09 . . . . 73.510000000000005 111.72 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.04 -33.12 71.56 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.704 0.631 . . . . 74.430000000000007 112.704 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -66.84 -39.88 87.78 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.081 0.467 . . . . 72.109999999999999 110.667 174.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 102' ' ' SER . . . -70.72 -34.42 71.88 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.538 -0.756 . . . . 72.340000000000003 111.934 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.4 p -98.69 15.21 25.96 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.603 0.761 . . . . 64.140000000000001 112.606 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 tttp 67.47 4.84 3.98 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 124.197 0.999 . . . . 74.200000000000003 113.222 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -88.1 69.87 9.29 Favored 'General case' 0 CA--C 1.561 1.372 0 O-C-N 120.9 -1.125 . . . . 71.310000000000002 110.626 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -81.09 -11.43 59.49 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.756 0.822 . . . . 71.200000000000003 113.04 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -57.28 -44.27 83.86 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.381 0.673 . . . . 71.25 111.623 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -86.25 -41.81 14.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.056 -0.975 . . . . 63.0 111.852 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 m -126.63 94.93 39.05 Favored Pre-proline 0 N--CA 1.493 1.713 0 C-N-CA 123.088 0.555 . . . . 74.450000000000003 110.784 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.13 151.19 80.42 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.016 2.477 . . . . 64.120000000000005 112.98 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -82.5 119.99 75.84 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 122.659 0.384 . . . . 72.439999999999998 110.887 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.592 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.1 Cg_exo -74.26 157.89 45.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.795 2.33 . . . . 75.439999999999998 112.445 173.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.49 -31.48 70.51 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.186 0.994 . . . . 74.010000000000005 112.14 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.592 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -61.18 -26.51 67.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.092 0.957 . . . . 74.349999999999994 113.315 178.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -107.17 -10.77 15.77 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 112.671 0.619 . . . . 75.25 112.671 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.09 71.4 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.689 0.795 . . . . 73.349999999999994 113.114 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.83 4.74 21.98 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.452 0.701 . . . . 75.209999999999994 112.33 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -73.59 126.58 30.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.279 0.632 . . . . 74.400000000000006 112.663 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -52.96 -48.35 67.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.574 1.149 . . . . 72.319999999999993 111.324 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.55 -47.22 66.9 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.085 1.354 . . . . 71.329999999999998 113.789 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.51 -41.63 98.96 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.385 -0.371 . . . . 71.549999999999997 111.466 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.5 87.02 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.3 -0.409 . . . . 75.349999999999994 110.826 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.8 -42.51 93.61 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.634 0.774 . . . . 75.409999999999997 111.273 171.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD23 HD23 ' A' ' 64' ' ' LEU . 42.9 tp -67.7 -39.92 84.35 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.188 0.995 . . . . 75.420000000000002 111.615 -177.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.27 -38.91 82.21 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.699 0.8 . . . . 74.340000000000003 111.49 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -61.68 -43.27 99.18 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.247 0.619 . . . . 74.409999999999997 111.12 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -69.87 -44.6 69.48 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.352 -0.385 . . . . 75.310000000000002 111.87 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 35.2 t -51.95 -50.52 61.03 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.891 0.876 . . . . 72.040000000000006 112.895 -173.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -75.21 -34.67 61.5 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 122.851 0.46 . . . . 74.519999999999996 111.679 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 74.25 112.516 -171.32 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 CA--C 1.558 1.264 0 CA-C-O 121.476 0.655 . . . . 74.129999999999995 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.61 -27.04 51.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.244 1.018 . . . . 72.420000000000002 112.83 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' NZ ' HD12 ' A' ' 26' ' ' LEU . 52.7 tttm -71.9 -45.81 59.93 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.145 -0.687 . . . . 74.530000000000001 109.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HA ' HD23 ' A' ' 50' ' ' LEU . 98.7 mtt180 -57.92 -47.1 83.85 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.091 -0.959 . . . . 74.340000000000003 110.511 172.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.66 88.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.92 0.488 . . . . 71.219999999999999 111.803 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -69.52 -38.51 77.59 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.386 1.074 . . . . 74.319999999999993 112.239 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' NZ ' ' A' ' 22' ' ' LYS . 85.2 mt -72.65 -44.86 61.32 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.412 0.285 . . . . 70.400000000000006 111.104 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' A' ' 46' ' ' ALA . 66.1 mt -61.98 -31.02 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 123.615 0.766 . . . . 75.409999999999997 111.129 173.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -63.74 -48.19 77.99 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 122.003 -0.436 . . . . 75.299999999999997 111.203 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.554 ' HB2' HD12 ' A' ' 65' ' ' LEU . 23.6 mt-30 -80.68 -6.16 58.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.63 0.604 . . . . 74.230000000000004 112.63 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.519 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 59.9 p -85.87 -28.91 24.09 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.818 0.447 . . . . 73.120000000000005 109.98 167.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -84.76 -19.36 32.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.633 -0.712 . . . . 74.409999999999997 111.764 170.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -93.85 111.06 22.7 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 106.986 -1.487 . . . . 73.109999999999999 106.986 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -148.74 169.51 20.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.51 0.724 . . . . 74.409999999999997 111.51 -163.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.86 -58.98 3.58 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.011 -0.995 . . . . 74.510000000000005 111.425 165.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 69' ' ' ASP . 36.1 pt -108.01 149.25 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 122.992 0.517 . . . . 75.329999999999998 111.552 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.5 mm? -74.02 -16.83 61.04 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.876 0.695 . . . . 74.400000000000006 112.876 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.55 -46.09 64.24 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 118.268 0.486 . . . . 65.239999999999995 111.422 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.417 ' H ' HG13 ' A' ' 35' ' ' ILE . 46.8 m -70.31 -30.01 66.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.048 0.539 . . . . 61.5 110.832 174.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 3.3 t70 -54.47 -57.99 9.2 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.788 0.435 . . . . 72.230000000000004 111.024 168.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.413 0.685 . . . . 72.140000000000001 112.287 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.01 -60.31 3.18 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.724 0.81 . . . . 73.150000000000006 111.844 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 75.7 mt -75.77 -27.38 58.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.101 0.778 . . . . 74.010000000000005 113.101 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 t -64.32 -50.46 67.74 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.346 0.658 . . . . 74.319999999999993 111.166 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.39 94.67 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 115.822 -0.626 . . . . 70.420000000000002 112.852 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.77 -43.15 94.49 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.704 0.801 . . . . 73.099999999999994 110.692 176.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.668 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -66.97 -46.02 75.94 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.109 -0.95 . . . . 75.340000000000003 112.152 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.14 73.23 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.861 -0.609 . . . . 75.450000000000003 112.466 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -83.53 -54.22 5.11 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.073 0.549 . . . . 74.420000000000002 111.93 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.458 ' HB3' ' HE3' ' A' ' 53' ' ' MET . 51.1 m-85 -81.72 -41.42 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.863 1.06 . . . . 72.540000000000006 113.863 -168.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.9 mp -59.48 -37.95 79.58 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.005 0.743 . . . . 75.209999999999994 113.005 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.86 -33.65 70.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.579 0.751 . . . . 74.340000000000003 112.296 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 49' ' ' TYR . 19.2 pttp -99.7 -13.77 19.18 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.288 0.635 . . . . 74.409999999999997 112.168 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' A' ' 49' ' ' TYR . 64.0 mtm -88.37 139.97 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.445 0.64 . . . . 74.230000000000004 111.863 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -90.44 173.98 7.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.06 0.944 . . . . 73.25 109.905 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.83 -33.71 75.81 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.449 0.699 . . . . 75.530000000000001 112.401 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.15 -30.41 71.47 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.852 0.861 . . . . 73.129999999999995 112.532 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.57 -45.86 16.68 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 123.693 0.797 . . . . 73.420000000000002 111.039 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 ' HG ' ' A' ' 50' ' ' LEU . 20.9 mt -58.16 -27.36 63.74 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.649 1.351 . . . . 72.25 114.649 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.01 -32.02 73.55 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.16 0.437 . . . . 75.120000000000005 112.082 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.73 -37.44 65.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.066 0.46 . . . . 72.200000000000003 109.955 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.469 ' HH ' ' HB3' ' A' ' 30' ' ' SER . 69.6 t80 -67.83 -31.5 71.38 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.011 -0.54 . . . . 71.519999999999996 111.651 175.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.07 -35.28 74.81 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 73.120000000000005 109.931 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 m -75.31 -30.12 60.23 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.451 -1.25 . . . . 70.140000000000001 112.248 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.44 -32.35 73.15 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.362 0.665 . . . . 72.310000000000002 111.876 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 29' ' ' GLN . 59.9 mt -71.02 -19.27 62.53 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.437 0.695 . . . . 74.430000000000007 112.018 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -82.62 -11.39 58.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.752 0.821 . . . . 75.140000000000001 111.663 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -84.33 168.02 16.01 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.527 0.68 . . . . 75.400000000000006 112.17 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.3 mt -81.04 128.47 33.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.02 -0.991 . . . . 63.329999999999998 111.086 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.6 m-20 -42.57 -63.54 0.76 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 114.77 1.396 . . . . 75.239999999999995 114.77 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -59.24 -36.99 76.45 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.452 0.301 . . . . 74.239999999999995 111.794 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.61 -45.83 81.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.874 0.469 . . . . 62.340000000000003 111.113 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.58 -45.34 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 123.769 0.828 . . . . 74.420000000000002 110.365 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.29 -42.96 99.13 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.04 -0.982 . . . . 74.230000000000004 111.565 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -74.84 -37.23 62.31 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.154 0.427 . . . . 75.209999999999994 112.154 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -62.71 -39.74 95.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.01 0.433 . . . . 71.400000000000006 109.984 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 -33.46 73.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.118 0.967 . . . . 63.340000000000003 112.977 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -93.54 5.64 50.91 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.947 0.499 . . . . 73.219999999999999 112.012 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 65.85 12.79 8.62 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.064 1.346 . . . . 75.310000000000002 112.303 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.47 64.72 6.31 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.839 0.828 . . . . 74.299999999999997 110.383 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -74.54 -12.24 60.42 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.514 0.726 . . . . 74.109999999999999 112.313 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.39 -36.83 79.0 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.978 0.911 . . . . 74.450000000000003 112.196 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.7 m -90.81 -50.76 5.72 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.359 0.664 . . . . 74.450000000000003 110.411 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 m -111.14 106.19 57.29 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 123.562 0.745 . . . . 73.420000000000002 110.978 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.45 147.23 70.69 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.524 2.149 . . . . 73.219999999999999 112.225 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -82.66 122.05 78.27 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 122.979 0.511 . . . . 74.310000000000002 111.024 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.63 160.91 46.9 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.156 2.571 . . . . 74.219999999999999 112.822 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.04 -34.63 78.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.649 0.78 . . . . 74.129999999999995 111.732 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.57 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -77.22 9.02 3.39 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.421 0.897 . . . . 74.129999999999995 113.421 174.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -136.2 4.73 2.97 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 123.912 0.885 . . . . 70.129999999999995 111.742 164.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.46 107.06 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.118 0.567 . . . . 72.109999999999999 111.49 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 62.4 25.88 15.44 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.631 1.172 . . . . 74.340000000000003 112.402 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -66.82 140.66 57.83 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.62 0.368 . . . . 73.200000000000003 111.085 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.57 -42.02 95.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.399 1.079 . . . . 75.400000000000006 111.523 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.1 -45.05 87.88 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.821 0.849 . . . . 73.450000000000003 112.002 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.12 -44.24 97.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.942 0.497 . . . . 75.530000000000001 111.282 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.71 -42.33 83.53 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.065 0.546 . . . . 73.420000000000002 111.378 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.28 -43.2 98.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.323 0.649 . . . . 74.439999999999998 111.735 173.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.85 -39.89 94.28 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.237 1.015 . . . . 74.140000000000001 111.878 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.01 -49.03 69.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.875 0.87 . . . . 71.319999999999993 111.481 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.35 -25.84 64.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.541 -0.754 . . . . 73.239999999999995 111.48 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -75.0 -36.72 61.95 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.694 0.398 . . . . 75.450000000000003 111.836 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -54.91 -41.56 71.11 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 122.79 0.436 . . . . 62.25 111.679 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.29 -10.07 59.73 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.186 0.81 . . . . 71.049999999999997 113.186 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.492 1.645 0 C-N-CA 123.656 0.782 . . . . 64.120000000000005 113.05 177.72 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.565 1.541 0 N-CA-C 111.806 0.298 . . . . 75.129999999999995 111.806 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -72.91 -35.84 67.16 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 122.956 0.502 . . . . 74.329999999999998 111.845 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 54.7 tptt -56.65 -49.42 75.07 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.453 0.701 . . . . 74.25 110.127 169.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.34 -45.54 92.75 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.992 1.317 . . . . 72.530000000000001 111.408 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.45 91.01 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.013 0.525 . . . . 73.129999999999995 111.774 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -58.74 -42.48 88.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.686 0.795 . . . . 75.530000000000001 111.489 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.9 mt -66.17 -51.53 56.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.886 -0.597 . . . . 73.099999999999994 111.678 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -56.46 -33.99 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 123.221 0.609 . . . . 64.230000000000004 110.871 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.14 -49.95 70.14 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 124.29 1.036 . . . . 75.409999999999997 111.568 174.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.0 mt-30 -69.19 -19.53 63.99 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.395 0.678 . . . . 73.340000000000003 111.944 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 m -76.48 -38.89 54.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.117 0.967 . . . . 73.120000000000005 110.761 172.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.29 -9.79 59.39 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.031 0.933 . . . . 63.310000000000002 112.214 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 5.1 mptp? -108.7 110.68 22.16 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.027 -0.731 . . . . 75.120000000000005 109.027 169.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.98 148.28 27.54 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.49 0.716 . . . . 70.319999999999993 110.675 -178.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.54 -16.26 80.47 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-N 116.565 -0.289 . . . . 74.420000000000002 113.596 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.14 130.36 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.674 0.79 . . . . 73.109999999999999 109.917 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.9 -38.11 87.87 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.318 0.647 . . . . 72.129999999999995 112.094 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -60.71 -48.41 81.91 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.817 0.447 . . . . 75.140000000000001 111.356 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -69.24 -32.06 71.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 73.230000000000004 111.747 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.03 -56.3 18.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.657 0.783 . . . . 75.340000000000003 110.736 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.43 -29.81 69.39 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.477 0.711 . . . . 75.310000000000002 111.571 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.1 -59.47 5.29 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.831 0.852 . . . . 72.129999999999995 111.276 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.85 -37.49 73.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.916 0.487 . . . . 71.239999999999995 112.04 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.2 m -63.64 -45.16 91.49 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.27 0.628 . . . . 72.120000000000005 111.824 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.18 98.47 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 116.386 -0.37 . . . . 71.129999999999995 112.584 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.57 -35.66 81.24 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.141 0.977 . . . . 71.140000000000001 110.813 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -72.84 -45.6 57.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.287 0.635 . . . . 73.239999999999995 112.374 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.16 65.55 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.931 -0.577 . . . . 64.040000000000006 112.132 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -91.75 -55.07 3.61 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.043 0.937 . . . . 75.239999999999995 113.235 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' HH ' ' HB2' ' A' ' 101' ' ' PHE . 24.7 m-85 -81.17 -38.04 27.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.374 0.879 . . . . 72.319999999999993 113.374 -169.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -60.21 -21.84 62.26 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.939 0.718 . . . . 75.129999999999995 112.939 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.5 mmpt? -54.25 -43.41 70.92 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 70.200000000000003 112.947 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -114.3 -7.56 12.93 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.798 0.666 . . . . 75.310000000000002 112.798 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 37.8 mtm -73.73 137.05 43.77 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.57 0.7 . . . . 75.25 112.382 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.2 173.22 11.63 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 114.63 -1.168 . . . . 73.439999999999998 111.878 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -50.81 -43.88 58.93 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.985 1.314 . . . . 72.530000000000001 111.923 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.9 -36.77 78.44 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.167 -0.924 . . . . 75.409999999999997 111.774 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 29.5 mm-40 -66.8 -48.75 68.02 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.557 0.694 . . . . 73.209999999999994 110.507 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 ' HG ' ' A' ' 50' ' ' LEU . 8.8 mt -56.37 -41.41 76.15 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.38 1.252 . . . . 72.409999999999997 114.38 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.09 -28.16 57.45 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 122.103 -0.373 . . . . 72.319999999999993 111.903 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -67.47 -38.26 84.13 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.304 0.573 . . . . 73.200000000000003 109.475 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.73 -34.25 76.48 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.591 0.757 . . . . 71.239999999999995 111.925 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 -48.09 81.7 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.407 0.683 . . . . 74.409999999999997 109.703 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 m -57.62 -36.69 72.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.83 0.852 . . . . 70.150000000000006 112.345 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.3 tp -67.25 -35.66 80.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.355 0.662 . . . . 74.129999999999995 111.404 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.609 HD13 ' HB2' ' A' ' 29' ' ' GLN . 65.3 mt -74.62 -16.35 60.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.431 0.692 . . . . 71.329999999999998 112.141 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -90.4 1.97 56.08 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.086 0.554 . . . . 74.540000000000006 111.758 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -86.77 171.14 11.13 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.552 0.691 . . . . 75.340000000000003 112.245 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.98 121.63 20.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.082 -0.963 . . . . 74.150000000000006 110.531 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.491 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -47.05 -57.56 4.92 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 114.575 1.324 . . . . 74.519999999999996 114.575 -174.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -45.3 74.32 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.015 0.825 . . . . 74.430000000000007 112.303 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.13 -41.21 92.17 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.432 0.693 . . . . 73.010000000000005 111.451 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.84 -43.66 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 123.831 0.852 . . . . 74.310000000000002 111.524 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -68.1 -38.54 82.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.007 0.523 . . . . 74.0 111.502 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -72.54 -27.84 62.48 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.948 0.499 . . . . 71.209999999999994 112.012 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HA ' ' CE1' ' A' ' 80' ' ' PHE . 36.7 m0 -79.06 -36.2 41.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.138 0.575 . . . . 74.530000000000001 110.971 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -63.29 -34.86 78.6 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.673 0.789 . . . . 73.409999999999997 111.641 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.3 -172.6 2.46 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.38 -0.827 . . . . 74.420000000000002 109.843 172.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -103.78 34.14 3.12 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.666 0.746 . . . . 73.409999999999997 110.661 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.43 48.59 1.23 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.225 1.01 . . . . 70.019999999999996 110.834 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 93.5 m-85 -76.59 16.4 0.5 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.784 0.834 . . . . 73.219999999999999 113.003 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -74.98 -65.2 0.9 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.66 0.784 . . . . 75.019999999999996 110.944 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 t -76.61 -33.23 58.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.18 0.592 . . . . 74.310000000000002 112.323 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 m -125.91 91.37 48.4 Favored Pre-proline 0 N--CA 1.487 1.403 0 C-N-CA 123.119 0.568 . . . . 65.519999999999996 109.92 172.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -71.49 161.75 44.46 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.396 2.064 . . . . 73.340000000000003 112.684 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 86' ' ' PRO . 23.2 tp -81.39 123.89 80.85 Favored Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 115.866 -0.606 . . . . 72.200000000000003 111.47 -173.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.492 ' HD2' HD11 ' A' ' 85' ' ' LEU . 84.3 Cg_endo -80.71 163.17 21.26 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.962 2.441 . . . . 75.099999999999994 111.999 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.84 -31.15 71.38 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.93 0.892 . . . . 70.140000000000001 112.549 -175.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -65.47 -24.91 67.28 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.952 0.901 . . . . 73.319999999999993 113.006 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -117.37 4.14 12.54 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.042 0.537 . . . . 74.209999999999994 112.161 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.64 101.89 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.762 0.425 . . . . 73.319999999999993 110.836 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 66.13 32.66 8.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.862 1.265 . . . . 73.5 111.98 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 t -61.1 135.75 57.86 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.907 -0.588 . . . . 75.0 111.044 172.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.16 -49.03 79.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.952 0.901 . . . . 74.200000000000003 110.618 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.16 -48.95 67.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.059 0.943 . . . . 72.099999999999994 112.202 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.53 -42.99 84.01 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.708 -0.678 . . . . 75.340000000000003 111.698 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HB3' ' HZ1' ' A' ' 96' ' ' LYS . 8.3 mtpm? -62.59 -37.38 85.98 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.759 0.423 . . . . 73.5 111.696 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -64.71 -37.15 86.6 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.143 0.577 . . . . 74.099999999999994 111.723 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.1 tp -71.74 -36.14 70.35 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.057 0.943 . . . . 73.030000000000001 111.651 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 97.7 mt-30 -69.0 -41.69 77.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.041 0.936 . . . . 75.209999999999994 111.497 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.18 -38.06 89.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 73.430000000000007 110.859 172.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.462 ' HB2' ' HH ' ' A' ' 49' ' ' TYR . 76.2 t80 -64.92 -44.22 90.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.044 0.538 . . . . 73.299999999999997 111.6 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.3 m -52.82 -42.58 65.26 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.179 0.592 . . . . 72.510000000000005 111.974 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.55 -51.01 70.35 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.568 0.747 . . . . 72.019999999999996 111.191 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.482 1.161 0 C-N-CA 123.966 0.906 . . . . 71.5 112.986 -170.475 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 111.995 0.368 . . . . 73.519999999999996 111.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 39.9 mtpt -61.94 -43.23 99.28 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.367 0.506 . . . . 72.120000000000005 112.367 177.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HZ3' ' HG3' ' A' ' 59' ' ' GLU . 38.5 ttpt -60.87 -46.27 91.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.29 0.236 . . . . 74.120000000000005 111.142 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -49.65 -48.64 49.2 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.825 0.85 . . . . 75.420000000000002 111.516 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.62 95.75 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.911 -0.586 . . . . 61.240000000000002 112.278 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.89 -33.6 74.5 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.931 0.892 . . . . 75.019999999999996 112.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 92.7 mt -71.19 -49.39 44.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.965 0.506 . . . . 64.439999999999998 111.338 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.653 HG12 ' HB2' ' A' ' 46' ' ' ALA . 54.7 mt -60.85 -31.96 50.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 CA-C-N 115.307 -0.861 . . . . 73.340000000000003 110.73 174.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -61.52 -46.7 88.86 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.831 0.853 . . . . 74.319999999999993 111.534 171.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HB2' HD13 ' A' ' 65' ' ' LEU . 48.2 mt-30 -69.37 -22.62 63.71 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 112.681 0.623 . . . . 74.310000000000002 112.681 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.0 p -75.88 -12.91 60.24 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.242 0.217 . . . . 54.329999999999998 111.186 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.71 -16.8 37.83 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.627 0.771 . . . . 73.540000000000006 112.342 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -106.88 111.94 24.68 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.917 -0.771 . . . . 72.329999999999998 108.917 172.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.39 154.64 37.04 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.491 1.117 . . . . 74.129999999999995 109.169 -177.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.44 73.29 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 113.736 0.254 . . . . 71.129999999999995 113.736 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 37' ' ' GLU . 20.5 pt -137.61 154.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.838 0.855 . . . . 73.099999999999994 112.051 -175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.76 -24.93 61.02 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.438 0.695 . . . . 73.430000000000007 111.69 174.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HB2' HD11 ' A' ' 35' ' ' ILE . 28.4 mm-40 -55.22 -54.61 41.17 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.177 0.591 . . . . 74.510000000000005 111.803 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -75.27 -30.6 60.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.417 0.687 . . . . 72.450000000000003 112.103 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.22 -49.87 75.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.058 0.543 . . . . 65.310000000000002 111.503 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.32 -36.51 80.35 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.705 0.802 . . . . 74.430000000000007 111.448 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -64.16 -55.52 21.23 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 115.202 -0.908 . . . . 61.240000000000002 111.628 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 HD11 HD12 ' A' ' 72' ' ' ILE . 67.8 mt -74.98 -36.75 62.02 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.183 0.808 . . . . 72.319999999999993 113.183 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 m -68.09 -40.38 82.67 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.774 0.43 . . . . 70.310000000000002 111.425 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.08 88.63 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 116.408 -0.36 . . . . 75.239999999999995 112.557 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.76 -33.69 74.52 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.112 0.965 . . . . 74.430000000000007 110.585 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.665 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.81 -41.58 64.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.457 0.703 . . . . 74.409999999999997 111.884 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.45 58.73 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.689 -0.687 . . . . 75.409999999999997 112.555 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.26 -57.73 2.42 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.711 0.634 . . . . 75.209999999999994 112.711 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -82.76 -40.64 20.21 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.369 1.248 . . . . 75.420000000000002 114.369 -167.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.7 mp -57.29 -22.18 39.94 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 113.574 0.953 . . . . 73.409999999999997 113.574 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.61 -40.89 98.38 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.979 0.912 . . . . 71.430000000000007 111.106 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -105.11 -10.4 17.17 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 124.137 0.975 . . . . 74.140000000000001 112.748 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.635 ' SD ' HD22 ' A' ' 58' ' ' LEU . 51.0 ttm -74.73 143.08 44.28 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.336 1.054 . . . . 74.329999999999998 112.648 -172.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.91 158.61 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.41 0.684 . . . . 74.109999999999999 112.333 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.75 -49.69 57.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.064 1.346 . . . . 73.109999999999999 112.572 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.94 -41.71 99.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.851 -1.068 . . . . 61.240000000000002 112.384 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.481 0.712 . . . . 72.25 111.628 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.635 HD22 ' SD ' ' A' ' 53' ' ' MET . 82.1 mt -62.15 -37.55 85.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.488 0.715 . . . . 74.239999999999995 111.346 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' HG3' ' HZ3' ' A' ' 22' ' ' LYS . 43.8 mt-10 -74.26 -27.98 61.0 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.843 0.457 . . . . 71.239999999999995 111.787 174.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.88 -39.47 83.69 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 116.28 -0.418 . . . . 72.329999999999998 110.216 171.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.41 -35.25 79.83 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.345 0.658 . . . . 74.540000000000006 110.84 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' A' ' 65' ' ' LEU . 15.2 t70 -59.45 -43.06 93.24 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.076 0.551 . . . . 71.319999999999993 109.999 173.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -59.86 -38.74 83.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.473 0.709 . . . . 64.120000000000005 111.599 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.01 -33.36 75.64 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.501 0.72 . . . . 73.430000000000007 111.063 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 29' ' ' GLN . 41.8 mt -73.8 -21.11 60.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.826 0.85 . . . . 73.019999999999996 111.697 174.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.21 -1.02 57.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.314 0.646 . . . . 73.340000000000003 111.819 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.14 158.94 17.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.121 0.569 . . . . 72.109999999999999 111.358 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.39 133.61 42.46 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.553 0.741 . . . . 74.430000000000007 110.224 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.4 p30 -46.25 -52.56 12.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.408 1.262 . . . . 63.439999999999998 114.408 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -52.05 -46.84 65.23 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.242 0.46 . . . . 73.319999999999993 112.242 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.484 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 9.4 m-20 -56.78 -54.92 40.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.17 0.588 . . . . 75.099999999999994 111.214 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 HD12 HD11 ' A' ' 42' ' ' LEU . 60.7 mt -51.44 -44.63 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 124.458 1.103 . . . . 70.340000000000003 112.065 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.16 -44.07 66.26 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.56 -0.746 . . . . 71.209999999999994 111.602 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -75.7 -20.62 58.25 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.949 0.722 . . . . 74.540000000000006 112.949 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.689 ' HB3' HD11 ' A' ' 95' ' ' LEU . 44.1 m0 -71.84 -46.79 56.84 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.021 0.439 . . . . 75.230000000000004 110.147 170.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 102' ' ' SER . . . -61.72 -49.59 75.84 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.018 -0.992 . . . . 54.020000000000003 111.674 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.7 p -76.09 1.95 14.21 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.617 0.767 . . . . 75.439999999999998 112.56 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 64.99 25.69 12.69 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.671 1.188 . . . . 74.040000000000006 112.298 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.51 -72.75 0.14 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.028 0.931 . . . . 74.310000000000002 110.525 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 63.88 1.55 1.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.8 1.24 . . . . 73.120000000000005 113.938 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -79.17 -59.09 2.91 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.909 0.883 . . . . 74.200000000000003 110.65 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 t -87.38 -33.14 19.23 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 115.323 -0.853 . . . . 70.299999999999997 111.826 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.6 m -122.5 93.31 48.56 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.438 0.695 . . . . 62.219999999999999 110.237 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.23 162.47 41.68 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.19 2.593 . . . . 70.349999999999994 113.22 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 tp -92.32 123.31 62.72 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.017 0.527 . . . . 74.200000000000003 111.976 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.672 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 6.8 Cg_exo -75.65 159.4 39.04 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.896 2.397 . . . . 72.430000000000007 112.839 170.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -28.24 69.57 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.266 1.026 . . . . 71.409999999999997 112.723 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.672 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.8 ptmt -56.7 -41.31 77.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.073 0.949 . . . . 73.200000000000003 112.438 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -96.34 -18.3 20.06 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.395 0.517 . . . . 75.310000000000002 112.395 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.7 59.71 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.832 0.853 . . . . 74.340000000000003 113.137 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -111.71 5.75 19.4 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.932 0.893 . . . . 71.150000000000006 112.473 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.3 t -81.77 129.13 34.63 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.452 0.701 . . . . 73.549999999999997 111.34 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 47.1 mtpt -69.67 -37.54 76.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.775 0.43 . . . . 73.239999999999995 111.191 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 tp -49.83 -45.77 50.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.078 0.951 . . . . 72.400000000000006 111.53 177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 75' ' ' TRP . 21.6 tp -59.59 -46.17 89.73 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.807 -1.088 . . . . 71.420000000000002 111.767 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.0 -29.0 65.97 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.64 0.776 . . . . 75.400000000000006 111.889 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 15.8 mm-40 -72.5 -34.62 67.76 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.561 0.744 . . . . 71.329999999999998 110.679 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.97 -36.97 78.49 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.109 0.964 . . . . 75.349999999999994 111.189 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.65 -35.08 79.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.735 0.814 . . . . 74.239999999999995 111.699 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -62.38 -55.74 25.04 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.847 -0.615 . . . . 72.329999999999998 109.757 168.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.18 -35.97 74.51 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.912 0.708 . . . . 74.439999999999998 112.912 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.449 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 85.1 p -55.93 -37.94 69.63 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.229 0.612 . . . . 70.329999999999998 112.562 175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.67 -36.51 28.7 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.289 0.636 . . . . 72.540000000000006 110.991 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 123.517 0.727 . . . . 72.299999999999997 112.387 -175.563 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 . . . . . 0 CA--C 1.558 1.256 0 CA-C-O 120.652 0.263 . . . . 75.129999999999995 111.096 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -75.5 -47.35 27.42 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 122.937 0.495 . . . . 72.140000000000001 112.264 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -69.18 -47.42 64.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.624 0.602 . . . . 74.400000000000006 112.624 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -54.61 -51.13 66.32 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 117.814 0.279 . . . . 73.030000000000001 111.575 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.66 78.69 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.96 0.504 . . . . 74.420000000000002 111.966 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -65.08 -41.35 95.12 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.651 0.781 . . . . 72.010000000000005 111.911 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.96 -40.39 72.0 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.788 0.435 . . . . 75.019999999999996 111.976 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' A' ' 46' ' ' ALA . 65.2 mt -59.63 -32.83 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.703 0.763 . . . . 73.120000000000005 110.927 173.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.98 -41.84 58.74 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.159 1.384 . . . . 71.420000000000002 112.475 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.56 -19.13 58.22 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 123.503 0.721 . . . . 74.409999999999997 111.847 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.661 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 92.4 p -81.77 -37.66 26.83 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.609 0.719 . . . . 54.049999999999997 110.634 173.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.27 -16.67 58.88 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.006 -1.452 . . . . 74.439999999999998 110.704 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -83.54 113.49 20.84 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.142 -1.059 . . . . 71.319999999999993 108.142 161.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.08 171.02 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.792 0.437 . . . . 74.510000000000005 110.397 -166.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.49 -83.16 0.55 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 121.546 -0.359 . . . . 73.230000000000004 112.493 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 37' ' ' GLU . 44.3 pt -78.08 155.63 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 N-CA-C 112.434 0.531 . . . . 74.409999999999997 112.434 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.34 -24.22 60.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.109 0.964 . . . . 72.0 112.345 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' A' ' 35' ' ' ILE . 6.0 mm-40 -62.36 -51.95 65.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.999 0.519 . . . . 73.340000000000003 111.981 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.429 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 7.4 m -74.69 -29.2 61.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.881 0.472 . . . . 74.230000000000004 111.681 176.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.46 -59.79 4.22 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.762 0.825 . . . . 73.540000000000006 111.208 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.55 -34.21 77.72 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.669 0.788 . . . . 63.439999999999998 111.648 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.05 -57.96 10.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.768 0.827 . . . . 75.019999999999996 111.108 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 62.3 mt -74.33 -28.7 61.27 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.971 0.73 . . . . 71.319999999999993 112.971 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -64.78 -52.21 58.1 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 122.825 0.45 . . . . 74.310000000000002 111.376 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.71 -38.99 95.05 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 115.971 -0.559 . . . . 75.409999999999997 112.97 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.21 -41.87 89.63 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.016 0.927 . . . . 73.340000000000003 111.003 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -68.7 -47.81 65.45 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.271 -0.877 . . . . 72.140000000000001 112.406 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.91 68.7 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.196 0.598 . . . . 71.120000000000005 112.204 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -90.16 -55.24 3.69 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.652 0.781 . . . . 73.209999999999994 112.312 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.38 -45.79 21.55 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.563 0.745 . . . . 74.109999999999999 112.875 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -59.7 -25.71 65.01 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 113.042 0.756 . . . . 75.239999999999995 113.042 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -55.68 -32.09 62.96 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.284 1.034 . . . . 64.310000000000002 112.053 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -119.9 -9.11 9.73 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.0 0.92 . . . . 75.019999999999996 112.346 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.522 ' SD ' HD23 ' A' ' 58' ' ' LEU . 52.9 ttm -71.08 137.05 48.59 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.005 0.922 . . . . 64.329999999999998 112.318 -174.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.0 m120 -73.78 159.43 32.93 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.863 0.865 . . . . 74.409999999999997 112.756 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 58' ' ' LEU . 2.0 mp0 -50.16 -41.8 49.82 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.689 1.596 . . . . 73.25 112.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.67 -48.75 71.05 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 114.965 -1.016 . . . . 74.219999999999999 111.033 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.3 -31.34 70.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.721 -1.127 . . . . 74.109999999999999 111.897 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.522 HD23 ' SD ' ' A' ' 53' ' ' MET . 96.4 mt -59.55 -36.0 75.31 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.864 0.866 . . . . 74.140000000000001 112.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.46 -29.76 62.74 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.616 0.767 . . . . 74.439999999999998 111.275 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -69.72 -40.0 76.52 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.324 0.65 . . . . 60.119999999999997 110.208 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.444 ' HD1' HD11 ' A' ' 94' ' ' LEU . 47.0 t80 -61.46 -40.83 95.92 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.459 0.704 . . . . 74.120000000000005 111.889 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.47 -40.86 72.17 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.63 0.772 . . . . 64.040000000000006 111.525 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.7 m -58.17 -38.85 77.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.315 1.046 . . . . 73.239999999999995 112.398 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.41 -30.41 69.31 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.639 0.776 . . . . 74.230000000000004 111.855 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 14.2 mt -75.01 -15.38 60.66 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.198 0.599 . . . . 73.319999999999993 112.093 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.45 4.82 52.91 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.639 0.776 . . . . 71.349999999999994 111.676 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.81 166.66 13.41 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.756 0.822 . . . . 70.349999999999994 111.445 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.77 134.77 37.0 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.594 0.358 . . . . 71.099999999999994 110.89 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -50.11 -54.14 22.6 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.656 1.182 . . . . 72.030000000000001 113.885 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -56.64 -39.14 73.16 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.608 0.595 . . . . 75.120000000000005 112.608 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -66.73 -52.03 49.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.931 0.493 . . . . 70.430000000000007 110.944 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.441 HG23 HD13 ' A' ' 42' ' ' LEU . 66.3 mt -51.8 -41.93 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 124.286 1.035 . . . . 75.329999999999998 110.897 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.429 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 75.2 t80 -63.16 -47.73 81.44 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.991 -1.004 . . . . 75.25 111.734 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.486 ' HB2' ' HB2' ' A' ' 83' ' ' SER . 21.8 m-85 -76.87 -12.35 59.95 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.213 0.82 . . . . 74.430000000000007 113.213 -176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.449 ' HB3' HD11 ' A' ' 95' ' ' LEU . 28.6 m0 -88.1 -34.66 17.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.652 0.381 . . . . 74.120000000000005 110.886 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -53.54 19.51 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.15 0.58 . . . . 63.119999999999997 110.962 173.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 p -79.89 170.97 15.74 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.254 -0.885 . . . . 62.100000000000001 109.623 170.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -96.14 39.68 1.14 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 75.430000000000007 112.186 -169.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -110.68 51.22 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 65.439999999999998 110.821 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -67.45 -13.26 61.88 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.89 0.876 . . . . 71.409999999999997 112.369 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.594 ' HZ1' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -56.45 -32.71 65.2 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.349 1.06 . . . . 74.340000000000003 112.912 173.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -92.44 -56.58 2.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.921 0.391 . . . . 72.310000000000002 110.243 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 57.9 m -105.58 100.92 29.26 Favored Pre-proline 0 N--CA 1.483 1.224 0 C-N-CA 123.163 0.585 . . . . 61.109999999999999 110.726 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.67 144.23 71.21 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.371 2.047 . . . . 62.310000000000002 111.664 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.3 tp -78.49 118.65 73.6 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 122.595 0.358 . . . . 75.530000000000001 110.647 -176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.61 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.5 Cg_exo -75.97 166.83 27.29 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.201 2.6 . . . . 74.200000000000003 112.94 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.61 -36.99 72.52 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.146 0.979 . . . . 74.040000000000006 112.249 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.2 ptmt -62.06 -25.36 67.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.013 0.925 . . . . 74.299999999999997 113.374 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -112.82 -9.75 13.64 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.448 0.536 . . . . 61.119999999999997 112.448 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.59 72.32 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 112.851 0.685 . . . . 71.209999999999994 112.851 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -114.27 7.33 16.44 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.29 0.636 . . . . 73.530000000000001 112.006 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -84.05 130.35 34.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.289 0.566 . . . . 55.119999999999997 112.491 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -65.56 -38.69 90.28 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.097 0.959 . . . . 74.120000000000005 111.223 174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD11 ' HD1' ' A' ' 61' ' ' TYR . 52.5 tp -51.98 -41.17 61.94 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.352 1.061 . . . . 75.219999999999999 113.149 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 75' ' ' TRP . 52.2 tp -61.11 -43.28 99.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.302 0.641 . . . . 74.430000000000007 111.487 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -68.16 -34.02 75.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.803 0.841 . . . . 73.510000000000005 110.737 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.03 -40.94 99.22 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.953 0.901 . . . . 74.209999999999994 111.091 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.53 -33.05 64.54 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.546 0.738 . . . . 73.019999999999996 111.698 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -72.25 -42.15 65.97 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.387 0.675 . . . . 73.109999999999999 112.579 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.21 -32.49 72.75 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 117.844 0.293 . . . . 71.510000000000005 110.571 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -65.95 -46.64 77.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.248 0.619 . . . . 73.25 110.908 172.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -56.39 -23.84 40.73 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.41 0.684 . . . . 64.329999999999998 111.603 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -79.45 -69.81 0.55 Allowed 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 115.798 -0.637 . . . . 74.349999999999994 110.776 167.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 C-N-CA 124.25 1.02 . . . . 75.150000000000006 113.73 -166.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 CA--C 1.554 1.102 0 N-CA-C 112.489 0.551 . . . . 71.329999999999998 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -71.15 -38.48 72.22 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.146 0.425 . . . . 64.430000000000007 112.146 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 2.4 ttmp? -60.97 -54.06 49.6 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.74 0.305 . . . . 71.420000000000002 110.873 173.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 25.9 ttp180 -55.72 -50.22 70.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.904 0.882 . . . . 72.329999999999998 111.874 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.98 95.75 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.034 0.533 . . . . 62.509999999999998 111.729 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 35.3 ttm180 -62.02 -45.33 94.08 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.924 0.89 . . . . 75.439999999999998 112.139 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 50' ' ' LEU . 86.5 mt -70.91 -42.59 69.72 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 122.677 0.391 . . . . 73.030000000000001 111.774 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 46' ' ' ALA . 64.0 mt -61.23 -34.5 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 C-N-CA 123.097 0.559 . . . . 74.549999999999997 111.001 171.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 88.6 t80 -64.87 -46.81 80.27 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.274 0.63 . . . . 61.119999999999997 110.937 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.559 ' HB2' HD11 ' A' ' 65' ' ' LEU . 44.2 mt-30 -78.81 -10.35 59.76 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.814 0.672 . . . . 64.219999999999999 112.814 -177.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB3' ' HH ' ' A' ' 61' ' ' TYR . 89.2 p -85.87 -28.53 24.33 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.232 0.539 . . . . 71.420000000000002 109.96 166.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -80.93 -13.04 59.26 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 74.310000000000002 110.942 173.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -103.45 115.11 29.92 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 107.654 -1.239 . . . . 74.329999999999998 107.654 166.338 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.58 151.4 31.5 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 122.14 -0.35 . . . . 74.400000000000006 111.481 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -44.42 97.33 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 123.408 0.442 . . . . 54.210000000000001 113.877 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 pt -118.34 151.75 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 74.409999999999997 111.394 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.05 -27.6 63.77 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 124.181 0.992 . . . . 74.340000000000003 111.825 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 -52.32 64.12 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.062 0.545 . . . . 71.450000000000003 111.849 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.427 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 16.8 m -73.11 -28.01 62.02 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.232 0.613 . . . . 74.140000000000001 111.447 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.41 -58.91 5.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.156 0.983 . . . . 75.329999999999998 111.322 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.1 -33.34 75.27 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.233 0.613 . . . . 74.099999999999994 111.943 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.39 -55.43 34.91 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.933 0.893 . . . . 74.019999999999996 111.592 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 76.3 mt -74.23 -35.19 63.86 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.427 -0.806 . . . . 75.010000000000005 112.443 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -68.7 -41.98 78.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.218 0.451 . . . . 65.319999999999993 112.218 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.34 93.95 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 112.124 -0.39 . . . . 74.310000000000002 112.124 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -59.29 -41.11 88.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.105 0.962 . . . . 73.530000000000001 111.021 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.49 -44.5 67.56 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.623 0.769 . . . . 74.540000000000006 112.687 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.55 69.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.258 0.623 . . . . 74.310000000000002 112.412 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -90.38 -55.07 3.74 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.785 0.834 . . . . 72.219999999999999 112.574 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -78.77 -40.73 32.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.17 0.804 . . . . 75.239999999999995 113.17 -170.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.71 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.8 mp -62.58 -24.49 67.58 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 112.486 0.551 . . . . 75.109999999999999 112.486 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.89 -35.84 73.69 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.656 0.783 . . . . 75.409999999999997 111.76 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -116.62 -11.45 11.04 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.729 1.011 . . . . 72.25 113.729 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.1 mtm -77.89 140.59 39.33 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.533 0.606 . . . . 75.430000000000007 111.828 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.66 160.91 31.47 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.175 0.99 . . . . 71.439999999999998 109.09 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 39.0 tt0 -50.55 -42.05 54.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.049 0.94 . . . . 71.400000000000006 112.17 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.34 -42.44 73.85 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.241 1.016 . . . . 75.540000000000006 113.084 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -74.91 -34.45 62.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.561 0.744 . . . . 71.409999999999997 110.871 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.71 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -63.45 -31.09 72.15 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.61 -0.723 . . . . 75.239999999999995 112.509 170.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -67.66 -37.96 83.11 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.85 0.46 . . . . 74.439999999999998 110.541 174.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 94' ' ' LEU . 5.5 tp10 -66.0 -37.1 85.07 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.357 -0.838 . . . . 73.019999999999996 111.049 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.479 ' HH ' ' HB3' ' A' ' 30' ' ' SER . 54.3 t80 -65.22 -32.59 74.34 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.479 0.312 . . . . 72.140000000000001 111.771 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.87 -38.39 82.06 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.238 0.615 . . . . 61.399999999999999 110.771 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -59.89 -37.81 80.44 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.815 0.846 . . . . 65.310000000000002 111.696 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.84 -34.91 77.64 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.525 0.73 . . . . 72.129999999999995 111.17 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 29' ' ' GLN . 77.1 mt -73.3 -21.74 60.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.293 0.637 . . . . 74.329999999999998 111.625 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.55 -7.41 58.47 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.554 0.742 . . . . 72.239999999999995 112.025 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -88.96 177.28 6.71 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.431 0.692 . . . . 72.340000000000003 110.895 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 mt -92.59 137.87 31.99 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.493 0.717 . . . . 75.140000000000001 111.122 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -48.25 -55.05 11.53 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.998 1.11 . . . . 64.099999999999994 113.998 -176.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.68 -43.57 93.95 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 112.345 0.498 . . . . 72.409999999999997 112.345 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.131 0.572 . . . . 71.219999999999999 111.445 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.1 -43.06 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 124.205 1.002 . . . . 74.299999999999997 111.219 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.427 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 74.8 t80 -59.89 -45.81 91.32 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.224 1.01 . . . . 75.310000000000002 111.394 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.2 -23.15 51.48 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.84 0.681 . . . . 75.510000000000005 112.84 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.495 ' HB3' HD13 ' A' ' 95' ' ' LEU . 35.0 m0 -77.33 -40.4 44.32 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.878 0.371 . . . . 75.540000000000006 110.841 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.51 65.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.657 0.783 . . . . 73.140000000000001 111.644 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.4 p -74.81 -2.31 26.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.477 0.711 . . . . 72.010000000000005 112.679 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttm 64.24 30.63 13.46 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.869 1.268 . . . . 75.209999999999994 111.943 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.37 -71.73 0.19 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.529 0.732 . . . . 41.310000000000002 110.589 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.14 -12.96 0.22 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.983 1.475 . . . . 71.530000000000001 114.983 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -59.94 -54.66 43.49 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.786 1.234 . . . . 73.129999999999995 111.377 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -82.98 -38.65 22.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.383 -0.826 . . . . 73.239999999999995 110.877 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 m -128.79 91.62 42.57 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 114.695 -1.139 . . . . 51.539999999999999 110.246 -174.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -62.31 162.56 23.2 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.276 2.651 . . . . 74.140000000000001 113.619 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -92.28 125.53 56.05 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 123.495 0.718 . . . . 75.540000000000006 112.379 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.41 152.09 79.35 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 123.404 2.736 . . . . 75.329999999999998 112.891 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.52 -38.86 88.92 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.77 0.828 . . . . 61.439999999999998 112.774 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -70.1 -9.13 54.5 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 112.871 0.693 . . . . 72.010000000000005 112.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HB3' HD21 ' A' ' 95' ' ' LEU . 11.7 m95 -100.87 -33.38 10.24 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.079 0.4 . . . . 75.200000000000003 112.079 170.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.71 66.47 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.287 0.635 . . . . 73.409999999999997 112.585 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.56 18.27 22.15 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.506 0.722 . . . . 73.299999999999997 111.915 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.4 t -93.05 133.77 35.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.392 0.677 . . . . 70.030000000000001 110.858 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -69.69 -36.88 76.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.648 0.379 . . . . 74.200000000000003 110.838 174.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.493 HD22 ' HG3' ' A' ' 60' ' ' GLU . 39.8 tp -54.72 -45.11 74.02 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.719 0.808 . . . . 74.439999999999998 111.855 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 89' ' ' TRP . 26.3 tp -60.42 -43.92 96.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.847 -0.615 . . . . 75.510000000000005 111.261 176.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.41 -33.51 76.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.138 0.575 . . . . 73.409999999999997 111.69 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.08 -34.37 68.63 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.552 0.741 . . . . 72.439999999999998 110.917 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.05 -34.11 72.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.625 0.77 . . . . 74.450000000000003 110.603 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -69.4 -39.99 77.6 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.962 0.905 . . . . 72.5 111.161 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -57.74 -52.4 65.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.443 0.697 . . . . 73.219999999999999 111.013 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -64.56 -47.0 80.38 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.97 -0.559 . . . . 73.420000000000002 111.754 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -59.73 -38.52 81.94 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.857 0.688 . . . . 74.230000000000004 112.857 -173.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.42 -32.29 37.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.328 0.251 . . . . 75.319999999999993 111.492 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 N--CA 1.493 1.682 0 C-N-CA 123.807 0.843 . . . . 74.239999999999995 111.95 -176.828 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 111.668 0.247 . . . . 74.540000000000006 111.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -71.79 -29.49 64.52 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 119.059 -0.496 . . . . 75.129999999999995 112.126 173.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.6 -47.07 76.93 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 118.17 0.441 . . . . 73.540000000000006 110.039 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.61 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 14.1 ttp180 -56.1 -48.57 75.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.918 0.887 . . . . 74.120000000000005 111.156 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.341 0.656 . . . . 75.319999999999993 112.02 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -66.66 -38.13 86.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.906 0.882 . . . . 72.239999999999995 111.911 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 65' ' ' LEU . 95.6 mt -72.72 -37.87 67.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.875 0.47 . . . . 73.120000000000005 111.26 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.09 -31.9 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 122.837 0.455 . . . . 74.329999999999998 110.772 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -69.98 -46.51 65.05 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.497 0.719 . . . . 75.510000000000005 111.528 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' HD13 ' A' ' 65' ' ' LEU . 28.7 mt-30 -66.49 -31.28 71.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.431 0.692 . . . . 72.109999999999999 111.648 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.563 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 82.7 p -72.27 -44.64 62.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.329 0.652 . . . . 72.530000000000001 111.724 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -78.61 -0.9 31.68 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.505 -0.77 . . . . 75.129999999999995 111.994 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -110.66 110.04 20.55 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.421 -0.955 . . . . 75.019999999999996 108.421 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -149.65 -157.84 0.86 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.346 1.058 . . . . 75.239999999999995 109.991 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.18 2.88 10.6 Favored Glycine 0 N--CA 1.479 1.54 0 N-CA-C 114.193 0.437 . . . . 54.229999999999997 114.193 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 pt -146.71 120.66 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.032 0.933 . . . . 74.209999999999994 110.058 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.4 tp -55.22 -27.8 48.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.232 0.827 . . . . 75.430000000000007 113.232 -171.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.31 -52.1 63.32 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.78 0.432 . . . . 71.010000000000005 111.672 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 m -74.21 -31.44 62.63 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.78 0.432 . . . . 74.140000000000001 111.799 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.95 -54.79 38.21 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.875 0.47 . . . . 72.450000000000003 111.04 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.17 -33.61 70.17 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.17 0.588 . . . . 72.340000000000003 112.225 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.1 -58.46 8.54 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 123.461 0.704 . . . . 75.319999999999993 111.024 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 85.4 mt -74.31 -28.95 61.4 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.259 0.624 . . . . 74.239999999999995 112.601 -177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 t -64.83 -53.15 51.36 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.394 0.543 . . . . 61.439999999999998 111.164 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.95 98.33 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.45 -0.795 . . . . 74.200000000000003 112.591 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.95 -44.64 96.33 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.574 0.75 . . . . 75.319999999999993 111.183 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.0 -47.23 63.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.777 0.658 . . . . 72.030000000000001 112.777 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.1 68.46 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.951 0.501 . . . . 73.430000000000007 112.192 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -90.6 -54.86 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.408 1.083 . . . . 71.140000000000001 111.541 -177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -81.3 -42.82 20.04 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.237 1.015 . . . . 74.540000000000006 113.732 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.694 ' HG ' HD21 ' A' ' 58' ' ' LEU . 10.4 mp -59.09 -26.83 65.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.65 1.114 . . . . 75.349999999999994 112.1 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.27 -31.08 69.35 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.436 1.094 . . . . 72.450000000000003 111.987 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -27.51 16.5 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.714 0.635 . . . . 74.430000000000007 112.714 171.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.442 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 66.1 mtm -79.84 144.96 33.03 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.078 0.77 . . . . 74.030000000000001 113.078 -170.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 30.3 p30 -90.06 179.7 5.88 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.683 0.793 . . . . 72.120000000000005 111.405 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.42 -45.88 46.87 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.495 1.118 . . . . 74.319999999999993 112.53 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.12 -37.26 85.29 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.462 1.105 . . . . 62.420000000000002 112.05 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 39.3 mt-10 -75.8 -39.26 57.2 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.241 0.617 . . . . 61.229999999999997 111.811 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD21 ' HG ' ' A' ' 50' ' ' LEU . 14.0 mt -59.6 -39.72 85.13 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 113.148 0.796 . . . . 72.530000000000001 113.148 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.28 -28.46 59.78 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.112 -0.368 . . . . 72.030000000000001 111.477 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -65.09 -38.61 91.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 109.428 -0.582 . . . . 71.329999999999998 109.428 169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.71 -35.19 74.82 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.491 0.716 . . . . 74.25 112.26 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.93 -39.9 82.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.179 0.592 . . . . 74.5 110.437 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -61.86 -36.88 82.54 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.609 -0.723 . . . . 71.049999999999997 111.716 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 98' ' ' LEU . 39.6 tp -70.64 -31.55 68.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.276 0.63 . . . . 75.319999999999993 111.178 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 26' ' ' LEU . 86.7 mt -73.23 -25.66 60.82 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.598 0.359 . . . . 61.030000000000001 111.495 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -78.26 -4.1 46.17 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.263 0.625 . . . . 65.340000000000003 111.61 171.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -87.31 173.27 9.27 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.596 0.712 . . . . 73.319999999999993 112.346 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.0 mt -82.91 135.81 34.79 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.645 -1.161 . . . . 74.540000000000006 112.315 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.84 -64.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 125.742 1.617 . . . . 74.340000000000003 113.858 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -64.61 -39.61 94.02 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 112.854 0.687 . . . . 75.230000000000004 112.854 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.25 -43.04 99.74 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.964 0.505 . . . . 73.439999999999998 111.303 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.29 -44.83 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 C-N-CA 123.766 0.826 . . . . 71.530000000000001 111.411 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -65.07 -40.05 94.14 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.626 -0.715 . . . . 74.099999999999994 111.547 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.63 -25.85 59.5 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.525 0.565 . . . . 73.120000000000005 112.525 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' HB3' HD12 ' A' ' 95' ' ' LEU . 19.7 m0 -80.32 -34.68 36.52 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.576 0.35 . . . . 75.109999999999999 110.796 174.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.437 0.695 . . . . 74.109999999999999 111.155 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.2 p -90.54 -172.23 3.34 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.139 -0.937 . . . . 75.010000000000005 109.838 170.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -102.22 31.75 3.83 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.611 -0.68 . . . . 74.299999999999997 111.299 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.43 41.16 1.04 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.077 0.951 . . . . 75.239999999999995 111.287 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.49 -17.04 63.57 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.793 0.837 . . . . 74.549999999999997 111.844 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.75 -47.41 86.45 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.668 0.787 . . . . 74.140000000000001 110.744 167.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.45 -48.47 40.69 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.524 0.73 . . . . 55.240000000000002 111.31 -175.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -128.93 116.66 19.13 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 123.365 0.666 . . . . 75.25 110.129 174.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.6 145.55 58.43 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.481 2.121 . . . . 74.129999999999995 112.572 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.2 123.31 84.79 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 123.044 0.537 . . . . 72.439999999999998 111.717 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.11 149.23 76.51 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.001 2.467 . . . . 74.430000000000007 112.384 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.71 -33.32 73.82 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.917 0.887 . . . . 74.329999999999998 112.759 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -58.01 -29.46 65.31 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.769 0.828 . . . . 75.420000000000002 112.966 175.006 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.93 -24.57 14.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.995 0.518 . . . . 75.340000000000003 111.434 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.96 63.6 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.69 0.796 . . . . 75.140000000000001 112.631 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.16 7.17 15.28 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.853 0.861 . . . . 65.209999999999994 112.549 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 p -90.73 135.13 33.92 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.801 0.441 . . . . 70.319999999999993 111.367 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -70.17 -37.03 75.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 122.903 0.481 . . . . 74.129999999999995 111.203 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.15 -44.49 67.84 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.966 0.906 . . . . 65.040000000000006 112.402 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 75' ' ' TRP . 37.6 tp -55.54 -45.51 77.2 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.759 -0.655 . . . . 73.129999999999995 111.512 176.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -67.17 -34.05 76.71 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.867 -0.606 . . . . 75.430000000000007 111.114 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.27 -37.42 85.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.74 . . . . 71.540000000000006 111.329 173.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 64' ' ' LEU . 45.0 tp -67.5 -39.87 85.16 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.943 0.897 . . . . 74.099999999999994 110.699 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.54 -43.37 90.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.231 1.012 . . . . 73.349999999999994 111.652 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.48 -49.89 74.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.965 0.506 . . . . 72.219999999999999 110.53 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.71 -36.16 80.13 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.367 0.267 . . . . 70.310000000000002 111.531 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 t -56.18 -42.31 76.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.046 0.538 . . . . 74.310000000000002 112.079 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.96 -29.04 35.44 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.709 0.262 . . . . 74.019999999999996 111.709 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 112.642 0.608 . . . . 72.319999999999993 112.642 -179.521 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 112.124 0.416 . . . . 75.439999999999998 112.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.04 -44.76 88.02 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.989 0.516 . . . . 64.430000000000007 112.192 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -61.35 -50.43 72.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.827 0.451 . . . . 75.420000000000002 111.094 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -57.07 -48.36 78.76 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.698 0.799 . . . . 72.420000000000002 111.395 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.44 79.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.214 0.606 . . . . 74.239999999999995 111.638 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -67.61 -40.46 84.71 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.775 0.83 . . . . 75.030000000000001 112.33 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 58' ' ' LEU . 31.0 mt -72.73 -40.72 65.86 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 122.104 -0.373 . . . . 74.299999999999997 111.525 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 46' ' ' ALA . 82.0 mt -58.47 -39.45 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 123.919 0.887 . . . . 72.340000000000003 110.687 171.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -60.8 -55.5 32.34 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.127 0.971 . . . . 75.540000000000006 111.72 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 65' ' ' LEU . 45.3 mt-30 -68.27 -24.04 64.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.747 0.819 . . . . 64.109999999999999 113.101 -174.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 93.7 p -73.02 -29.47 63.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.912 0.386 . . . . 74.150000000000006 111.061 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 67.9 mtp180 -85.13 -19.93 31.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.736 -0.666 . . . . 74.129999999999995 111.682 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -86.15 106.58 17.37 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.906 -1.146 . . . . 74.519999999999996 107.906 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -145.87 171.75 14.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.472 0.709 . . . . 74.430000000000007 110.254 -173.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.81 -47.33 56.12 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 115.668 -0.696 . . . . 75.319999999999993 112.408 169.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 37' ' ' GLU . 32.9 pt -109.27 139.17 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-O 121.502 0.668 . . . . 75.230000000000004 112.096 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -11.87 60.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.987 0.915 . . . . 74.430000000000007 112.072 173.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' HB2' HD11 ' A' ' 35' ' ' ILE . 18.0 mm-40 -57.66 -50.51 72.94 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.411 0.685 . . . . 75.200000000000003 110.677 172.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.6 m -72.66 -28.19 62.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.797 0.839 . . . . 72.230000000000004 111.857 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -48.69 69.41 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.886 0.474 . . . . 73.5 110.872 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -58.21 -34.1 70.03 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.349 0.66 . . . . 75.019999999999996 112.483 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -72.56 -59.41 2.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.367 0.667 . . . . 75.099999999999994 111.793 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.618 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 67.6 mt -74.98 -25.19 58.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.992 0.917 . . . . 71.329999999999998 113.397 -172.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 t -65.2 -52.19 56.32 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 122.956 0.502 . . . . 74.540000000000006 111.49 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.26 94.74 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.999 -0.546 . . . . 71.239999999999995 113.073 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.75 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.68 0.792 . . . . 73.329999999999998 111.501 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -72.17 -45.96 58.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.976 0.511 . . . . 64.230000000000004 112.369 -175.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.08 72.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.221 0.608 . . . . 74.340000000000003 112.106 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -87.19 -54.99 4.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.779 0.832 . . . . 75.040000000000006 112.285 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.81 -49.95 16.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.127 0.571 . . . . 72.120000000000005 112.172 -173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 9.2 mp -60.89 -23.96 65.61 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 113.072 0.767 . . . . 71.109999999999999 113.072 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -55.76 -33.46 64.33 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.453 0.701 . . . . 75.329999999999998 111.607 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -121.81 -1.51 9.42 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.096 0.958 . . . . 74.120000000000005 112.496 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.582 ' SD ' HD21 ' A' ' 58' ' ' LEU . 53.1 ttm -76.91 138.76 39.92 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.725 0.81 . . . . 72.129999999999995 112.486 -174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.52 165.94 13.5 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.188 0.995 . . . . 75.319999999999993 110.821 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 20.3 mt-10 -59.42 -36.47 75.94 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.558 0.948 . . . . 75.040000000000006 113.558 -173.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.4 pt-20 -54.91 -44.95 74.64 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.959 0.904 . . . . 71.200000000000003 112.05 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 26.3 mt-10 -76.21 -32.99 59.25 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.85 0.86 . . . . 75.409999999999997 111.107 176.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 26' ' ' LEU . 88.5 mt -63.74 -29.24 70.48 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.958 0.903 . . . . 75.120000000000005 112.591 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 71.2 mm-40 -64.96 -44.15 90.34 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.67 0.747 . . . . 63.219999999999999 110.44 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -71.12 -33.45 70.13 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.027 -0.988 . . . . 74.409999999999997 110.64 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -68.01 -35.13 77.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.172 0.589 . . . . 71.340000000000003 111.77 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.99 -42.79 99.94 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.69 0.396 . . . . 70.239999999999995 110.084 174.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -57.42 -31.96 66.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.588 0.755 . . . . 50.32 112.056 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.0 tp -70.46 -35.46 73.34 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.395 0.678 . . . . 73.230000000000004 111.429 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 29' ' ' GLN . 20.8 mt -65.19 -33.19 75.42 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.394 0.678 . . . . 73.319999999999993 110.329 175.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 66' ' ' ASN . 0.8 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.143 0.977 . . . . 75.340000000000003 112.465 178.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.73 175.53 9.86 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.58 0.752 . . . . 72.349999999999994 111.948 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.03 135.85 36.06 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.753 0.421 . . . . 74.329999999999998 110.821 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -47.51 67.66 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.089 1.356 . . . . 62.009999999999998 114.492 -172.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -53.84 -49.22 68.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.862 0.465 . . . . 75.129999999999995 111.943 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.35 -44.27 92.0 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.504 0.721 . . . . 61.340000000000003 111.482 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.2 mt -52.04 -46.67 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 124.058 0.943 . . . . 74.530000000000001 111.188 175.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -68.49 -38.82 81.33 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.421 -0.809 . . . . 74.120000000000005 112.08 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -73.11 -23.41 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.499 0.555 . . . . 75.129999999999995 112.499 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -83.18 -34.45 25.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.029 0.532 . . . . 73.200000000000003 110.774 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.68 77.84 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.428 0.691 . . . . 34.520000000000003 112.021 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -97.44 175.91 6.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.84 0.856 . . . . 53.299999999999997 109.829 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -89.0 65.21 7.43 Favored 'General case' 0 CA--C 1.559 1.294 0 O-C-N 121.802 -0.561 . . . . 74.310000000000002 109.616 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -127.84 41.32 3.53 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.402 1.081 . . . . 75.540000000000006 109.638 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.38 -26.38 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.146 0.979 . . . . 72.5 112.457 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.61 ' HZ1' ' HB2' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -74.45 -20.85 59.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.286 0.235 . . . . 72.319999999999993 111.624 174.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -79.61 -54.48 5.84 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 74.340000000000003 109.354 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.5 m -124.19 107.38 30.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 123.821 0.848 . . . . 72.519999999999996 109.479 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.09 135.64 60.08 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.068 2.512 . . . . 74.140000000000001 113.014 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.73 123.87 89.75 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 122.841 0.456 . . . . 71.549999999999997 110.932 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.83 162.34 14.07 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.457 2.105 . . . . 73.319999999999993 112.165 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.28 -34.12 71.9 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.889 0.876 . . . . 75.319999999999993 112.826 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.68 63.52 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.694 0.798 . . . . 73.140000000000001 112.749 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -106.29 -23.3 12.59 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.207 0.817 . . . . 75.510000000000005 113.207 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.26 68.97 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.85 0.86 . . . . 73.430000000000007 112.536 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.581 HD21 ' H ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -98.6 0.67 45.31 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.044 0.938 . . . . 74.239999999999995 113.425 179.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -73.67 137.99 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.425 0.898 . . . . 74.109999999999999 113.425 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.478 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 11.3 mmpt? -65.29 -48.75 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.502 -0.772 . . . . 72.239999999999995 110.031 170.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.88 -43.5 69.64 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.18 1.392 . . . . 75.430000000000007 113.456 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.93 -43.93 94.65 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.333 -0.394 . . . . 75.140000000000001 111.768 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -70.95 -30.91 67.33 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.273 -0.421 . . . . 73.239999999999995 111.333 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 75.1 mm-40 -60.9 -46.83 89.09 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.186 0.517 . . . . 74.340000000000003 109.827 169.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.42 -38.91 81.67 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.691 1.196 . . . . 70.450000000000003 112.213 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -66.88 -50.81 61.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.559 0.744 . . . . 74.540000000000006 112.301 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.2 -24.05 61.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.111 -0.495 . . . . 71.129999999999995 111.553 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -74.08 -46.44 42.98 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.83 0.452 . . . . 74.319999999999993 111.34 169.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -57.38 -50.99 71.21 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.756 0.823 . . . . 75.129999999999995 112.347 -173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.06 -22.57 63.06 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 73.5 112.848 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 113.172 0.804 . . . . 74.329999999999998 113.172 -177.105 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.554 1.1 0 CA-C-O 120.511 0.196 . . . . 72.140000000000001 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -72.36 -25.33 61.48 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.135 0.42 . . . . 75.319999999999993 112.135 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 33.4 ttmt -65.05 -51.52 61.05 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.844 0.293 . . . . 75.519999999999996 110.454 172.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' HA ' HD23 ' A' ' 50' ' ' LEU . 30.5 mtm180 -51.22 -52.02 48.48 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.674 0.609 . . . . 74.299999999999997 111.5 173.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.01 80.96 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.283 0.633 . . . . 73.140000000000001 111.951 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -64.91 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.662 1.185 . . . . 71.209999999999994 112.54 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.8 mt -79.45 -41.97 26.39 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 122.04 -0.412 . . . . 72.310000000000002 111.897 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.645 HG12 ' HB3' ' A' ' 46' ' ' ALA . 58.4 mt -59.95 -28.8 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.801 0.81 . . . . 72.129999999999995 110.942 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.83 -48.02 60.57 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.312 1.045 . . . . 74.439999999999998 111.812 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.684 ' HB2' HD11 ' A' ' 65' ' ' LEU . 42.7 mt-30 -75.77 -24.1 55.99 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 112.171 0.434 . . . . 75.549999999999997 112.171 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 94.6 p -68.73 -36.01 77.85 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.909 0.484 . . . . 73.120000000000005 111.88 -178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.54 -1.28 55.6 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 115.615 -0.72 . . . . 75.530000000000001 112.31 177.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -83.3 110.69 18.32 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.392 -0.966 . . . . 73.430000000000007 108.392 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.575 ' NE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -150.9 152.77 34.13 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.287 0.635 . . . . 74.450000000000003 111.783 -170.791 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.45 -25.56 60.89 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.021 -0.536 . . . . 70.400000000000006 112.948 171.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -129.33 153.19 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 123.865 0.866 . . . . 73.430000000000007 112.002 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 tp -72.11 -27.45 62.64 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.688 -0.687 . . . . 71.420000000000002 111.732 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' A' ' 35' ' ' ILE . 43.3 mm-40 -56.64 -52.71 63.84 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.398 0.518 . . . . 75.049999999999997 112.398 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.508 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 4.4 m -74.4 -27.76 60.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.914 0.486 . . . . 72.040000000000006 111.917 177.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.29 -51.25 70.75 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.656 0.382 . . . . 72.310000000000002 111.433 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.5 -28.76 69.53 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.678 0.791 . . . . 71.150000000000006 111.547 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.9 tp -72.33 -60.7 2.1 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.878 0.871 . . . . 62.100000000000001 111.767 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.674 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 66.9 mt -75.99 -39.19 56.38 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.755 1.02 . . . . 74.430000000000007 113.755 -171.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.9 t -63.15 -44.86 94.35 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 118.241 0.473 . . . . 73.299999999999997 111.438 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.4 77.45 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 116.152 -0.476 . . . . 71.209999999999994 113.318 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.19 -39.63 79.44 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.774 0.83 . . . . 70.439999999999998 110.646 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.785 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.29 -37.01 74.73 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.115 -0.948 . . . . 61.109999999999999 112.021 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.55 -25.14 61.26 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.841 0.682 . . . . 75.239999999999995 112.841 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -92.81 -55.75 3.25 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 112.732 0.642 . . . . 74.25 112.732 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.99 -47.18 12.99 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.99 1.107 . . . . 74.430000000000007 113.99 -167.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.785 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.3 mp -54.58 -32.55 58.78 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.528 0.936 . . . . 75.329999999999998 113.528 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -55.89 -33.38 64.58 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 74.430000000000007 112.549 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -119.22 -0.51 11.01 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.79 0.836 . . . . 73.519999999999996 112.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.522 ' SD ' HD23 ' A' ' 58' ' ' LEU . 49.0 ttm -74.99 140.13 43.41 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.68 0.792 . . . . 73.420000000000002 111.993 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -80.53 161.83 24.62 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.454 0.702 . . . . 71.349999999999994 111.478 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 43.7 tt0 -61.21 -27.68 68.61 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.471 0.708 . . . . 74.129999999999995 111.74 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -54.45 -50.12 68.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.185 0.994 . . . . 74.200000000000003 111.922 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.8 -29.29 40.27 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.234 0.827 . . . . 73.310000000000002 113.234 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.522 HD23 ' SD ' ' A' ' 53' ' ' MET . 86.8 mt -63.45 -37.45 87.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 119.179 0.9 . . . . 74.510000000000005 112.263 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.87 -31.39 68.06 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 120.739 0.305 . . . . 75.549999999999997 111.079 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.82 -36.62 67.56 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.512 0.725 . . . . 75.420000000000002 110.763 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.51 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 57.5 t80 -69.27 -37.03 77.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.69 0.796 . . . . 74.299999999999997 110.869 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.74 -37.86 83.2 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.795 -0.639 . . . . 73.239999999999995 110.564 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -64.21 -38.03 89.61 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.539 0.736 . . . . 64.209999999999994 111.804 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.79 -28.61 69.14 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.761 0.825 . . . . 74.200000000000003 111.2 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 29' ' ' GLN . 62.9 mt -78.37 -0.57 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.413 0.685 . . . . 74.230000000000004 112.517 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -107.81 9.18 28.99 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.527 0.731 . . . . 60.109999999999999 111.903 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -85.46 -163.06 0.79 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.172 0.589 . . . . 71.129999999999995 110.567 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -110.83 137.95 47.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.522 0.729 . . . . 74.450000000000003 110.37 172.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.575 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -45.95 -54.33 8.47 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.857 1.058 . . . . 74.430000000000007 113.857 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.94 -47.61 67.95 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.582 0.586 . . . . 75.409999999999997 112.582 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.96 -48.21 74.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.525 0.33 . . . . 74.409999999999997 111.264 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.03 -42.73 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 123.992 0.917 . . . . 71.140000000000001 111.219 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 69.8 t80 -65.75 -42.82 90.47 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.077 -0.965 . . . . 71.120000000000005 111.711 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -74.57 -26.72 60.13 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.216 0.45 . . . . 72.319999999999993 112.216 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.455 ' HB3' HD13 ' A' ' 95' ' ' LEU . 38.5 m0 -72.05 -44.02 64.0 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.879 0.371 . . . . 60.119999999999997 110.606 174.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -51.59 51.17 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.814 0.845 . . . . 73.140000000000001 112.856 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.9 p -72.19 -10.78 60.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.902 0.481 . . . . 75.530000000000001 112.296 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' HE2' ' A' ' 80' ' ' PHE . 11.3 tmtt? 62.88 57.81 1.63 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.618 1.167 . . . . 75.239999999999995 109.208 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -134.93 65.79 1.55 Allowed 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 114.024 -1.444 . . . . 73.409999999999997 108.661 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HE2' ' HG2' ' A' ' 78' ' ' LYS . 67.6 m-85 -80.95 17.91 1.12 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.082 -0.963 . . . . 74.209999999999994 113.058 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -23.76 54.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.668 0.988 . . . . 73.310000000000002 113.668 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -131.45 -30.02 1.72 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.633 0.773 . . . . 73.230000000000004 111.449 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 95.41 49.12 Favored Pre-proline 0 N--CA 1.489 1.478 0 C-N-CA 123.43 0.692 . . . . 65.140000000000001 111.017 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.0 168.44 20.55 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.16 2.573 . . . . 74.409999999999997 113.359 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.7 tp -89.59 121.46 69.14 Favored Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 123.246 0.618 . . . . 72.420000000000002 111.725 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -72.28 174.13 11.97 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.681 2.921 . . . . 74.010000000000005 113.767 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.11 -48.03 66.59 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.236 1.014 . . . . 70.530000000000001 113.037 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -67.62 -16.14 64.01 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.549 0.944 . . . . 73.340000000000003 113.549 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -100.85 -17.51 16.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.858 0.463 . . . . 75.129999999999995 111.355 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.96 111.21 2.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.03 0.532 . . . . 75.430000000000007 110.056 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 69.81 23.86 5.51 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.206 1.403 . . . . 54.030000000000001 112.722 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -81.19 129.64 34.67 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.875 0.47 . . . . 71.140000000000001 109.893 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 26.0 ttpp -67.61 -38.31 83.78 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 119.208 -0.425 . . . . 75.409999999999997 111.005 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.9 tp -52.1 -42.48 63.28 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.986 0.914 . . . . 74.349999999999994 111.729 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 75' ' ' TRP . 62.6 tp -57.85 -50.76 72.23 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.892 -1.049 . . . . 73.109999999999999 111.42 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -65.79 -31.45 72.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.936 0.494 . . . . 75.319999999999993 112.088 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 13.2 mm100 -61.75 -43.34 99.05 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.598 0.713 . . . . 73.400000000000006 109.888 171.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -71.43 -34.93 70.73 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.909 1.284 . . . . 73.340000000000003 111.742 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.35 -43.1 78.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.012 0.925 . . . . 75.540000000000006 111.439 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -65.09 -38.49 90.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.952 0.501 . . . . 75.349999999999994 110.858 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.96 -40.81 96.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.636 0.375 . . . . 70.010000000000005 111.553 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.8 t -58.4 -29.1 65.79 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.05 0.54 . . . . 74.510000000000005 112.105 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.44 -13.45 60.39 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.696 0.798 . . . . 74.349999999999994 112.156 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 124.315 1.046 . . . . 52.32 112.019 178.666 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.507 0.194 . . . . 74.120000000000005 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -64.85 -39.7 93.98 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 116.515 -0.311 . . . . 73.450000000000003 111.391 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -64.46 -40.96 96.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.516 0.726 . . . . 75.430000000000007 111.406 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 47.3 ttp180 -56.16 -49.06 75.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.604 0.762 . . . . 72.140000000000001 111.024 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.93 95.95 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.97 -0.559 . . . . 62.119999999999997 111.969 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -64.19 -36.55 84.41 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.258 1.023 . . . . 74.219999999999999 111.976 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HB2' HD22 ' A' ' 50' ' ' LEU . 69.6 mt -73.16 -43.21 61.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.53 0.332 . . . . 70.219999999999999 111.681 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG13 HD21 ' A' ' 50' ' ' LEU . 65.4 mt -60.32 -37.03 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.252 0.548 . . . . 72.129999999999995 110.209 173.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -61.33 -48.76 79.86 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.078 0.951 . . . . 74.120000000000005 111.454 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -69.62 -19.08 63.64 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.774 0.829 . . . . 75.409999999999997 112.43 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 m -76.46 -33.46 58.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.434 0.693 . . . . 71.109999999999999 110.561 172.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -82.39 -14.88 54.49 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.08 0.952 . . . . 75.120000000000005 111.584 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -85.98 110.7 19.65 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.513 -0.921 . . . . 63.310000000000002 108.513 166.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.33 -178.09 6.04 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 75.340000000000003 109.699 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.33 -18.43 5.81 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.079 -0.51 . . . . 71.519999999999996 112.857 168.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.78 133.77 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 124.039 0.936 . . . . 71.129999999999995 111.174 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.23 -33.99 77.07 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.122 0.969 . . . . 74.219999999999999 112.472 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -60.21 -46.11 90.87 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.229 0.538 . . . . 74.400000000000006 111.166 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -73.75 -31.93 63.59 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.714 -0.675 . . . . 71.400000000000006 111.752 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.59 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 34.8 t70 -65.34 -53.92 36.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.226 1.01 . . . . 64.0 111.437 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.33 -40.85 75.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.941 0.896 . . . . 72.439999999999998 111.428 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -58.94 5.18 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.971 0.908 . . . . 70.450000000000003 112.523 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD13 ' HD2' ' A' ' 33' ' ' ARG . 76.3 mt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 112.886 0.699 . . . . 74.219999999999999 112.886 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.3 m -64.87 -42.64 94.67 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.375 0.27 . . . . 72.420000000000002 111.652 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.98 80.96 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 112.749 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -60.78 -39.34 88.49 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.736 0.814 . . . . 72.25 110.612 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -69.16 -39.15 78.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.401 0.68 . . . . 75.409999999999997 112.118 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.86 92.65 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.617 -0.72 . . . . 72.439999999999998 111.943 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.84 -55.92 3.73 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.391 0.676 . . . . 73.329999999999998 112.644 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.409 ' HB3' ' HE1' ' A' ' 53' ' ' MET . 46.9 m-85 -78.77 -31.74 46.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.379 1.251 . . . . 73.129999999999995 114.379 -166.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 46' ' ' ALA . 10.7 mp -64.51 -19.89 65.87 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.822 0.737 . . . . 74.310000000000002 112.534 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.72 -37.02 70.68 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 122.942 0.497 . . . . 73.150000000000006 112.047 172.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -92.09 -24.86 19.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.543 0.942 . . . . 65.439999999999998 113.543 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.409 ' HE1' ' HB3' ' A' ' 49' ' ' TYR . 68.8 mtm -84.28 141.13 31.17 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.24 0.83 . . . . 74.530000000000001 113.24 -171.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -86.99 167.22 14.44 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.393 1.077 . . . . 75.200000000000003 109.348 171.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.57 -31.92 62.57 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.459 0.704 . . . . 72.400000000000006 112.659 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -52.88 -47.59 67.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 123.638 0.775 . . . . 73.049999999999997 112.089 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.542 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 30.4 mt-10 -78.02 -34.32 50.7 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.269 1.027 . . . . 71.420000000000002 111.23 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.497 HD21 ' HG ' ' A' ' 50' ' ' LEU . 35.9 mt -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.236 1.014 . . . . 75.040000000000006 113.642 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -75.38 -29.84 59.96 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.644 0.377 . . . . 74.420000000000002 111.121 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -68.63 -35.43 77.27 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.294 0.569 . . . . 72.519999999999996 109.579 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.4 t80 -68.3 -36.26 79.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.181 0.592 . . . . 72.310000000000002 111.571 176.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.88 -37.97 86.56 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.792 0.437 . . . . 71.120000000000005 110.187 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 58.6 m -64.84 -30.07 71.06 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.685 0.794 . . . . 71.439999999999998 112.103 173.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.49 HD23 HD22 ' A' ' 98' ' ' LEU . 45.9 tp -75.45 -37.32 60.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.326 0.65 . . . . 72.150000000000006 111.244 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 71.1 mt -68.09 -28.24 67.17 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.79 0.805 . . . . 74.049999999999997 110.303 173.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.63 -20.1 64.45 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.92 1.288 . . . . 74.349999999999994 111.999 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 63' ' ' SER . 19.8 mm-40 -80.0 172.74 13.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 113.761 1.022 . . . . 75.430000000000007 113.761 -175.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.69 126.25 30.68 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.22 -1.355 . . . . 74.310000000000002 111.347 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.91 -66.73 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 115.09 1.515 . . . . 63.229999999999997 115.09 -171.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -53.71 -40.5 66.1 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.063 0.392 . . . . 74.030000000000001 111.625 -177.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 -42.91 93.86 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.761 -0.654 . . . . 72.010000000000005 110.957 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.402 HD12 HD11 ' A' ' 42' ' ' LEU . 75.1 mt -53.59 -45.47 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 C-N-CA 123.918 0.887 . . . . 72.140000000000001 111.073 174.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -66.89 -40.83 87.88 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.225 -0.898 . . . . 74.439999999999998 111.917 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -76.68 -29.06 56.18 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.465 0.543 . . . . 74.439999999999998 112.465 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -75.22 -32.38 61.13 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.959 0.504 . . . . 74.420000000000002 110.742 173.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.57 76.1 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.431 0.692 . . . . 71.409999999999997 111.821 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -95.83 172.76 7.82 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.271 0.628 . . . . 75.239999999999995 110.675 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -89.9 69.37 7.48 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 108.069 -1.086 . . . . 73.430000000000007 108.069 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -147.8 77.93 1.44 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.956 0.884 . . . . 73.340000000000003 109.918 -175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -103.72 0.4 30.48 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 115.338 -0.847 . . . . 64.329999999999998 112.164 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 -18.87 60.87 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.046 0.538 . . . . 74.450000000000003 112.124 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -106.75 -35.2 7.05 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.774 0.83 . . . . 74.439999999999998 111.551 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.8 m -130.88 97.12 21.1 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 123.63 0.772 . . . . 73.019999999999996 110.142 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.77 146.82 96.37 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.046 2.497 . . . . 64.129999999999995 112.454 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.17 117.51 68.88 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 122.873 0.469 . . . . 72.530000000000001 111.034 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.527 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 5.7 Cg_exo -76.68 163.78 31.16 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.079 2.519 . . . . 75.109999999999999 111.932 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.7 -38.05 71.76 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.833 0.853 . . . . 72.510000000000005 112.181 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -59.44 -28.46 66.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.232 1.013 . . . . 75.209999999999994 113.652 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -114.44 -4.87 12.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 122.079 -0.388 . . . . 73.109999999999999 111.951 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.32 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.801 0.841 . . . . 73.340000000000003 112.493 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -121.75 12.23 10.58 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.969 0.908 . . . . 74.019999999999996 111.808 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -77.37 119.39 20.93 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.226 0.611 . . . . 75.430000000000007 111.771 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.65 -32.33 70.94 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.245 0.34 . . . . 70.230000000000004 110.857 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.04 -43.35 81.89 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.487 0.715 . . . . 72.209999999999994 111.534 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.61 -39.85 95.41 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.843 -0.617 . . . . 74.140000000000001 111.085 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.36 -37.73 88.39 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.011 0.524 . . . . 74.420000000000002 110.897 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -64.11 -38.63 91.74 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.989 0.916 . . . . 74.310000000000002 111.056 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.49 HD22 HD23 ' A' ' 64' ' ' LEU . 35.9 tp -69.7 -33.67 72.84 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.309 1.044 . . . . 75.329999999999998 111.067 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.46 -41.33 69.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.858 0.863 . . . . 74.219999999999999 111.422 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.85 -40.62 95.96 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.544 0.738 . . . . 64.299999999999997 111.179 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.06 -49.61 55.85 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.893 -0.594 . . . . 74.540000000000006 111.356 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -56.59 -40.29 75.01 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.701 0.801 . . . . 71.109999999999999 112.748 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.74 -29.79 51.3 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.116 0.566 . . . . 73.019999999999996 111.898 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 N--CA 1.492 1.626 0 C-N-CA 123.377 0.671 . . . . 70.120000000000005 112.024 179.298 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 CA--C 1.557 1.247 0 N-CA-C 111.605 0.224 . . . . 74.109999999999999 111.605 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -74.69 -30.26 61.5 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.62 0.368 . . . . 75.400000000000006 111.64 173.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 26' ' ' LEU . 35.3 tttp -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.919 0.487 . . . . 73.239999999999995 110.267 170.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -52.81 -50.74 63.06 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.604 1.162 . . . . 65.450000000000003 111.428 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.56 84.97 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.273 0.629 . . . . 63.009999999999998 112.134 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -71.41 -33.35 69.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.263 0.625 . . . . 73.409999999999997 112.029 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD12 ' HE3' ' A' ' 22' ' ' LYS . 93.4 mt -66.0 -45.36 81.87 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.408 -0.182 . . . . 73.150000000000006 110.519 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 46' ' ' ALA . 70.8 mt -56.94 -39.05 62.89 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 123.709 0.804 . . . . 74.439999999999998 111.116 173.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -65.17 -39.07 92.42 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.525 1.13 . . . . 74.109999999999999 112.118 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.454 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.7 mt-30 -79.95 -16.38 55.37 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.884 0.874 . . . . 72.319999999999993 111.77 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -72.75 -35.99 67.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.818 0.847 . . . . 74.439999999999998 109.983 169.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -80.16 -10.32 59.76 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.765 -1.107 . . . . 63.109999999999999 112.59 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 59.7 mttm -101.73 112.74 25.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.023 -0.732 . . . . 75.219999999999999 109.023 167.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -150.74 158.83 44.61 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.558 0.743 . . . . 74.299999999999997 110.54 -173.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.9 -31.34 69.9 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 116.455 -0.339 . . . . 75.150000000000006 113.322 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.55 HD11 ' HB2' ' A' ' 37' ' ' GLU . 41.8 pt -130.84 151.62 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.29 0.636 . . . . 71.219999999999999 111.893 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.8 -19.43 60.76 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.965 0.906 . . . . 74.010000000000005 112.722 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB2' HD11 ' A' ' 35' ' ' ILE . 10.6 mp0 -64.64 -52.78 55.6 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.204 0.602 . . . . 75.340000000000003 110.651 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.6 m -73.26 -28.79 62.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.354 0.662 . . . . 73.239999999999995 111.257 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.04 -48.59 75.72 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.703 0.401 . . . . 74.430000000000007 111.319 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.82 -40.09 83.13 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.147 0.579 . . . . 75.010000000000005 111.689 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.73 -58.39 7.64 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.35 1.06 . . . . 75.239999999999995 112.012 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.73 -37.2 59.58 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.828 1.047 . . . . 74.120000000000005 113.828 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 m -65.31 -42.26 93.21 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 118.284 0.493 . . . . 70.420000000000002 111.717 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -41.03 84.36 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 116.556 -0.293 . . . . 72.430000000000007 112.5 173.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -62.04 -35.27 78.1 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.039 0.936 . . . . 74.439999999999998 110.63 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -74.16 -40.56 62.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.239 0.616 . . . . 73.430000000000007 111.822 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.62 87.71 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 116.221 -0.445 . . . . 61.229999999999997 111.934 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -82.36 -55.5 4.47 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.559 0.744 . . . . 73.340000000000003 112.59 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HH ' ' HB2' ' A' ' 101' ' ' PHE . 36.2 m-85 -78.12 -49.6 13.6 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 118.796 -0.621 . . . . 73.120000000000005 112.528 -171.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.9 mp -60.75 -22.54 64.14 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.562 0.949 . . . . 74.420000000000002 113.562 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -64.1 -33.37 75.61 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 122.367 0.267 . . . . 72.209999999999994 111.556 174.719 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.27 12.06 12.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.598 0.759 . . . . 74.430000000000007 112.284 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.592 ' SD ' HD23 ' A' ' 58' ' ' LEU . 55.6 ttm -83.61 133.32 34.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.436 0.694 . . . . 74.140000000000001 111.293 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -74.91 160.82 30.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.776 0.43 . . . . 74.209999999999994 111.748 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.86 -39.49 77.92 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.465 1.106 . . . . 74.200000000000003 111.656 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.8 -41.7 95.59 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.147 0.979 . . . . 72.109999999999999 112.585 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.37 -33.53 73.2 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.209999999999994 111.65 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.592 HD23 ' SD ' ' A' ' 53' ' ' MET . 84.6 mt -58.42 -29.22 65.94 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.058 0.943 . . . . 72.099999999999994 112.394 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.93 -36.98 72.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.451 0.7 . . . . 74.329999999999998 112.165 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.93 -38.21 72.9 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.053 0.454 . . . . 74.5 110.529 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -68.84 -33.52 73.96 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.095 -0.502 . . . . 74.109999999999999 111.37 175.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.87 -44.94 86.95 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.878 0.871 . . . . 72.400000000000006 109.353 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m -57.25 -43.92 83.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.939 0.896 . . . . 74.319999999999993 112.225 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.38 -31.67 72.37 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.97 0.908 . . . . 74.340000000000003 111.852 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 29' ' ' GLN . 91.5 mt -75.12 -15.5 60.59 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 113.007 0.744 . . . . 73.140000000000001 113.007 178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -88.11 -14.85 37.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.911 0.484 . . . . 62.399999999999999 111.675 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.78 157.41 28.46 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.862 0.465 . . . . 62.299999999999997 112.179 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.62 124.48 23.37 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.742 0.817 . . . . 73.319999999999993 110.203 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.609 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.3 p30 -46.33 -56.22 6.15 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.655 1.182 . . . . 74.510000000000005 113.966 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -50.89 -47.37 60.62 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.204 0.602 . . . . 75.209999999999994 112.205 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.42 -49.06 78.65 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.59 0.756 . . . . 71.430000000000007 111.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -54.59 -40.01 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 123.878 0.871 . . . . 73.239999999999995 111.185 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.63 -43.23 69.66 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.645 -0.707 . . . . 72.140000000000001 111.544 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -66.4 -34.54 78.19 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.288 0.635 . . . . 73.310000000000002 112.236 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -70.5 -40.43 73.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.754 0.422 . . . . 74.420000000000002 110.741 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.89 69.99 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.493 0.717 . . . . 74.530000000000001 112.401 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.19 -1.82 44.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.594 0.757 . . . . 75.0 112.154 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 65.85 14.51 9.6 Favored 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 125.201 1.4 . . . . 71.510000000000005 112.403 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.49 84.58 6.78 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.576 0.751 . . . . 73.420000000000002 110.036 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -91.13 14.65 13.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.212 0.605 . . . . 74.430000000000007 112.304 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -56.99 -46.97 81.88 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.407 1.083 . . . . 53.530000000000001 112.422 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t -109.44 -26.39 10.02 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.155 0.582 . . . . 74.450000000000003 112.419 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -124.44 95.76 42.6 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 123.455 0.702 . . . . 75.030000000000001 110.443 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.67 160.6 35.69 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.26 2.64 . . . . 72.030000000000001 113.359 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 86' ' ' PRO . 34.3 tp -91.85 123.21 63.83 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 122.797 0.439 . . . . 74.329999999999998 111.465 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HD2' HD11 ' A' ' 85' ' ' LEU . 86.5 Cg_endo -81.58 157.96 19.12 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 123.03 2.487 . . . . 64.129999999999995 112.543 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 -33.03 70.79 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.188 0.995 . . . . 73.239999999999995 113.1 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -56.33 -39.1 72.27 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.77 0.828 . . . . 72.310000000000002 112.073 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.422 ' HB3' HD21 ' A' ' 95' ' ' LEU . 83.4 m95 -97.4 -26.39 14.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.856 0.463 . . . . 74.209999999999994 111.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.62 89.0 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.274 0.559 . . . . 75.129999999999995 111.668 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.7 11.82 38.74 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.615 0.766 . . . . 73.5 112.385 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.3 p -92.69 139.82 30.17 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.675 0.39 . . . . 65.219999999999999 110.898 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -70.87 -36.51 72.84 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.669 0.788 . . . . 74.239999999999995 111.382 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.39 -45.94 87.34 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.22 1.008 . . . . 75.239999999999995 112.735 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.759 ' HG ' HE22 ' A' ' 99' ' ' GLN . 40.0 tp -58.75 -43.75 90.34 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.047 0.451 . . . . 74.439999999999998 110.88 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.14 -27.43 66.44 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.793 0.437 . . . . 75.010000000000005 111.456 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.72 -36.07 82.57 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.437 0.695 . . . . 74.019999999999996 111.337 167.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.27 -43.49 77.66 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.257 1.023 . . . . 72.239999999999995 112.425 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.759 HE22 ' HG ' ' A' ' 95' ' ' LEU . 1.4 mp0 -63.49 -46.76 84.65 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.169 0.433 . . . . 64.519999999999996 112.169 176.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.25 -24.15 63.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 111.631 0.234 . . . . 72.430000000000007 111.631 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.507 ' HB2' ' HH ' ' A' ' 49' ' ' TYR . 66.7 t80 -73.14 -39.85 65.37 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.578 0.351 . . . . 75.109999999999999 110.941 169.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.8 t -57.15 -30.79 64.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.581 0.752 . . . . 72.120000000000005 111.427 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -66.14 -49.87 65.96 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.715 0.806 . . . . 74.329999999999998 110.738 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' HD21 ' A' ' 104' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 C-N-CA 124.381 1.072 . . . . 71.120000000000005 112.876 -176.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.666 0.617 . . . . 75.209999999999994 112.666 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -66.83 -41.56 87.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 119.429 -0.319 . . . . 73.549999999999997 111.103 171.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.1 ttpt -58.16 -53.44 58.21 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.234 0.334 . . . . 75.430000000000007 110.648 172.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.54 -53.23 54.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.883 0.873 . . . . 72.340000000000003 112.314 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.237 0.615 . . . . 71.0 111.943 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.96 -31.54 69.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.61 0.764 . . . . 74.409999999999997 112.025 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 97.5 mt -70.01 -44.19 69.82 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.429 0.292 . . . . 74.040000000000006 110.844 174.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.477 HG12 ' HB2' ' A' ' 46' ' ' ALA . 66.1 mt -60.35 -32.32 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 C-N-CA 123.234 0.614 . . . . 72.340000000000003 110.744 172.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.57 -53.61 39.5 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.514 0.726 . . . . 73.319999999999993 110.805 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.5 mt-30 -66.19 -18.08 65.13 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 71.510000000000005 112.509 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.537 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 83.0 p -83.38 -46.19 12.84 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.45 0.7 . . . . 74.400000000000006 111.883 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -80.45 1.41 29.35 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.545 -0.752 . . . . 72.430000000000007 111.68 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -115.84 109.48 17.69 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 109.053 -0.721 . . . . 71.420000000000002 109.053 168.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' A' ' 42' ' ' LEU . 5.9 mmp_? -135.63 -171.37 2.83 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 124.553 1.141 . . . . 74.439999999999998 110.046 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.74 -26.87 25.87 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-N 116.359 -0.382 . . . . 70.519999999999996 112.401 168.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.6 pt -126.27 141.6 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.629 0.771 . . . . 71.299999999999997 111.678 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -21.79 64.43 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.828 0.851 . . . . 72.209999999999994 111.172 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.32 -52.38 64.94 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.762 0.825 . . . . 74.400000000000006 111.026 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 m -74.29 -28.28 61.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.66 -0.7 . . . . 74.319999999999993 111.708 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.82 -45.21 74.4 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 118.286 0.494 . . . . 74.109999999999999 111.284 169.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.41 -41.49 94.02 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.838 0.455 . . . . 72.439999999999998 111.649 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -65.53 -60.54 2.83 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.417 -0.81 . . . . 74.319999999999993 111.815 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 33' ' ' ARG . 69.1 mt -76.2 -34.39 59.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.882 1.067 . . . . 75.109999999999999 113.882 -172.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -67.46 -44.62 78.16 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 118.921 0.782 . . . . 64.420000000000002 111.004 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.07 99.75 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 116.097 -0.501 . . . . 65.150000000000006 112.303 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.81 -35.35 77.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.17 0.988 . . . . 73.230000000000004 111.007 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -73.16 -48.45 35.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.976 0.51 . . . . 75.140000000000001 112.292 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.11 61.57 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.0 -0.546 . . . . 75.209999999999994 112.011 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -92.59 -56.59 2.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.307 0.643 . . . . 75.120000000000005 112.104 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -81.81 -41.24 21.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 113.865 1.061 . . . . 65.040000000000006 113.865 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -62.96 -23.61 67.5 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.558 1.072 . . . . 74.140000000000001 112.539 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.78 -34.36 77.66 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.624 0.77 . . . . 73.530000000000001 111.325 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -22.17 16.83 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.032 0.753 . . . . 75.329999999999998 113.032 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.9 mtm -80.62 143.6 32.99 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.727 0.775 . . . . 74.349999999999994 112.487 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -100.73 -177.7 3.55 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.506 -1.224 . . . . 73.200000000000003 110.098 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.69 -46.28 40.26 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.522 1.129 . . . . 74.319999999999993 113.163 -171.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.68 -45.73 81.75 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.997 0.919 . . . . 72.310000000000002 112.263 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.07 -38.11 75.66 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.457 -0.792 . . . . 75.549999999999997 111.698 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 HD23 ' HG ' ' A' ' 50' ' ' LEU . 45.1 mt -61.36 -46.7 89.1 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.502 0.927 . . . . 62.520000000000003 113.502 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.62 -27.91 66.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 122.039 -0.413 . . . . 74.430000000000007 111.836 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.17 -38.37 81.98 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.152 0.581 . . . . 70.409999999999997 110.316 170.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.551 ' HD1' HD12 ' A' ' 94' ' ' LEU . 38.3 t80 -62.41 -34.59 77.05 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.478 0.711 . . . . 73.099999999999994 112.47 178.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.07 -46.26 75.42 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.267 0.627 . . . . 71.120000000000005 111.592 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.6 m -55.5 -38.2 68.85 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.875 0.87 . . . . 74.310000000000002 112.601 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.12 -34.33 76.18 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.717 0.807 . . . . 73.25 111.66 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.2 mt -71.47 -23.58 61.85 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.701 0.8 . . . . 72.319999999999993 111.966 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -80.33 -12.42 59.6 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.997 0.519 . . . . 73.549999999999997 111.831 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -79.78 161.37 25.74 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.12 0.568 . . . . 74.219999999999999 111.816 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.91 123.72 20.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.286 1.034 . . . . 73.310000000000002 109.608 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HA ' HD13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -50.18 -46.19 54.07 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 114.175 1.176 . . . . 71.5 114.175 -176.075 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -55.61 -48.49 74.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.658 0.383 . . . . 73.310000000000002 111.823 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.75 -47.49 84.46 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.421 0.688 . . . . 74.25 111.327 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 69' ' ' ASP . 78.5 mt -51.03 -43.62 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 C-N-CA 124.148 0.979 . . . . 74.430000000000007 111.148 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -71.3 -38.26 71.76 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 115.205 -0.907 . . . . 75.120000000000005 111.688 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.45 -21.41 49.14 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.814 0.672 . . . . 74.340000000000003 112.814 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -80.01 -38.67 31.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.844 0.457 . . . . 75.120000000000005 109.932 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.42 73.39 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.558 0.743 . . . . 72.040000000000006 111.512 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 p -104.61 -171.38 1.91 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.771 0.828 . . . . 74.140000000000001 110.726 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 78' ' ' LYS . 4.9 ttmp? -111.44 92.69 4.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.332 0.653 . . . . 73.239999999999995 109.48 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -127.12 -74.45 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.681 -0.859 . . . . 73.549999999999997 108.681 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 66.58 -4.11 0.78 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.145 1.378 . . . . 74.340000000000003 114.626 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.04 -59.0 2.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.551 0.74 . . . . 74.140000000000001 109.615 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.8 p -66.38 -40.52 89.77 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.341 1.056 . . . . 71.430000000000007 111.103 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m -143.42 92.74 6.55 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.71 1.204 . . . . 72.349999999999994 109.946 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.69 161.23 46.78 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.877 2.384 . . . . 74.530000000000001 113.161 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -85.73 121.6 73.22 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 122.955 0.502 . . . . 74.109999999999999 111.106 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.509 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 13.9 Cg_exo -72.76 153.96 53.91 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 123.142 2.561 . . . . 72.329999999999998 112.465 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.26 -34.39 72.19 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.583 1.153 . . . . 75.200000000000003 112.594 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 20.7 ptmt -56.12 -36.73 68.54 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.596 1.158 . . . . 74.450000000000003 113.38 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.404 ' HB3' HD22 ' A' ' 95' ' ' LEU . 88.2 m95 -92.14 -19.62 22.09 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.955 0.502 . . . . 74.230000000000004 112.168 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.0 67.15 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.534 0.734 . . . . 63.32 112.951 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.51 -21.45 14.75 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.369 0.668 . . . . 74.310000000000002 112.371 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.6 m -64.13 126.41 27.63 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.148 0.579 . . . . 63.43 112.454 -174.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 62.0 tttm -62.99 -35.24 79.54 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.079 0.552 . . . . 74.310000000000002 110.52 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' HD1' ' A' ' 61' ' ' TYR . 47.4 tp -50.28 -49.71 52.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.511 1.124 . . . . 74.230000000000004 113.086 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 89' ' ' TRP . 56.7 tp -61.76 -37.53 84.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 111.031 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.68 -37.53 87.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.763 0.425 . . . . 71.310000000000002 109.958 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 20.8 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.805 0.842 . . . . 74.109999999999999 110.767 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.84 -40.88 83.69 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.316 1.046 . . . . 73.299999999999997 111.389 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.2 -28.06 67.77 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.556 1.143 . . . . 74.430000000000007 112.181 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.45 -54.65 9.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.7 0.4 . . . . 70.519999999999996 110.807 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.43 -34.43 78.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.888 0.699 . . . . 71.439999999999998 112.888 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -51.55 -41.27 60.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.249 0.62 . . . . 61.049999999999997 111.44 176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.56 -32.43 36.64 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 115.418 -0.81 . . . . 75.439999999999998 111.354 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 104' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 C-N-CA 124.19 0.996 . . . . 75.219999999999999 113.337 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.768 0.318 . . . . 75.409999999999997 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.68 -32.24 65.65 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.141 0.576 . . . . 72.310000000000002 112.49 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -62.4 -52.04 65.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 120.949 0.404 . . . . 65.239999999999995 110.193 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -60.94 -41.28 95.96 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.435 -0.802 . . . . 74.430000000000007 110.916 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.92 78.15 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.269 0.628 . . . . 71.129999999999995 111.337 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 25.1 ttm180 -67.48 -40.58 85.26 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.614 0.766 . . . . 74.430000000000007 111.827 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.43 -45.75 68.41 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.916 0.389 . . . . 75.340000000000003 111.087 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' A' ' 46' ' ' ALA . 73.6 mt -60.76 -34.23 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.719 1.207 . . . . 75.319999999999993 111.254 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.11 -54.21 41.44 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.133 0.973 . . . . 72.129999999999995 111.248 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.583 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.0 mt-30 -68.48 -22.18 64.57 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 63.439999999999998 112.61 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.726 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.2 p -80.0 -27.5 39.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.973 0.509 . . . . 64.299999999999997 111.692 175.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.35 -16.27 37.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.97 0.508 . . . . 72.409999999999997 111.525 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -87.63 107.82 18.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.903 -1.147 . . . . 72.340000000000003 107.903 166.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' HD13 ' A' ' 42' ' ' LEU . 5.7 mmp_? -145.12 169.99 17.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.606 1.162 . . . . 71.219999999999999 109.022 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.42 -57.84 4.89 Favored Glycine 0 CA--C 1.541 1.688 0 CA-C-N 116.492 -0.322 . . . . 44.43 112.445 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 37' ' ' GLU . 32.8 pt -99.19 148.02 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.512 0.725 . . . . 70.439999999999998 112.385 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.4 mm? -74.03 -15.95 61.07 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.646 -0.706 . . . . 75.239999999999995 112.245 174.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' A' ' 35' ' ' ILE . 41.4 mt-10 -62.7 -48.75 77.92 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.214 0.531 . . . . 73.310000000000002 111.144 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.4 m -72.02 -34.3 68.71 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.339 0.656 . . . . 74.030000000000001 111.134 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 19.1 t70 -55.27 -55.28 33.2 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 123.229 0.611 . . . . 74.120000000000005 111.289 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.55 -39.39 73.34 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 123.847 0.859 . . . . 73.409999999999997 112.406 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.88 -57.03 13.36 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.652 -0.704 . . . . 72.099999999999994 111.51 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.726 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 77.2 mt -73.97 -25.46 59.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.95 0.9 . . . . 74.109999999999999 112.914 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -63.16 -49.96 72.28 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.622 0.769 . . . . 72.129999999999995 111.273 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.92 88.32 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 115.99 -0.55 . . . . 71.299999999999997 112.933 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.97 -44.32 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.842 0.857 . . . . 75.519999999999996 111.652 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB3' HG12 ' A' ' 27' ' ' ILE . . . -70.4 -44.71 67.41 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.079 0.551 . . . . 72.319999999999993 112.385 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -29.27 70.22 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.802 -0.636 . . . . 65.0 112.35 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -89.79 -55.39 3.65 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.562 0.745 . . . . 74.200000000000003 111.85 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.528 ' HH ' ' HB2' ' A' ' 101' ' ' PHE . 19.3 m-85 -74.28 -45.45 47.59 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.486 0.921 . . . . 75.209999999999994 113.486 -169.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD21 HG13 ' A' ' 27' ' ' ILE . 10.0 mp -61.87 -26.53 68.2 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.616 0.969 . . . . 73.200000000000003 113.616 -174.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.28 -43.73 85.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.795 0.438 . . . . 73.200000000000003 111.295 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -89.86 -18.6 25.89 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.137 0.575 . . . . 74.409999999999997 112.49 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.2 mtm -83.57 137.0 34.04 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.269 0.557 . . . . 71.530000000000001 111.54 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 m-20 -80.16 166.94 20.96 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.031 -0.986 . . . . 73.430000000000007 110.423 173.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' HA ' HD13 ' A' ' 58' ' ' LEU . 2.7 mp0 -56.94 -31.06 64.59 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.648 1.179 . . . . 74.209999999999994 112.173 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.34 -36.52 84.28 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.192 0.997 . . . . 74.329999999999998 110.918 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.04 -40.31 24.42 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.435 1.094 . . . . 72.340000000000003 112.189 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 54' ' ' ASN . 84.8 mt -56.08 -37.16 68.96 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 124.658 1.183 . . . . 72.510000000000005 114.05 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.71 -28.45 68.44 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.877 0.471 . . . . 62.020000000000003 112.061 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.79 -34.68 69.6 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.799 0.44 . . . . 75.25 110.47 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.96 -35.12 80.15 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.725 0.41 . . . . 73.409999999999997 111.553 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -32.74 70.78 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 123.79 0.836 . . . . 71.319999999999993 111.581 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -65.42 -36.6 84.42 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.493 0.717 . . . . 71.030000000000001 111.722 175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -69.35 -29.7 67.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.679 0.792 . . . . 74.540000000000006 112.005 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 29' ' ' GLN . 61.1 mt -66.88 -24.52 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.568 0.747 . . . . 74.340000000000003 112.108 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -77.22 -17.32 58.56 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.32 1.048 . . . . 74.430000000000007 111.987 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.58 157.99 23.26 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.373 0.669 . . . . 74.409999999999997 111.621 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.42 135.41 56.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.61 0.764 . . . . 73.239999999999995 109.697 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.97 -55.08 7.28 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.661 1.185 . . . . 73.530000000000001 111.975 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -54.4 -46.94 73.24 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.354 -0.839 . . . . 74.540000000000006 112.026 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -60.96 -47.86 84.46 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.381 0.672 . . . . 52.210000000000001 112.158 -179.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.427 HG23 HD11 ' A' ' 42' ' ' LEU . 77.6 mt -52.53 -46.94 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.537 0.735 . . . . 74.430000000000007 110.752 175.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.11 -39.58 82.74 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 115.026 -0.988 . . . . 73.219999999999999 111.823 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -76.4 -41.91 46.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.614 0.598 . . . . 73.239999999999995 112.614 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 71' ' ' ASP . 22.9 m0 -62.59 -37.33 85.81 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.144 0.497 . . . . 74.209999999999994 110.294 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' HB1' ' OG ' ' A' ' 102' ' ' SER . . . -63.67 -47.28 81.87 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.301 1.041 . . . . 71.019999999999996 112.326 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -81.64 0.4 38.73 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.52 0.728 . . . . 73.409999999999997 112.013 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 74.39 12.64 3.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.418 1.487 . . . . 75.420000000000002 112.431 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.33 86.68 7.34 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.869 0.868 . . . . 65.150000000000006 110.379 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -88.91 4.68 47.11 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.472 0.709 . . . . 74.340000000000003 112.896 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -64.02 -60.08 3.68 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.222 0.609 . . . . 72.230000000000004 111.793 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -80.78 -38.14 29.04 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.863 0.865 . . . . 74.219999999999999 111.868 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 m -114.92 96.5 44.97 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 123.8 0.84 . . . . 73.150000000000006 110.185 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.97 149.91 66.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.907 2.405 . . . . 54.520000000000003 112.28 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.9 tp -83.12 123.64 77.2 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.221 0.609 . . . . 74.099999999999994 111.78 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' HD1' ' A' ' 89' ' ' TRP . 24.4 Cg_exo -67.55 157.5 61.47 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.535 2.823 . . . . 74.530000000000001 112.825 169.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.82 -36.1 82.06 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.118 0.967 . . . . 74.209999999999994 112.784 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -60.12 -27.28 66.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.572 0.749 . . . . 72.409999999999997 112.74 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.403 ' HD1' ' HD2' ' A' ' 86' ' ' PRO . 49.0 m95 -96.06 -14.44 22.92 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.714 0.406 . . . . 74.010000000000005 112.072 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.82 102.85 0.13 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.824 0.45 . . . . 73.420000000000002 110.952 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 68.61 17.5 8.95 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.014 1.326 . . . . 75.450000000000003 113.233 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -66.71 137.66 56.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.215 0.606 . . . . 63.229999999999997 110.932 173.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -55.27 -49.81 71.12 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.068 0.547 . . . . 75.120000000000005 111.231 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -56.82 -42.4 79.54 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.488 0.715 . . . . 72.140000000000001 112.284 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 75' ' ' TRP . 31.7 tp -63.68 -43.58 96.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.267 -0.424 . . . . 73.019999999999996 111.246 178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -59.89 -46.14 90.29 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.231 0.612 . . . . 71.299999999999997 110.871 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.99 -37.79 83.71 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.148 0.979 . . . . 71.409999999999997 111.602 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.8 tp -68.98 -42.33 76.7 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.784 0.833 . . . . 73.420000000000002 111.248 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -65.93 -43.57 87.7 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.606 0.762 . . . . 74.409999999999997 111.584 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.26 -37.56 87.72 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.167 0.587 . . . . 74.140000000000001 110.992 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HB2' ' HH ' ' A' ' 49' ' ' TYR . 26.8 t80 -70.73 -42.94 69.87 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 111.741 0.274 . . . . 75.540000000000006 111.741 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.451 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 60.6 m -62.44 -38.0 88.05 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.152 0.797 . . . . 73.5 113.152 -174.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' HG3' ' ND2' ' A' ' 104' ' ' ASN . 11.0 pt-20 -81.63 -27.97 33.9 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.175 0.435 . . . . 74.549999999999997 112.175 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.442 ' ND2' ' HG3' ' A' ' 103' ' ' GLU . 65.8 m-80 . . . . . 0 CA--C 1.567 1.603 0 C-N-CA 123.403 0.681 . . . . 73.519999999999996 111.609 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.581 0.229 . . . . 70.540000000000006 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.18 165.44 15.33 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 114.91 0.724 . . . . 62.350000000000001 114.91 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -140.1 89.86 2.33 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.414 1.086 . . . . 73.340000000000003 109.041 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -82.95 70.87 10.04 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.653 0.781 . . . . 75.120000000000005 110.563 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -118.29 113.03 20.84 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.73 -0.841 . . . . 71.150000000000006 108.73 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -72.17 137.96 47.3 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.455 0.302 . . . . 72.310000000000002 111.273 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.31 154.26 28.32 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.306 0.642 . . . . 73.329999999999998 111.35 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -89.39 112.92 24.17 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.095 0.558 . . . . 74.200000000000003 110.355 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -139.83 148.85 42.74 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.24 0.616 . . . . 73.310000000000002 111.122 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -109.97 107.84 17.88 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.724 0.81 . . . . 63.32 109.754 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.92 77.94 2.16 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.28 1.038 . . . . 74.420000000000002 111.638 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -87.57 95.17 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 115.647 -0.706 . . . . 75.219999999999999 109.821 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -85.41 81.49 8.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.41 0.624 . . . . 74.530000000000001 110.197 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -137.24 137.82 39.47 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.696 0.798 . . . . 72.430000000000007 110.512 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.9 m -135.68 103.06 5.3 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.448 0.699 . . . . 74.400000000000006 110.549 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -130.79 76.3 1.71 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.206 -1.035 . . . . 63.420000000000002 108.206 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.04 160.93 21.75 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.107 0.963 . . . . 75.120000000000005 110.318 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.508 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 63.9 Cg_exo -54.37 138.05 72.65 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.577 2.185 . . . . 73.150000000000006 112.195 164.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -31.89 73.3 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.879 0.471 . . . . 71.430000000000007 111.706 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.03 -40.51 93.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.342 0.657 . . . . 74.540000000000006 111.74 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 92.2 mttt -67.68 -31.65 71.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.674 0.39 . . . . 72.140000000000001 111.968 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.45 -39.43 77.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.309 0.244 . . . . 72.420000000000002 111.038 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' HA ' HD23 ' A' ' 50' ' ' LEU . 54.2 mtt-85 -60.44 -46.19 90.95 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.801 0.441 . . . . 74.140000000000001 109.877 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.212 0.605 . . . . 71.120000000000005 111.788 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -65.35 -50.0 67.24 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.145 0.978 . . . . 74.010000000000005 112.108 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.93 -39.09 79.82 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.06 0.544 . . . . 73.540000000000006 111.595 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.673 HG13 HD21 ' A' ' 50' ' ' LEU . 93.9 mt -65.17 -36.13 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 123.779 0.832 . . . . 75.25 110.907 172.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.34 -48.03 77.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.419 0.688 . . . . 75.439999999999998 111.925 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -70.4 -25.02 63.04 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.391 0.677 . . . . 72.5 111.164 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -68.82 -32.24 71.8 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.067 0.947 . . . . 64.310000000000002 111.543 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.58 4.09 54.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.95 0.9 . . . . 73.150000000000006 111.808 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -98.9 111.32 23.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 107.689 -1.226 . . . . 73.109999999999999 107.689 161.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.607 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.63 152.33 37.7 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.886 0.875 . . . . 75.230000000000004 111.187 -167.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.0 -35.91 37.41 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-N 115.796 -0.638 . . . . 72.150000000000006 113.539 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG12 ' HB3' ' A' ' 69' ' ' ASP . 41.6 pt -124.38 151.78 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-N 117.319 0.56 . . . . 75.340000000000003 112.007 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.2 mm? -72.56 -25.26 61.29 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.021 0.928 . . . . 75.549999999999997 112.345 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.17 -51.35 66.77 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.044 0.45 . . . . 71.25 111.766 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' H ' HG13 ' A' ' 35' ' ' ILE . 30.7 m -72.83 -29.64 63.39 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.275 0.63 . . . . 62.409999999999997 111.254 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t70 -59.31 -54.68 44.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.012 0.525 . . . . 73.430000000000007 111.852 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.78 -38.32 90.18 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.582 0.753 . . . . 72.430000000000007 111.707 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.88 -59.68 5.03 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.81 0.844 . . . . 73.239999999999995 111.669 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 HD12 ' HD2' ' A' ' 33' ' ' ARG . 66.5 mt -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.958 0.725 . . . . 74.519999999999996 112.958 -176.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -48.14 75.86 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.622 0.647 . . . . 74.040000000000006 111.525 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.43 -40.17 79.69 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.57 -0.741 . . . . 64.310000000000002 112.745 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -62.34 -48.29 80.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.813 0.845 . . . . 72.540000000000006 111.643 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -66.1 -48.5 70.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.329 0.652 . . . . 61.340000000000003 112.095 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.19 67.09 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.72 -0.673 . . . . 65.319999999999993 112.38 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -91.07 -54.99 3.71 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.014 0.926 . . . . 75.219999999999999 112.499 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.03 -36.35 35.89 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.289 1.036 . . . . 75.109999999999999 113.104 -168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.718 ' HG ' HD22 ' A' ' 58' ' ' LEU . 8.5 mp -64.42 -22.38 66.94 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 118.628 0.649 . . . . 71.010000000000005 112.733 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -66.55 -43.94 83.7 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.764 0.425 . . . . 75.129999999999995 111.443 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -88.68 -24.1 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.997 0.74 . . . . 73.430000000000007 112.997 -175.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 63.0 mtm -82.59 143.55 30.95 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.053 0.761 . . . . 72.519999999999996 113.053 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -77.25 163.98 26.01 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.493 1.117 . . . . 73.400000000000006 109.893 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.52 -35.12 65.29 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 112.456 0.539 . . . . 74.519999999999996 112.456 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.99 -48.76 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.731 0.812 . . . . 72.450000000000003 111.361 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 27.5 mm-40 -65.31 -37.89 88.51 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.695 0.798 . . . . 73.109999999999999 111.725 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.718 HD22 ' HG ' ' A' ' 50' ' ' LEU . 24.2 mt -62.53 -29.01 70.25 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.705 0.802 . . . . 72.319999999999993 112.539 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.25 -31.76 55.25 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.444 0.697 . . . . 64.349999999999994 111.618 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.73 -35.9 81.19 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.174 0.511 . . . . 74.409999999999997 109.723 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -69.95 -34.17 73.07 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.843 -0.617 . . . . 74.019999999999996 111.425 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.61 -43.56 97.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.361 0.664 . . . . 54.32 109.721 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -58.57 -29.92 66.78 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.602 0.761 . . . . 71.099999999999994 112.46 173.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.16 -33.97 61.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.678 0.791 . . . . 63.200000000000003 111.581 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.94 -24.55 64.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.05 0.54 . . . . 75.319999999999993 112.201 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -74.2 -15.18 61.01 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.395 0.678 . . . . 74.310000000000002 112.376 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.7 160.56 18.81 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.168 0.587 . . . . 74.310000000000002 111.378 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.14 144.97 30.38 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 75.409999999999997 111.75 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.499 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.3 m-20 -40.52 -65.46 0.41 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.18 1.392 . . . . 74.450000000000003 114.289 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -62.99 -35.78 81.33 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.416 0.447 . . . . 73.510000000000005 112.202 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.05 -49.14 75.73 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.136 0.273 . . . . 52.030000000000001 110.78 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.06 -45.05 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.99 0.916 . . . . 72.209999999999994 111.121 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.38 -40.28 93.29 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.351 -0.841 . . . . 63.240000000000002 111.646 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.09 -40.56 71.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.954 0.502 . . . . 73.409999999999997 111.702 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.569 ' HB3' HD13 ' A' ' 95' ' ' LEU . 20.2 m0 -65.39 -35.99 82.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.8 0.333 . . . . 74.239999999999995 111.262 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.28 75.72 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.789 0.836 . . . . 74.040000000000006 112.416 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.8 p -85.3 -1.27 56.79 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.46 0.704 . . . . 74.450000000000003 112.18 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 69.82 19.04 7.26 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 125.07 1.348 . . . . 75.109999999999999 112.449 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -82.43 66.62 8.12 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 121.896 0.855 . . . . 72.400000000000006 109.949 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -76.22 -9.33 58.55 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.851 . . . . 75.049999999999997 111.975 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.09 -50.88 71.47 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.994 0.918 . . . . 72.120000000000005 111.093 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 m -76.37 -55.38 5.6 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.344 -0.389 . . . . 72.019999999999996 110.638 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -112.0 103.06 54.97 Favored Pre-proline 0 N--CA 1.487 1.388 0 C-N-CA 123.401 0.681 . . . . 74.430000000000007 110.538 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.56 148.05 83.49 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 122.982 2.454 . . . . 71.409999999999997 112.714 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.1 tp -81.25 118.45 72.35 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-O 119.297 -0.382 . . . . 75.239999999999995 111.739 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -72.1 165.22 33.27 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.345 2.697 . . . . 74.530000000000001 113.14 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.97 -46.03 85.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.106 0.962 . . . . 72.519999999999996 112.354 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -55.24 -24.24 26.77 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.359 0.874 . . . . 75.420000000000002 113.359 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -106.23 -23.3 12.61 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.562 0.579 . . . . 74.120000000000005 112.562 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.26 73.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.962 0.905 . . . . 63.350000000000001 112.73 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -111.4 11.8 21.52 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.132 0.573 . . . . 75.420000000000002 112.231 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -88.06 132.84 34.14 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.839 0.456 . . . . 75.310000000000002 111.923 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.07 -38.31 75.71 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 116.144 -0.48 . . . . 73.540000000000006 111.283 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.55 -43.31 75.71 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.823 0.849 . . . . 74.019999999999996 112.346 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 75' ' ' TRP . 16.0 tp -56.23 -48.64 76.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.37 0.605 . . . . 75.239999999999995 111.268 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.85 -32.32 73.51 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.085 -0.962 . . . . 73.400000000000006 111.166 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.82 -39.69 94.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.559 0.743 . . . . 74.519999999999996 110.724 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.9 tp -68.62 -37.19 79.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.11 0.964 . . . . 73.400000000000006 111.351 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.22 -45.99 68.47 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.263 0.625 . . . . 71.109999999999999 111.301 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.56 -23.97 66.29 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.812 0.845 . . . . 75.409999999999997 111.802 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -73.89 -47.8 35.49 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.885 0.474 . . . . 74.409999999999997 110.39 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.5 m -56.05 -37.98 70.0 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.941 0.896 . . . . 75.5 113.259 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.04 -33.07 73.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.851 0.46 . . . . 53.299999999999997 111.698 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -90.02 -77.27 0.4 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.011 0.524 . . . . 72.120000000000005 111.582 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' HZ2' ' HB2' ' A' ' 105' ' ' LYS . 10.4 mtmp? 45.65 -80.85 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.837 1.655 . . . . 74.420000000000002 113.482 -174.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -93.52 -2.42 54.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.729 0.812 . . . . 73.200000000000003 111.825 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.83 96.01 4.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.501 1.12 . . . . 62.140000000000001 110.248 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.73 -176.77 6.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.795 0.438 . . . . 71.510000000000005 111.034 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.489 1.48 0 C-N-CA 124.001 0.92 . . . . 75.349999999999994 111.567 177.709 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.942 0.401 . . . . 73.099999999999994 111.469 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.69 172.78 44.13 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-N 115.989 -0.55 . . . . 71.439999999999998 114.186 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -159.36 124.74 4.2 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.997 0.919 . . . . 74.540000000000006 110.112 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -154.71 79.52 1.08 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.181 0.515 . . . . 74.420000000000002 111.036 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -141.34 127.13 19.18 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.004 0.922 . . . . 74.040000000000006 110.646 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -155.76 128.85 8.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.406 0.682 . . . . 71.409999999999997 110.698 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -135.57 122.39 21.11 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.873 0.869 . . . . 74.329999999999998 110.127 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -150.54 109.07 3.8 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.328 0.651 . . . . 74.129999999999995 110.132 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -80.54 147.82 30.65 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.611 0.764 . . . . 61.450000000000003 111.061 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -152.15 133.09 14.18 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.312 0.645 . . . . 63.450000000000003 110.594 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.1 ptp -88.7 130.72 35.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.979 0.511 . . . . 74.540000000000006 110.123 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.95 77.75 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 121.884 0.85 . . . . 62.43 110.094 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -136.79 101.41 4.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.489 1.116 . . . . 75.150000000000006 109.18 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -80.51 75.13 7.38 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.873 0.844 . . . . 74.420000000000002 109.996 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.0 m -88.59 83.12 6.78 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.635 -0.711 . . . . 75.400000000000006 109.444 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 m120 59.91 -162.15 0.26 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.934 0.894 . . . . 74.310000000000002 111.609 -172.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -115.81 95.59 44.38 Favored Pre-proline 0 N--CA 1.483 1.222 0 C-N-CA 123.012 0.525 . . . . 64.120000000000005 110.124 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HB2' ' HB2' ' A' ' 21' ' ' LYS . 31.2 Cg_exo -61.43 145.91 97.63 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.614 2.21 . . . . 45.119999999999997 111.496 166.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -39.41 75.14 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.714 0.405 . . . . 73.409999999999997 112.01 -171.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -74.07 -27.54 60.96 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 112.487 0.551 . . . . 72.25 112.487 172.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 18' ' ' PRO . 25.6 mttp -68.23 -32.37 72.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.604 0.638 . . . . 74.400000000000006 111.494 168.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.9 tttp -64.75 -54.63 28.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.722 -0.844 . . . . 74.409999999999997 108.722 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 27' ' ' ILE . 38.6 ttm180 -53.28 -54.41 36.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.854 1.261 . . . . 75.420000000000002 112.169 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.17 79.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.45 0.7 . . . . 72.329999999999998 112.396 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -72.41 -32.34 66.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.685 0.794 . . . . 70.510000000000005 111.829 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 83.4 mt -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 55.219999999999999 110.359 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 23' ' ' ARG . 39.5 mt -62.59 -31.11 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 C-N-CA 123.891 0.876 . . . . 75.409999999999997 111.441 175.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.83 -51.28 50.27 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.79 0.836 . . . . 74.519999999999996 111.502 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.587 ' HB2' HD11 ' A' ' 65' ' ' LEU . 43.0 mt-30 -74.35 -13.19 60.71 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.206 0.603 . . . . 61.420000000000002 112.347 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.744 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 85.3 p -88.86 -38.57 14.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.292 0.637 . . . . 65.239999999999995 111.217 174.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -77.81 -9.39 59.01 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.257 0.551 . . . . 73.409999999999997 110.146 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 111.68 23.84 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.55 -0.907 . . . . 75.019999999999996 108.55 163.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.49 168.56 20.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.734 1.214 . . . . 74.540000000000006 109.561 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.77 -59.03 7.48 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.561 -0.29 . . . . 72.340000000000003 113.056 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -96.13 154.24 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.123 0.569 . . . . 73.299999999999997 112.467 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.26 -22.95 61.15 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.415 -0.811 . . . . 73.129999999999995 111.552 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 35' ' ' ILE . 2.1 mp0 -63.02 -52.17 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.436 0.694 . . . . 72.439999999999998 110.974 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.422 ' H ' HG13 ' A' ' 35' ' ' ILE . 20.1 m -73.52 -30.13 62.9 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.477 0.711 . . . . 65.109999999999999 111.334 175.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.66 -58.91 5.67 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.999 0.52 . . . . 75.019999999999996 111.563 174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.8 mt -55.79 -35.66 66.54 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.658 0.783 . . . . 75.299999999999997 111.746 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.9 -60.41 2.89 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.063 0.945 . . . . 75.510000000000005 111.876 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.744 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 58.6 mt -76.1 -31.89 58.93 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.047 1.128 . . . . 74.109999999999999 114.047 -173.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.3 p -62.15 -48.67 79.06 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.135 0.425 . . . . 63.439999999999998 110.921 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.19 -44.82 85.58 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.446 -0.797 . . . . 72.349999999999994 113.048 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.17 -43.08 82.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.015 0.926 . . . . 73.430000000000007 111.762 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.576 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -69.35 -47.09 65.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.128 -0.942 . . . . 61.229999999999997 111.866 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -31.78 73.05 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.004 -0.543 . . . . 72.420000000000002 112.066 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.31 -55.87 3.35 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.942 0.897 . . . . 75.439999999999998 112.403 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.63 -26.87 45.32 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.636 0.976 . . . . 75.120000000000005 113.636 -171.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -66.54 -22.44 66.16 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 118.47 0.577 . . . . 72.430000000000007 112.097 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.72 -41.96 99.42 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.074 0.55 . . . . 74.299999999999997 111.309 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -22.26 25.24 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.672 0.619 . . . . 73.5 112.672 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.5 mtm -81.35 138.54 35.64 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.473 0.654 . . . . 71.230000000000004 112.059 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.62 175.04 6.53 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.316 1.446 . . . . 74.219999999999999 109.846 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.87 -47.4 31.79 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.153 1.381 . . . . 75.439999999999998 113.786 -169.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -71.95 -37.6 69.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.694 0.798 . . . . 75.530000000000001 111.268 -173.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -64.91 -41.34 95.64 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.865 0.866 . . . . 74.519999999999996 111.634 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 HD21 ' HG ' ' A' ' 50' ' ' LEU . 66.4 mt -58.59 -29.08 66.16 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.047 0.939 . . . . 72.420000000000002 113.081 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -69.21 -39.01 78.86 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.023 0.529 . . . . 74.209999999999994 111.852 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.13 -34.22 77.55 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.969 0.507 . . . . 73.129999999999995 110.318 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -67.46 -39.94 85.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.269 -0.423 . . . . 75.209999999999994 111.914 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.08 -34.59 72.15 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.311 0.645 . . . . 74.329999999999998 110.868 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 m -62.96 -37.88 88.88 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.89 0.876 . . . . 73.0 112.366 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.18 -30.92 71.01 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 123.384 0.674 . . . . 70.340000000000003 112.017 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 29' ' ' GLN . 51.5 mt -68.15 -21.29 64.92 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.386 0.674 . . . . 63.32 112.316 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -82.25 -6.63 59.36 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.111 0.564 . . . . 63.439999999999998 111.98 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.2 163.96 16.62 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.976 0.511 . . . . 64.319999999999993 110.458 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.32 137.52 35.75 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.647 0.379 . . . . 74.0 111.088 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.64 -52.2 18.83 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.809 1.04 . . . . 72.209999999999994 113.809 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -56.49 -44.38 80.62 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.296 0.48 . . . . 74.519999999999996 112.296 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.26 -51.18 68.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.501 0.32 . . . . 71.219999999999999 111.099 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 42' ' ' LEU . 81.2 mt -51.81 -38.16 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.08 0.952 . . . . 74.209999999999994 111.329 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 33.5 t80 -68.99 -47.04 66.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.831 -0.622 . . . . 75.109999999999999 111.574 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.72 -20.17 59.94 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.346 0.498 . . . . 74.200000000000003 112.346 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -77.33 -44.47 29.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.899 0.48 . . . . 74.030000000000001 110.629 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.69 -69.66 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.337 0.655 . . . . 74.030000000000001 111.163 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 p -75.5 111.31 10.67 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.574 -0.898 . . . . 73.150000000000006 108.574 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 84.69 0.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.963 0.905 . . . . 73.109999999999999 112.502 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -110.71 -59.3 1.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.857 -1.065 . . . . 74.219999999999999 109.609 171.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 54.83 20.27 2.98 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 124.417 1.087 . . . . 71.310000000000002 113.444 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -82.09 5.26 20.08 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.415 1.086 . . . . 73.450000000000003 113.287 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 t -162.83 -32.34 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.241 1.016 . . . . 72.129999999999995 110.576 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.0 m -109.94 98.17 32.94 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 123.647 0.779 . . . . 65.439999999999998 110.734 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.78 157.45 55.26 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.318 2.012 . . . . 74.329999999999998 112.141 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.9 tp -85.39 121.84 73.65 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 122.895 0.478 . . . . 72.420000000000002 111.48 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.664 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.2 Cg_exo -76.94 160.51 33.69 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.759 2.306 . . . . 73.129999999999995 112.226 173.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.57 -33.31 73.64 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.332 1.053 . . . . 73.140000000000001 111.945 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.664 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.4 ptmt -58.97 -23.03 61.33 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.481 1.112 . . . . 75.319999999999993 113.305 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -115.67 -16.47 11.27 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.627 0.603 . . . . 73.340000000000003 112.627 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.66 88.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.053 0.541 . . . . 74.420000000000002 111.225 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -99.0 10.11 42.17 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.767 0.827 . . . . 74.010000000000005 112.462 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -98.33 126.19 43.74 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.969 0.508 . . . . 73.040000000000006 111.286 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -70.2 -27.49 64.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.656 0.383 . . . . 71.209999999999994 110.935 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.5 tp -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.591 0.757 . . . . 75.430000000000007 112.286 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.38 -45.92 92.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.566 -0.743 . . . . 75.019999999999996 111.268 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.77 -28.47 67.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.445 0.698 . . . . 74.409999999999997 111.416 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -67.48 -36.06 80.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.116 0.966 . . . . 73.040000000000006 110.874 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.7 -33.88 60.36 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.858 0.863 . . . . 74.310000000000002 111.362 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.19 -45.85 68.92 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.908 0.883 . . . . 74.239999999999995 111.24 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.08 -36.8 80.4 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.696 0.399 . . . . 73.109999999999999 110.716 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.99 -37.52 86.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.333 0.253 . . . . 75.219999999999999 111.257 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.535 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 21.1 t -55.23 -28.77 55.54 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.893 0.477 . . . . 75.129999999999995 111.699 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.67 -43.28 23.04 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 123.873 0.869 . . . . 74.209999999999994 110.968 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -89.77 -10.84 44.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.688 1.366 . . . . 64.430000000000007 114.688 -166.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 102' ' ' SER . 16.6 pttp -64.27 -26.69 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.246 0.832 . . . . 74.510000000000005 113.246 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.56 1.79 32.63 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.721 0.809 . . . . 72.530000000000001 111.591 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -101.75 -0.81 33.75 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.741 0.816 . . . . 74.439999999999998 112.401 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -97.26 154.93 17.1 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.863 0.865 . . . . 72.540000000000006 109.885 173.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 122.381 1.086 . . . . 65.25 111.715 -176.06 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 121.03 0.443 . . . . 70.25 111.332 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.26 61.2 0.02 OUTLIER Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.539 -0.755 . . . . 53.340000000000003 112.068 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -65.95 129.13 38.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.347 0.594 . . . . 70.030000000000001 112.222 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -84.71 139.54 31.93 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.739 -0.664 . . . . 74.329999999999998 109.471 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -84.24 69.58 10.45 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.468 0.651 . . . . 65.239999999999995 110.813 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.2 78.81 4.0 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.854 0.835 . . . . 73.430000000000007 110.53 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.08 71.93 9.13 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.484 -0.78 . . . . 74.200000000000003 109.272 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -128.6 93.74 3.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.1 0.96 . . . . 72.030000000000001 109.73 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.8 m 62.17 179.75 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.815 1.246 . . . . 75.219999999999999 112.578 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.6 94.88 4.63 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.02 0.528 . . . . 73.230000000000004 110.514 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -79.9 77.59 6.56 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.322 0.582 . . . . 75.239999999999995 109.762 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -85.61 117.5 30.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.522 0.729 . . . . 70.299999999999997 111.174 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -104.69 91.45 3.86 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.683 0.754 . . . . 72.349999999999994 110.962 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -86.38 -9.33 56.55 Favored 'General case' 0 CA--C 1.563 1.459 0 CA-C-N 114.747 -1.115 . . . . 75.519999999999996 110.035 171.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 m -64.88 125.95 26.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.942 1.297 . . . . 74.510000000000005 112.237 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 m120 60.92 25.12 15.11 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.673 1.189 . . . . 64.310000000000002 112.922 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -94.43 110.35 48.28 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 122.774 0.43 . . . . 73.200000000000003 110.31 173.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -60.7 146.42 97.27 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.589 2.193 . . . . 53.240000000000002 111.671 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 HD11 HD13 ' A' ' 58' ' ' LEU . 2.6 tm? -59.42 -33.12 70.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.728 0.811 . . . . 73.430000000000007 110.89 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.13 -39.53 86.63 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.682 0.793 . . . . 72.519999999999996 111.475 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.29 -29.16 62.53 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.822 0.449 . . . . 75.140000000000001 111.635 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.21 -46.74 87.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.776 0.43 . . . . 74.239999999999995 110.563 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -56.36 -39.46 72.92 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.076 0.95 . . . . 73.230000000000004 110.808 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.97 92.84 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.472 0.709 . . . . 73.209999999999994 111.832 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -63.48 -33.7 76.15 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.961 0.904 . . . . 74.530000000000001 112.244 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.83 -49.08 21.88 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 122.706 0.402 . . . . 74.219999999999999 111.14 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 46' ' ' ALA . 75.8 mt -57.62 -33.11 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 C-N-CA 123.335 0.654 . . . . 72.420000000000002 111.238 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.37 -50.17 70.97 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.704 0.802 . . . . 74.329999999999998 111.492 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB2' HD13 ' A' ' 65' ' ' LEU . 47.4 mt-30 -81.58 -8.76 59.76 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.374 0.67 . . . . 71.340000000000003 112.636 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 71.0 p -84.31 -46.02 12.21 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.017 0.527 . . . . 74.530000000000001 110.773 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.61 2.87 20.82 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.501 -0.772 . . . . 74.140000000000001 111.583 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -114.93 112.03 22.08 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.464 -0.569 . . . . 73.340000000000003 109.464 163.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.61 ' HD2' HD13 ' A' ' 42' ' ' LEU . 6.3 mmp_? -136.96 166.27 24.05 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.849 1.26 . . . . 74.420000000000002 109.672 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.26 -40.23 94.68 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 116.41 -0.359 . . . . 61.119999999999997 113.367 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.73 149.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 122.807 0.443 . . . . 72.439999999999998 110.858 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.83 -22.11 59.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.81 0.844 . . . . 71.299999999999997 112.807 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.86 -52.3 51.46 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 120.905 0.383 . . . . 75.129999999999995 111.47 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.7 m -72.84 -29.56 63.31 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.299 0.64 . . . . 74.109999999999999 111.394 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.42 -55.0 33.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.887 0.875 . . . . 74.329999999999998 111.127 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.92 -33.29 70.38 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.893 0.877 . . . . 72.200000000000003 112.05 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.5 -56.6 19.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.284 0.633 . . . . 75.239999999999995 111.341 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 33' ' ' ARG . 71.2 mt -74.25 -24.36 59.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.618 0.767 . . . . 75.340000000000003 112.399 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -62.61 -55.06 30.64 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.606 0.362 . . . . 55.219999999999999 110.987 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.43 95.46 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-N 116.035 -0.529 . . . . 75.349999999999994 113.116 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.42 -43.37 98.98 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.879 0.872 . . . . 74.239999999999995 111.222 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -70.91 -36.68 72.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.762 0.425 . . . . 75.129999999999995 112.101 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.87 86.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.634 -0.712 . . . . 73.319999999999993 112.057 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -86.38 -56.09 3.6 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.087 0.555 . . . . 73.340000000000003 111.705 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -74.97 -54.18 7.66 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 118.098 -0.953 . . . . 75.140000000000001 113.176 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 46' ' ' ALA . 7.0 mp -54.39 -30.44 52.08 Favored 'General case' 0 N--CA 1.506 2.333 0 CA-C-N 119.115 0.87 . . . . 73.109999999999999 113.138 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.43 -29.68 70.68 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.704 0.801 . . . . 72.25 112.229 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -122.26 -3.84 8.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.876 0.87 . . . . 74.510000000000005 112.923 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.586 ' SD ' HD23 ' A' ' 58' ' ' LEU . 41.9 ttm -72.57 150.35 43.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.024 0.93 . . . . 73.219999999999999 111.492 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -77.67 151.41 34.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.28 0.632 . . . . 70.099999999999994 111.004 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.3 -40.28 74.07 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.584 1.154 . . . . 72.409999999999997 111.545 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.33 -35.27 75.25 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.48 1.112 . . . . 72.030000000000001 113.129 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HB2' ' HG2' ' A' ' 53' ' ' MET . 41.5 mt-10 -78.45 -32.91 48.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.288 0.635 . . . . 73.409999999999997 112.102 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.586 HD23 ' SD ' ' A' ' 53' ' ' MET . 81.0 mt -60.11 -35.99 76.45 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.713 1.005 . . . . 65.310000000000002 113.713 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.595 0.358 . . . . 73.219999999999999 111.699 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.73 -33.64 66.53 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.994 0.518 . . . . 75.010000000000005 110.098 172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.81 -37.36 84.37 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.215 0.606 . . . . 75.140000000000001 111.996 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.85 -45.94 74.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.323 0.649 . . . . 74.319999999999993 110.301 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 m -59.29 -36.31 75.34 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.947 0.899 . . . . 64.530000000000001 112.258 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.23 -34.25 77.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.343 0.657 . . . . 75.310000000000002 111.874 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' A' ' 29' ' ' GLN . 70.9 mt -71.52 -18.76 62.26 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.017 0.527 . . . . 75.239999999999995 111.922 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -84.23 -7.97 59.18 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.476 0.711 . . . . 70.120000000000005 112.153 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.12 167.5 16.71 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.293 0.568 . . . . 74.310000000000002 111.688 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 133.73 38.45 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.431 -0.804 . . . . 75.109999999999999 110.859 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -49.64 -54.39 18.76 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.177 1.391 . . . . 61.310000000000002 112.985 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -54.37 -47.11 73.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.377 0.671 . . . . 75.319999999999993 112.292 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.32 -45.68 93.41 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.212 0.605 . . . . 72.129999999999995 111.464 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.558 HG23 HD11 ' A' ' 42' ' ' LEU . 70.2 mt -53.38 -46.64 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 124.019 0.928 . . . . 71.319999999999993 111.039 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.22 -45.25 94.21 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.627 -1.17 . . . . 74.140000000000001 111.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -70.15 -40.14 74.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.95 0.722 . . . . 75.430000000000007 112.95 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.447 ' HB3' HD12 ' A' ' 95' ' ' LEU . 19.4 m0 -64.14 -38.24 90.34 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.125 0.488 . . . . 74.120000000000005 110.852 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.61 13.22 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.973 -1.012 . . . . 72.409999999999997 111.824 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 p -83.81 6.48 21.2 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.006 0.922 . . . . 73.420000000000002 112.655 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 67.56 20.06 9.77 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.762 1.225 . . . . 75.349999999999994 113.134 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.87 60.81 5.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.637 0.775 . . . . 73.230000000000004 111.038 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.94 0.97 13.96 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.512 0.725 . . . . 75.530000000000001 112.53 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -26.35 14.74 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.569 1.548 . . . . 73.230000000000004 113.811 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -128.69 -35.74 1.89 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.335 0.654 . . . . 74.310000000000002 111.972 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 m -116.14 100.74 53.75 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 123.003 0.521 . . . . 72.439999999999998 110.259 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.21 160.5 48.81 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.755 2.303 . . . . 73.420000000000002 112.829 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 33.8 tp -81.55 123.11 81.12 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 122.813 0.445 . . . . 74.140000000000001 111.164 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.547 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.9 Cg_exo -78.45 165.57 25.13 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.993 2.462 . . . . 63.509999999999998 112.988 175.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.78 -31.92 73.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.22 1.008 . . . . 74.230000000000004 112.067 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.7 ptmt -62.62 -29.08 70.35 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.033 0.933 . . . . 72.430000000000007 112.862 178.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -103.14 -16.77 15.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 112.576 0.584 . . . . 74.329999999999998 112.576 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.16 -31.53 65.49 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.547 0.739 . . . . 71.450000000000003 112.442 175.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -99.44 -5.63 29.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.805 0.842 . . . . 63.409999999999997 112.627 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -83.18 133.8 35.01 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.285 0.846 . . . . 74.420000000000002 113.285 -170.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.593 ' HB2' ' HZ3' ' A' ' 93' ' ' LYS . 5.0 ttmp? -69.97 -41.54 74.32 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.107 0.963 . . . . 74.409999999999997 111.031 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.9 -44.27 63.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.98 1.312 . . . . 72.329999999999998 112.777 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' ' 75' ' ' TRP . 44.6 tp -53.62 -48.24 69.51 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.782 -0.645 . . . . 75.400000000000006 110.743 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 55.6 mttp -64.26 -37.3 87.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.223 -0.899 . . . . 73.530000000000001 111.308 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.0 -44.26 94.66 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.895 0.878 . . . . 74.409999999999997 110.982 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.29 -33.35 65.15 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.006 0.922 . . . . 72.510000000000005 111.752 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.32 -39.79 85.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.599 0.76 . . . . 70.420000000000002 111.314 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 19.1 mm-40 -67.46 -37.03 82.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.889 0.476 . . . . 71.209999999999994 111.715 175.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.02 -56.16 6.76 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.663 -0.244 . . . . 74.109999999999999 111.523 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.3 p -58.87 -45.4 90.26 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.16 0.984 . . . . 74.019999999999996 113.202 -169.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.97 -25.68 60.06 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.472 -0.785 . . . . 72.329999999999998 112.043 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -117.84 10.8 13.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 113.912 1.079 . . . . 71.109999999999999 113.912 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -3.03 41.0 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 113.265 0.839 . . . . 73.430000000000007 113.265 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.59 -14.86 23.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.122 0.969 . . . . 72.150000000000006 111.049 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 43.4 84.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.079 1.751 . . . . 75.200000000000003 113.991 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.19 -176.98 5.5 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.569 0.748 . . . . 74.129999999999995 110.786 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.936 0.874 . . . . 73.25 111.885 179.67 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.575 0.226 . . . . 72.140000000000001 110.762 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.79 133.26 1.96 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 111.957 -0.457 . . . . 74.019999999999996 111.957 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -73.82 -31.38 63.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.301 0.64 . . . . 74.019999999999996 112.422 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -102.56 143.7 31.92 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.48 0.712 . . . . 73.030000000000001 111.115 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.6 m80 54.79 80.5 0.12 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.758 1.223 . . . . 73.230000000000004 112.611 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -84.75 92.93 8.34 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.442 0.697 . . . . 74.219999999999999 110.92 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.01 135.2 41.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.717 0.807 . . . . 75.219999999999999 110.992 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.83 158.38 18.14 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.77 0.828 . . . . 73.349999999999994 111.554 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -136.39 -68.7 0.49 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.666 0.786 . . . . 70.030000000000001 110.565 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -87.77 73.71 9.23 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.422 0.63 . . . . 75.439999999999998 110.314 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.9 tpp -110.93 89.96 3.19 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.7 0.8 . . . . 72.140000000000001 110.625 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -110.17 126.5 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.125 0.97 . . . . 74.450000000000003 108.883 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 64.01 95.48 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.084 0.954 . . . . 73.420000000000002 111.174 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -67.49 -50.72 57.68 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.832 0.453 . . . . 74.530000000000001 111.476 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -151.71 -79.02 0.12 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.138 0.575 . . . . 64.310000000000002 110.802 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -138.93 -65.89 0.48 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.821 0.849 . . . . 75.549999999999997 109.231 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 39.4 tt0 -140.02 83.52 15.99 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.658 0.783 . . . . 74.120000000000005 109.302 172.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.92 172.94 8.97 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.614 2.209 . . . . 63.119999999999997 113.277 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -63.79 -29.03 70.28 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.163 -0.926 . . . . 74.310000000000002 110.022 174.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.29 -38.15 85.76 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.772 1.229 . . . . 74.109999999999999 112.162 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 17' ' ' GLU . 84.7 mttt -70.16 -37.74 75.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 122.401 0.28 . . . . 72.510000000000005 111.662 175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -60.94 -48.17 83.07 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 123.276 0.36 . . . . 65.010000000000005 110.179 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' HA ' HD22 ' A' ' 50' ' ' LEU . 89.9 mtt180 -56.38 -55.05 38.3 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 115.409 -0.814 . . . . 75.299999999999997 111.303 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.45 70.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.391 0.676 . . . . 73.450000000000003 112.256 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.61 -39.88 84.72 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.552 1.141 . . . . 65.150000000000006 112.537 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.3 mt -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.577 0.351 . . . . 75.310000000000002 111.325 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 46' ' ' ALA . 58.5 mt -59.02 -34.4 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 C-N-CA 123.776 0.83 . . . . 71.310000000000002 110.248 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.58 -39.66 80.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.724 0.809 . . . . 74.049999999999997 111.616 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.614 ' HB2' HD12 ' A' ' 65' ' ' LEU . 47.7 mt-30 -78.69 -10.11 59.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.153 0.581 . . . . 74.219999999999999 112.368 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -88.55 -32.36 18.2 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.13 0.572 . . . . 64.409999999999997 110.438 168.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -76.19 -9.94 59.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.906 0.882 . . . . 64.409999999999997 111.067 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -98.84 116.04 30.18 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.167 -1.049 . . . . 74.219999999999999 108.167 160.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -151.27 173.41 14.49 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.642 0.377 . . . . 74.099999999999994 110.225 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -63.01 2.14 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 112.057 -0.417 . . . . 70.230000000000004 112.057 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 37' ' ' GLU . 39.9 pt -99.28 153.4 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.106 0.562 . . . . 75.140000000000001 112.099 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.92 -24.67 59.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.724 0.809 . . . . 74.420000000000002 112.496 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HB2' HD11 ' A' ' 35' ' ' ILE . 27.6 mm-40 -59.36 -53.27 60.09 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.722 0.409 . . . . 75.150000000000006 112.071 176.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.408 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 15.6 m -73.82 -30.13 62.54 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.882 0.473 . . . . 74.120000000000005 111.622 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.78 -55.87 25.44 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.258 0.623 . . . . 73.5 110.993 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.81 -30.58 67.07 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.564 0.745 . . . . 73.010000000000005 112.109 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.94 -52.05 66.68 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.196 0.598 . . . . 62.240000000000002 110.805 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.77 -35.33 62.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 73.530000000000001 112.329 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -73.18 -35.95 66.49 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 123.105 0.562 . . . . 74.319999999999993 112.492 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.71 -41.01 85.09 Favored Glycine 0 N--CA 1.478 1.447 0 CA-C-O 121.428 0.46 . . . . 63.020000000000003 112.01 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.33 -34.77 75.8 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.332 1.053 . . . . 74.109999999999999 110.505 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -73.86 -38.76 64.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.465 -0.788 . . . . 75.420000000000002 112.551 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.76 81.6 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 122.997 0.519 . . . . 71.329999999999998 112.147 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -88.61 -55.35 3.75 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.469 0.708 . . . . 73.400000000000006 112.858 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.52 -49.73 10.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.176 0.806 . . . . 70.349999999999994 113.176 -169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 46' ' ' ALA . 8.7 mp -49.96 -41.63 47.07 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.329 0.863 . . . . 63.240000000000002 113.329 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.18 -21.63 66.34 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 114.939 -1.028 . . . . 72.129999999999995 112.381 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -112.27 -18.69 12.46 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.985 0.914 . . . . 75.030000000000001 111.977 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 mtm -76.39 150.74 36.75 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.492 0.663 . . . . 74.219999999999999 111.835 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 m-80 -87.35 163.98 16.5 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.133 -0.94 . . . . 74.209999999999994 110.918 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.2 tm-20 -51.21 -40.84 59.61 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.779 1.232 . . . . 74.319999999999993 112.011 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.02 -42.02 97.66 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.508 1.123 . . . . 74.129999999999995 113.035 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.73 -43.79 68.18 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.65 0.78 . . . . 75.099999999999994 110.631 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD21 ' HG ' ' A' ' 50' ' ' LEU . 28.9 mt -55.68 -31.56 62.51 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.581 -1.19 . . . . 71.409999999999997 113.388 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.11 -42.15 94.25 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.132 0.573 . . . . 74.340000000000003 112.037 173.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.57 -34.35 75.66 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 116.43 -0.35 . . . . 73.519999999999996 110.333 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.8 t80 -64.22 -37.33 87.08 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.893 0.477 . . . . 72.420000000000002 111.317 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.08 -40.93 91.24 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.472 0.709 . . . . 72.140000000000001 110.673 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.3 m -64.48 -34.06 77.33 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.382 0.673 . . . . 64.140000000000001 111.903 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 98' ' ' LEU . 38.9 tp -69.53 -36.28 76.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.969 0.508 . . . . 75.219999999999999 111.055 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD12 ' HB2' ' A' ' 29' ' ' GLN . 62.0 mt -65.34 -35.77 81.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.613 0.765 . . . . 73.430000000000007 110.747 172.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.67 -21.57 66.1 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.828 1.251 . . . . 73.349999999999994 111.945 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -76.64 157.36 31.92 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.904 0.383 . . . . 64.420000000000002 111.527 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.0 125.36 28.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.532 0.733 . . . . 74.349999999999994 109.602 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.9 p-10 -42.97 -52.76 5.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.52 1.674 . . . . 75.430000000000007 115.52 -174.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -55.62 -45.24 77.56 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.316 0.487 . . . . 75.530000000000001 112.316 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -61.55 -47.6 84.78 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.778 0.431 . . . . 73.109999999999999 111.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 69' ' ' ASP . 57.4 mt -52.03 -45.61 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 C-N-CA 124.235 1.014 . . . . 72.450000000000003 111.38 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 26.0 t80 -66.89 -42.03 86.2 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.763 -1.108 . . . . 74.510000000000005 111.123 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.434 ' HD1' HD21 ' A' ' 79' ' ' ASN . 24.7 m-85 -68.98 -34.63 75.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.069 0.547 . . . . 75.409999999999997 111.848 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.404 ' HB3' HD12 ' A' ' 95' ' ' LEU . 27.0 m0 -68.65 -37.08 79.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 120.945 0.402 . . . . 74.340000000000003 110.521 174.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -75.56 -15.82 60.33 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.768 0.827 . . . . 74.510000000000005 112.948 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -114.66 5.17 15.29 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.44 0.696 . . . . 73.120000000000005 112.807 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 67.86 21.55 9.01 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 124.776 1.23 . . . . 73.549999999999997 114.252 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.434 HD21 ' HD1' ' A' ' 74' ' ' TYR . 76.8 m-20 -85.22 58.97 5.34 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.547 0.689 . . . . 73.120000000000005 110.779 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.08 -10.01 59.07 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.621 0.768 . . . . 75.340000000000003 112.363 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.13 -39.54 78.83 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.554 0.741 . . . . 74.340000000000003 111.964 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -91.6 -40.32 11.39 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 122.866 0.467 . . . . 74.129999999999995 111.221 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -126.62 97.22 33.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 C-N-CA 123.574 0.75 . . . . 73.439999999999998 109.808 172.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.55 152.52 80.59 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.492 2.128 . . . . 75.230000000000004 112.458 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 HD11 ' HD2' ' A' ' 86' ' ' PRO . 31.0 tp -78.35 124.62 85.59 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 115.792 -0.64 . . . . 75.340000000000003 110.601 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD2' HD11 ' A' ' 85' ' ' LEU . 91.7 Cg_endo -82.86 157.26 15.7 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.541 2.161 . . . . 74.120000000000005 111.786 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.79 -29.24 69.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.27 1.028 . . . . 75.25 112.512 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.53 -27.15 68.41 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.853 0.861 . . . . 75.400000000000006 113.242 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -111.81 -8.3 14.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.458 0.54 . . . . 71.319999999999993 112.458 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 1.1 12.75 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.304 0.854 . . . . 74.450000000000003 113.304 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.51 18.47 2.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.348 0.659 . . . . 70.150000000000006 111.059 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -86.27 130.08 34.64 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.79 0.836 . . . . 74.409999999999997 111.887 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.75 -43.42 72.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.132 0.573 . . . . 74.030000000000001 110.314 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.0 tp -50.27 -47.08 55.5 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.923 1.289 . . . . 73.120000000000005 113.063 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 75' ' ' TRP . 31.8 tp -56.4 -46.4 80.16 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.902 0.881 . . . . 73.420000000000002 111.683 177.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.57 -33.28 68.95 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.221 -0.899 . . . . 74.140000000000001 111.377 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.05 -37.93 89.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.893 0.877 . . . . 75.439999999999998 110.877 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 64' ' ' LEU . 51.5 tp -67.27 -37.29 83.23 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.977 0.911 . . . . 74.150000000000006 111.313 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 78.9 mt-30 -70.34 -41.93 72.54 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.859 0.864 . . . . 73.549999999999997 111.843 176.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.43 -47.76 82.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.691 0.796 . . . . 61.109999999999999 110.466 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -57.94 -47.86 81.65 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.637 1.175 . . . . 73.329999999999998 111.383 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -53.98 -25.52 21.23 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.808 1.243 . . . . 74.519999999999996 113.658 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.5 -42.87 28.41 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 112.721 0.637 . . . . 64.239999999999995 112.721 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -117.23 12.99 14.56 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 113.784 1.031 . . . . 74.219999999999999 113.784 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.572 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -66.43 -17.03 64.55 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.462 1.653 . . . . 72.340000000000003 115.462 -174.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.572 ' HG3' ' HD2' ' A' ' 105' ' ' LYS . 48.5 mt-10 -120.63 4.25 10.63 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.429 0.692 . . . . 65.140000000000001 111.123 173.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.644 ' HZ2' ' HB3' ' A' ' 107' ' ' LYS . 7.2 mtpm? -114.07 10.11 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.05 0.94 . . . . 75.200000000000003 111.909 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.53 -167.24 1.82 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.306 1.043 . . . . 71.420000000000002 111.814 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.4 pt . . . . . 0 N--CA 1.483 1.175 0 C-N-CA 123.765 0.826 . . . . 75.150000000000006 111.387 173.234 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 120.694 0.283 . . . . 74.519999999999996 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.12 163.2 31.99 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.253 -0.43 . . . . 64.299999999999997 113.688 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -118.89 153.7 34.14 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.642 0.777 . . . . 73.25 110.751 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -71.93 108.2 5.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.944 0.498 . . . . 75.439999999999998 111.277 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -127.57 175.26 8.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.396 0.678 . . . . 75.120000000000005 112.126 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -71.52 133.1 45.59 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.723 0.809 . . . . 75.319999999999993 111.409 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.44 -29.03 2.72 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.168 0.803 . . . . 72.439999999999998 113.168 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.17 160.13 11.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 118.288 0.494 . . . . 75.109999999999999 111.742 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -137.68 175.24 9.77 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.538 0.735 . . . . 75.239999999999995 110.204 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -134.71 123.57 23.88 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.28 0.632 . . . . 75.109999999999999 110.925 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.0 OUTLIER -75.63 151.09 37.85 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.444 0.697 . . . . 75.209999999999994 110.355 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.46 122.04 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.029 0.532 . . . . 72.239999999999995 111.673 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 90.01 0.72 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.821 0.848 . . . . 73.420000000000002 110.103 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -67.93 -44.07 77.7 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.766 0.826 . . . . 75.25 111.367 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.9 p -113.55 135.58 53.74 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.313 0.645 . . . . 73.430000000000007 110.393 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -140.07 98.33 3.43 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.911 -0.774 . . . . 63.109999999999999 108.911 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 55.84 79.45 0.33 Allowed Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 125.207 1.403 . . . . 74.019999999999996 111.594 -165.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 50.3 Cg_exo -55.72 168.92 1.44 Allowed 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 123.294 2.662 . . . . 74.209999999999994 112.948 166.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -42.9 75.54 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.89 0.476 . . . . 74.420000000000002 111.818 -172.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.25 -30.82 63.73 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.433 0.531 . . . . 73.140000000000001 112.433 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 90.3 mttt -72.5 -32.5 66.21 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 122.215 -0.303 . . . . 75.0 111.454 172.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.5 tttp -65.63 -48.59 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.131 0.573 . . . . 75.530000000000001 109.662 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 27' ' ' ILE . 37.2 ttm-85 -49.22 -51.27 34.16 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.882 1.273 . . . . 74.430000000000007 110.189 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.7 96.98 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.307 -0.86 . . . . 75.319999999999993 112.511 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -65.56 -33.01 74.92 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.385 0.674 . . . . 74.140000000000001 111.555 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 78.1 mt -71.01 -45.37 64.07 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.937 0.495 . . . . 73.120000000000005 110.689 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.548 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.7 mt -54.34 -40.58 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.82 0.848 . . . . 52.039999999999999 111.502 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -58.87 -50.73 72.89 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.796 0.838 . . . . 70.230000000000004 112.011 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.533 ' HB2' HD13 ' A' ' 65' ' ' LEU . 25.3 mt-30 -72.65 -14.94 61.7 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.647 0.61 . . . . 75.140000000000001 112.647 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.1 p -89.8 -30.8 17.72 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.059 0.544 . . . . 75.219999999999999 112.292 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -77.47 -10.38 59.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.906 0.482 . . . . 73.340000000000003 111.917 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -105.66 113.09 26.44 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.967 -0.753 . . . . 62.43 108.967 163.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -149.42 145.9 27.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.087 0.955 . . . . 74.5 110.855 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.63 -27.3 73.53 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 114.504 0.562 . . . . 75.439999999999998 114.504 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -105.38 134.6 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.472 0.709 . . . . 73.239999999999995 110.285 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.86 -41.38 97.79 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.226 0.611 . . . . 74.299999999999997 112.368 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.97 -37.98 75.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.404 0.52 . . . . 71.25 112.404 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 69' ' ' ASP . 91.8 m -68.3 -35.65 78.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.15 0.58 . . . . 74.439999999999998 110.862 173.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.35 -56.72 15.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.207 1.003 . . . . 73.129999999999995 110.609 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.62 -28.28 68.36 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.542 0.737 . . . . 74.310000000000002 112.06 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' HD2' ' A' ' 101' ' ' PHE . 49.2 tp -64.18 -58.85 5.4 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.268 0.627 . . . . 64.310000000000002 110.767 174.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.621 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 87.0 mt -74.6 -30.04 61.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.921 0.711 . . . . 74.239999999999995 112.921 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -62.55 -56.94 13.3 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.4 0.68 . . . . 74.25 111.734 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -33.79 83.76 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.691 -0.686 . . . . 71.439999999999998 113.202 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.05 -42.15 93.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 74.239999999999995 110.401 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.763 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.08 -40.2 75.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.412 -0.813 . . . . 72.049999999999997 112.611 -176.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.86 83.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.258 0.466 . . . . 75.140000000000001 112.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -87.33 -55.71 3.69 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.652 -0.703 . . . . 72.420000000000002 112.74 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -79.96 -48.57 13.18 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.657 0.614 . . . . 73.209999999999994 112.657 -169.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 46' ' ' ALA . 8.8 mp -55.99 -29.16 59.86 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.302 0.501 . . . . 73.540000000000006 112.345 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -54.99 -42.45 72.47 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.268 1.027 . . . . 73.519999999999996 111.7 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -106.7 -13.67 15.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.189 0.996 . . . . 75.5 113.022 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 58' ' ' LEU . 46.7 ttm -69.26 146.42 52.3 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.636 1.174 . . . . 73.230000000000004 113.325 -171.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -73.48 155.69 38.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.71 0.804 . . . . 73.230000000000004 112.084 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.15 -43.5 61.24 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.751 1.62 . . . . 72.530000000000001 112.331 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.76 -46.93 80.08 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.918 -1.037 . . . . 74.530000000000001 111.887 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.7 -28.4 65.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.049 -0.978 . . . . 70.519999999999996 111.812 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 53' ' ' MET . 68.9 mt -60.49 -37.12 80.04 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 122.904 0.482 . . . . 54.539999999999999 111.763 170.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.03 -30.51 63.8 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.75 0.42 . . . . 75.109999999999999 111.218 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.99 -34.71 78.36 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 121.132 0.491 . . . . 70.340000000000003 110.235 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.32 -36.15 76.68 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.39 0.676 . . . . 75.329999999999998 112.03 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.99 -40.49 73.39 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.76 0.824 . . . . 62.439999999999998 109.73 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -60.62 -43.46 97.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.163 0.985 . . . . 74.120000000000005 112.186 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.29 -29.09 70.47 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.045 0.938 . . . . 73.420000000000002 112.217 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 29' ' ' GLN . 78.2 mt -70.6 -20.26 62.78 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.538 0.735 . . . . 72.010000000000005 112.728 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -87.06 -13.22 44.95 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.469 0.708 . . . . 64.310000000000002 111.764 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.74 163.53 25.31 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.684 0.624 . . . . 75.120000000000005 112.684 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.63 133.09 38.49 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.077 0.951 . . . . 73.519999999999996 112.106 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.9 OUTLIER -47.41 -68.87 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 115.527 1.677 . . . . 75.450000000000003 115.527 -174.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -56.77 -38.32 72.32 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 117.818 0.281 . . . . 74.409999999999997 111.547 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.83 -47.47 85.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.496 0.318 . . . . 73.010000000000005 111.277 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.73 -45.11 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 123.992 0.917 . . . . 75.329999999999998 111.505 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.51 -44.01 97.84 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.184 -0.917 . . . . 72.430000000000007 111.801 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.403 ' HD1' ' HB2' ' A' ' 79' ' ' ASN . 67.2 m-85 -78.82 -26.44 44.24 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.856 0.687 . . . . 73.319999999999993 112.856 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.538 ' HA ' ' HE1' ' A' ' 80' ' ' PHE . 36.3 m0 -68.4 -40.59 81.23 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.338 0.59 . . . . 72.420000000000002 110.252 170.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 102' ' ' SER . . . -67.74 -38.87 84.11 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 114.868 -1.06 . . . . 73.400000000000006 112.295 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -87.23 -6.2 58.66 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.112 0.565 . . . . 72.010000000000005 112.352 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 64.21 21.84 12.66 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.048 1.339 . . . . 74.450000000000003 111.946 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.403 ' HB2' ' HD1' ' A' ' 74' ' ' TYR . 89.6 m-20 -92.89 78.87 4.69 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.16 0.984 . . . . 72.549999999999997 110.412 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.555 ' HB3' ' HA ' ' A' ' 84' ' ' PRO . 22.3 m-85 -82.79 10.18 8.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.272 0.841 . . . . 73.420000000000002 113.272 -173.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -61.07 -43.68 98.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.869 0.868 . . . . 75.109999999999999 112.45 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -95.39 -36.72 11.25 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.533 0.733 . . . . 63.520000000000003 110.887 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -135.03 87.64 28.83 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.126 0.971 . . . . 71.310000000000002 110.86 -170.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.555 ' HA ' ' HB3' ' A' ' 80' ' ' PHE . 32.4 Cg_exo -61.17 152.18 73.66 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.809 2.339 . . . . 73.230000000000004 113.374 175.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.7 122.85 82.65 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 123.379 0.672 . . . . 74.209999999999994 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.482 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.8 Cg_exo -74.17 154.07 46.57 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.799 2.333 . . . . 75.109999999999999 111.92 171.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.168 0.987 . . . . 61.030000000000001 112.918 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.4 ptmt -55.36 -49.2 72.89 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.577 0.751 . . . . 72.010000000000005 112.597 175.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.58 -18.88 36.77 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.254 0.464 . . . . 64.120000000000005 112.254 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.83 50.69 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 113.347 0.869 . . . . 72.239999999999995 113.347 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -115.48 1.1 13.57 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.44 0.696 . . . . 75.239999999999995 112.375 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -73.38 131.94 42.44 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 112.892 0.701 . . . . 73.420000000000002 112.892 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -57.84 -43.81 86.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.396 1.079 . . . . 65.510000000000005 111.246 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -56.94 -46.71 81.88 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.957 -1.02 . . . . 74.140000000000001 112.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.68 -39.29 84.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.804 0.442 . . . . 74.540000000000006 111.776 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 66.2 mttm -61.87 -41.33 97.72 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.336 0.654 . . . . 74.329999999999998 111.111 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.28 -35.72 78.29 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.109 0.964 . . . . 74.010000000000005 111.299 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.73 -38.89 84.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.994 0.918 . . . . 74.209999999999994 111.088 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -64.89 -38.09 89.81 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.742 0.817 . . . . 71.420000000000002 111.718 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 11.1 mm-40 -62.66 -39.7 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.804 0.442 . . . . 63.210000000000001 111.89 176.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.4 ' HD2' HD11 ' A' ' 41' ' ' LEU . 60.2 t80 -74.16 -45.72 46.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.85 -0.159 . . . . 73.319999999999993 111.281 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 43.4 t -50.19 -54.19 22.65 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.254 1.021 . . . . 51.299999999999997 112.972 -176.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.31 -23.25 51.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.563 -0.744 . . . . 63.439999999999998 111.75 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -114.9 38.02 3.29 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.836 0.854 . . . . 73.150000000000006 111.588 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -68.84 87.95 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.357 0.599 . . . . 75.120000000000005 109.835 171.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -122.75 21.41 10.01 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.009 -0.996 . . . . 75.430000000000007 111.174 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.535 ' HB3' ' HZ1' ' A' ' 107' ' ' LYS . 9.5 mtpm? -72.78 75.77 1.13 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.043 0.925 . . . . 73.120000000000005 110.942 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -159.96 166.8 29.37 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.022 -1.445 . . . . 74.200000000000003 109.95 -176.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 122.165 0.984 . . . . 75.140000000000001 110.815 -178.279 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 110.575 -0.157 . . . . 75.030000000000001 110.575 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.46 136.96 2.1 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 121.711 -0.28 . . . . 55.240000000000002 113.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -103.08 80.03 1.81 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.525 0.73 . . . . 71.299999999999997 109.527 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -80.64 119.45 23.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.543 0.737 . . . . 74.519999999999996 110.893 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -65.41 139.16 58.51 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.006 0.522 . . . . 73.329999999999998 110.892 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.61 69.37 5.73 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.225 0.61 . . . . 74.310000000000002 111.048 -170.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -82.7 80.71 8.73 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.753 0.787 . . . . 64.099999999999994 111.534 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -136.36 121.78 19.39 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.812 0.845 . . . . 65.540000000000006 109.197 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m -65.09 -24.0 67.32 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.932 1.086 . . . . 74.400000000000006 113.932 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -70.72 -28.56 64.82 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.323 0.49 . . . . 74.430000000000007 112.323 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.93 121.13 24.5 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.814 0.446 . . . . 61.439999999999998 110.228 -178.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -81.2 106.97 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 123.378 0.671 . . . . 74.150000000000006 111.168 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.86 88.54 2.68 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.336 1.054 . . . . 62.009999999999998 110.098 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -70.49 -46.01 64.57 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.485 -0.779 . . . . 75.349999999999994 112.202 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -71.8 84.98 0.93 Allowed 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.529 0.68 . . . . 71.209999999999994 111.056 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -119.45 44.38 2.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.377 1.071 . . . . 75.219999999999999 108.722 172.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -96.49 109.92 50.29 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 124.515 1.126 . . . . 75.120000000000005 111.509 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 72.0 Cg_endo -75.48 164.01 33.26 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.292 1.995 . . . . 73.219999999999999 111.132 158.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.91 -27.98 69.22 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.22 0.608 . . . . 74.510000000000005 110.025 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.93 -30.09 71.29 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.664 0.786 . . . . 73.109999999999999 112.968 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 39.3 mttp -71.84 -27.88 63.19 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.276 0.489 . . . . 72.109999999999999 111.901 173.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HZ1' ' HB3' ' A' ' 59' ' ' GLU . 78.4 tttt -68.48 -50.75 50.04 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.91 -0.404 . . . . 75.109999999999999 109.91 171.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.6 -42.47 78.81 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.634 0.774 . . . . 75.329999999999998 111.634 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.601 0.76 . . . . 73.409999999999997 111.72 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -60.77 -41.38 95.36 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.96 0.904 . . . . 64.019999999999996 111.437 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.1 mt -71.38 -44.12 65.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.007 0.523 . . . . 73.540000000000006 111.964 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.511 HG12 ' HB1' ' A' ' 46' ' ' ALA . 57.7 mt -62.68 -29.5 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 123.006 0.522 . . . . 75.430000000000007 110.848 171.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -73.39 -40.02 64.64 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.792 0.837 . . . . 75.310000000000002 112.4 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.65 ' HB2' HD12 ' A' ' 65' ' ' LEU . 25.0 mt-30 -76.39 -14.68 60.06 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.224 0.609 . . . . 65.319999999999993 111.778 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.4 p -87.0 -17.83 32.07 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.449 0.7 . . . . 72.230000000000004 111.128 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -20.92 29.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.325 0.65 . . . . 75.239999999999995 111.281 171.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.49 111.46 23.56 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.559 -0.904 . . . . 72.239999999999995 108.559 171.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 5.0 mmp_? -147.29 156.06 42.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 74.439999999999998 110.525 -171.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.8 -35.42 35.68 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-N 115.832 -0.622 . . . . 71.019999999999996 113.818 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 69' ' ' ASP . 48.9 pt -128.18 154.89 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 117.546 0.673 . . . . 72.120000000000005 111.722 175.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.27 -28.86 62.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.867 0.867 . . . . 73.310000000000002 112.795 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.5 -38.35 84.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 122.002 -0.436 . . . . 75.329999999999998 112.105 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.8 m -73.49 -28.53 61.97 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.898 0.479 . . . . 73.450000000000003 111.142 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t70 -64.82 -48.31 74.85 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.786 0.434 . . . . 75.329999999999998 111.731 171.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.05 -28.31 68.11 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.197 0.599 . . . . 75.25 111.1 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 tp -73.03 -57.53 3.97 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.777 0.831 . . . . 73.439999999999998 111.386 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD11 HD12 ' A' ' 72' ' ' ILE . 57.6 mt -76.51 -46.57 26.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.615 0.968 . . . . 74.040000000000006 113.615 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.9 t -69.17 -31.06 69.45 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 118.43 0.559 . . . . 70.430000000000007 111.624 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.02 -45.38 73.1 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 121.405 0.447 . . . . 62.329999999999998 112.355 169.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.39 -33.68 71.51 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.51 1.124 . . . . 74.040000000000006 110.829 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -73.98 -39.02 63.97 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.685 0.794 . . . . 74.030000000000001 112.391 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.84 67.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.121 0.415 . . . . 73.349999999999994 112.121 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -88.98 -56.9 3.1 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 123.143 0.577 . . . . 74.230000000000004 112.224 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -80.8 -41.75 22.82 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.35 0.87 . . . . 75.5 113.35 -169.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 46' ' ' ALA . 8.0 mp -60.45 -21.04 61.86 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.031 0.752 . . . . 74.230000000000004 113.031 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.33 -26.74 68.6 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.049 0.94 . . . . 65.200000000000003 112.427 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -114.51 -13.77 12.17 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.986 0.915 . . . . 73.030000000000001 112.382 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' ' 58' ' ' LEU . 59.0 ttm -71.14 130.72 42.21 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.345 1.058 . . . . 72.030000000000001 113.824 -167.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -83.23 167.05 18.05 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.958 0.903 . . . . 74.409999999999997 111.88 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.69 -44.2 66.13 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 124.732 1.213 . . . . 75.120000000000005 112.649 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.05 -40.08 88.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.516 1.127 . . . . 61.409999999999997 112.725 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -78.43 -31.53 48.16 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.851 0.86 . . . . 72.340000000000003 111.295 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 HD21 ' SD ' ' A' ' 53' ' ' MET . 77.5 mt -65.34 -45.0 85.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.46 1.104 . . . . 72.120000000000005 111.848 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 11.2 pt-20 -67.49 -29.16 68.52 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.878 0.37 . . . . 75.239999999999995 111.53 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.66 -43.24 80.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.944 -0.571 . . . . 72.439999999999998 110.498 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.417 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 58.7 t80 -62.51 -36.88 83.95 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.271 0.629 . . . . 75.120000000000005 111.617 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -56.94 -47.61 80.24 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.982 0.513 . . . . 75.129999999999995 110.749 174.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 m -54.31 -40.21 67.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.64 0.776 . . . . 74.329999999999998 111.856 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD22 HD21 ' A' ' 98' ' ' LEU . 32.2 tp -66.78 -34.36 77.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.001 0.92 . . . . 71.150000000000006 111.846 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD12 ' HB2' ' A' ' 29' ' ' GLN . 38.5 mt -70.47 -27.77 64.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.648 0.779 . . . . 74.420000000000002 111.753 176.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -84.22 -3.48 58.21 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.106 0.562 . . . . 65.120000000000005 112.022 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -84.22 164.45 19.09 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.177 0.513 . . . . 64.430000000000007 110.608 173.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.76 133.23 35.62 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.057 -0.52 . . . . 75.329999999999998 110.568 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 35' ' ' ILE . 7.9 m-20 -46.63 -58.7 3.58 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.066 1.506 . . . . 71.420000000000002 115.066 -172.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -59.78 -35.24 74.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.397 -0.335 . . . . 74.329999999999998 111.56 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.15 -47.26 71.56 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.148 0.579 . . . . 74.409999999999997 110.869 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.531 HD12 HD11 ' A' ' 42' ' ' LEU . 72.4 mt -50.88 -47.24 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 124.447 1.099 . . . . 74.409999999999997 110.463 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.59 -38.84 84.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.031 -1.441 . . . . 74.239999999999995 111.916 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -71.16 -42.24 69.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.201 0.6 . . . . 75.209999999999994 111.449 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -63.56 -34.63 78.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.161 0.505 . . . . 73.530000000000001 110.471 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -71.14 -32.18 68.63 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.809 0.844 . . . . 73.019999999999996 112.742 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -102.04 11.92 37.66 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.613 0.765 . . . . 74.519999999999996 112.222 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 55.07 70.91 0.58 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.984 1.313 . . . . 75.099999999999994 112.492 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -140.54 102.45 4.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.806 0.842 . . . . 74.420000000000002 109.014 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.76 5.17 15.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.633 0.773 . . . . 72.209999999999994 111.733 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.65 -40.2 63.91 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.032 0.933 . . . . 75.010000000000005 110.789 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -97.38 -33.53 11.38 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.478 0.711 . . . . 73.129999999999995 111.968 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -134.98 92.9 17.92 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.286 0.634 . . . . 74.129999999999995 110.695 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.24 154.14 69.76 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.1 2.533 . . . . 72.319999999999993 112.994 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.94 123.35 66.37 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 123.148 0.579 . . . . 63.149999999999999 111.713 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.475 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 16.4 Cg_exo -70.18 153.08 67.34 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.694 2.263 . . . . 75.200000000000003 112.639 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.14 -32.59 68.3 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.032 0.933 . . . . 74.450000000000003 112.183 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.475 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 62.6 pttt -63.36 -25.43 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.527 0.731 . . . . 75.129999999999995 112.436 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.45 ' HB3' HD21 ' A' ' 95' ' ' LEU . 31.4 m95 -100.75 -26.63 13.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.192 0.597 . . . . 74.409999999999997 112.217 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.71 71.44 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.381 0.672 . . . . 74.340000000000003 112.543 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -105.27 2.12 28.7 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.434 0.694 . . . . 70.420000000000002 112.303 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -81.79 128.26 33.83 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.81 0.67 . . . . 75.420000000000002 112.81 -171.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -60.51 -38.44 84.37 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.29 1.036 . . . . 72.430000000000007 110.823 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.07 -48.25 80.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.994 0.918 . . . . 75.140000000000001 112.471 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 89' ' ' TRP . 27.9 tp -62.06 -40.16 94.85 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.806 0.442 . . . . 73.450000000000003 111.272 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.31 -49.47 76.89 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.515 0.726 . . . . 72.319999999999993 110.613 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.208 1.003 . . . . 75.219999999999999 111.711 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 64' ' ' LEU . 35.6 tp -67.55 -44.59 77.93 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.76 0.824 . . . . 74.310000000000002 111.522 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 79.3 mt-30 -64.91 -37.57 88.07 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.575 0.75 . . . . 74.409999999999997 111.388 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.7 -35.31 79.83 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.406 0.683 . . . . 73.230000000000004 111.098 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.8 -34.75 69.65 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.518 0.327 . . . . 71.219999999999999 110.713 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 64.5 m -60.66 -32.75 71.93 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 122.746 0.419 . . . . 72.439999999999998 111.313 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.56 -33.34 60.63 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.6 -0.727 . . . . 72.219999999999999 111.576 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.487 ' HB3' ' HB3' ' A' ' 108' ' ' GLU . 46.8 m-80 -117.96 39.36 3.4 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.219 1.007 . . . . 73.420000000000002 113.016 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -67.29 -55.5 13.64 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.426 0.632 . . . . 75.409999999999997 110.375 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -124.93 14.99 8.56 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.59 1.156 . . . . 52.340000000000003 110.027 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -117.28 -9.84 10.88 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.519 0.933 . . . . 71.5 113.519 -168.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 104' ' ' ASN . 0.8 OUTLIER -66.71 132.23 47.66 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.393 0.677 . . . . 71.230000000000004 111.205 -177.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.496 1.87 0 C-N-CA 123.845 0.858 . . . . 73.099999999999994 111.9 -177.831 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 CA--C 1.566 1.564 0 CA-C-O 118.531 -0.747 . . . . 73.510000000000005 109.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.46 58.34 Favored Glycine 0 C--N 1.365 2.183 0 N-CA-C 116.981 1.552 . . . . 65.219999999999999 116.981 168.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -79.47 -81.86 0.11 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.019 0.91 . . . . 60.340000000000003 111.121 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -92.35 80.62 4.94 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 109.112 -0.699 . . . . 75.140000000000001 109.112 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -104.51 146.86 28.27 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.747 0.819 . . . . 73.150000000000006 112.44 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -131.94 -78.43 0.51 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.665 0.786 . . . . 63.049999999999997 109.812 169.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -141.77 -79.56 0.25 Allowed 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.337 0.655 . . . . 75.409999999999997 111.051 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 58.54 -163.54 0.21 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.896 0.879 . . . . 70.319999999999993 110.95 -168.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m 67.85 -173.56 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.48 0.919 . . . . 65.209999999999994 113.48 170.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -89.97 -46.55 8.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.108 0.563 . . . . 74.420000000000002 111.715 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.8 mmt 63.05 178.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.718 1.207 . . . . 73.340000000000003 113.355 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.53 145.74 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 C-N-CA 123.97 0.908 . . . . 74.349999999999994 110.235 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.59 94.09 2.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.863 0.865 . . . . 71.349999999999994 111.138 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -94.76 -27.99 15.51 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.38 0.672 . . . . 71.120000000000005 112.286 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -73.45 110.14 7.51 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.99 0.516 . . . . 60.009999999999998 111.064 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -150.93 -176.6 5.59 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 70.450000000000003 111.12 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -101.1 117.65 61.89 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 122.901 0.48 . . . . 70.409999999999997 109.711 166.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD2' ' HD3' ' A' ' 21' ' ' LYS . 51.0 Cg_exo -55.35 154.0 25.64 Favored 'Trans proline' 0 C--N 1.388 2.637 0 C-N-CA 123.133 2.555 . . . . 75.329999999999998 112.537 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 55' ' ' GLU . 4.3 mm? -60.28 -28.7 68.29 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.304 0.853 . . . . 75.030000000000001 113.304 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.98 -47.81 81.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.262 0.625 . . . . 73.409999999999997 111.235 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HD3' ' HD2' ' A' ' 18' ' ' PRO . 52.1 mtpt -74.18 -29.58 61.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.297 0.639 . . . . 75.030000000000001 112.158 177.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HZ2' ' HB3' ' A' ' 59' ' ' GLU . 83.0 tttt -72.49 -53.76 11.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.954 0.902 . . . . 74.25 110.134 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 34.9 ttp-105 -55.78 -41.18 73.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.289 1.036 . . . . 73.120000000000005 111.375 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.67 95.46 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.088 0.555 . . . . 71.329999999999998 111.631 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.85 -32.47 73.01 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.255 1.022 . . . . 65.349999999999994 111.867 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HB2' HD22 ' A' ' 50' ' ' LEU . 93.5 mt -74.89 -44.11 50.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.945 0.498 . . . . 72.040000000000006 111.58 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.69 HG12 ' HB2' ' A' ' 46' ' ' ALA . 53.7 mt -62.51 -33.47 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 121.122 0.486 . . . . 74.409999999999997 110.587 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 123.944 0.898 . . . . 73.530000000000001 111.953 170.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.631 ' HB2' HD12 ' A' ' 65' ' ' LEU . 26.6 mt-30 -74.52 -17.15 60.79 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.12 0.568 . . . . 65.510000000000005 112.377 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.5 p -83.75 -26.41 29.7 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.77 0.428 . . . . 70.340000000000003 111.229 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 76.5 mtp180 -85.58 -9.65 57.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.275 0.63 . . . . 73.340000000000003 111.514 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -107.59 111.22 23.36 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.47 -0.567 . . . . 73.150000000000006 109.47 164.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.651 ' HD2' HD11 ' A' ' 42' ' ' LEU . 4.6 mmp_? -138.09 -168.26 2.32 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.283 1.033 . . . . 74.140000000000001 110.133 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.38 -44.89 3.37 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 116.091 -0.504 . . . . 74.530000000000001 112.657 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.9 pt -117.71 150.92 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.557 0.743 . . . . 75.519999999999996 110.84 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.81 -19.87 61.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.329 0.651 . . . . 75.319999999999993 112.71 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.09 -43.9 85.96 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.818 0.281 . . . . 70.319999999999993 111.48 171.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.5 m -73.44 -29.79 62.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.248 0.219 . . . . 71.239999999999995 111.179 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -57.62 -58.14 9.63 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 117.851 0.296 . . . . 73.140000000000001 111.055 168.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.3 -31.75 72.39 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.432 0.693 . . . . 75.519999999999996 112.054 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -69.01 -60.24 2.49 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.256 0.623 . . . . 75.040000000000006 111.134 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.651 HD11 ' HD2' ' A' ' 33' ' ' ARG . 40.4 mt -74.47 -33.21 62.82 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.574 0.953 . . . . 63.119999999999997 113.574 -173.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -70.54 -37.07 74.0 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 118.234 0.47 . . . . 75.420000000000002 111.557 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -41.82 89.07 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 121.438 0.465 . . . . 40.149999999999999 112.045 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -60.98 -33.63 73.51 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.449 1.1 . . . . 75.340000000000003 110.338 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.34 -40.34 64.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.465 0.706 . . . . 70.299999999999997 112.237 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.13 74.94 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.188 0.518 . . . . 71.530000000000001 112.05 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -87.87 -54.62 4.15 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.581 0.752 . . . . 75.409999999999997 112.544 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.415 ' HB3' ' HE1' ' A' ' 53' ' ' MET . 58.1 m-85 -82.59 -41.32 19.68 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.935 1.087 . . . . 71.329999999999998 113.935 -170.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -60.59 -22.1 63.36 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 119.182 0.901 . . . . 75.140000000000001 111.995 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -29.93 70.79 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 124.056 0.942 . . . . 74.310000000000002 112.068 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -118.45 -24.06 6.96 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.292 1.219 . . . . 74.409999999999997 114.292 -177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 49' ' ' TYR . 52.0 mtm -71.43 148.48 46.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 112.921 0.711 . . . . 73.239999999999995 112.921 -170.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -81.85 166.93 19.52 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.656 -1.156 . . . . 72.400000000000006 111.284 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' HG2' HD11 ' A' ' 19' ' ' LEU . 43.5 mt-10 -50.22 -46.34 54.58 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.269 1.028 . . . . 75.230000000000004 112.692 -177.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.51 -36.22 83.48 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.724 0.81 . . . . 65.549999999999997 112.81 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.08 -40.04 68.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.468 0.707 . . . . 71.010000000000005 111.34 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD23 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -60.23 -44.98 94.74 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.71 1.004 . . . . 75.340000000000003 113.71 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB3' ' HZ2' ' A' ' 22' ' ' LYS . 8.3 pt-20 -73.86 -26.2 60.44 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.95 -0.469 . . . . 72.230000000000004 111.404 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.92 -37.33 78.87 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 120.956 0.407 . . . . 73.430000000000007 110.436 168.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 55.2 t80 -64.61 -34.31 77.97 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.391 0.676 . . . . 73.409999999999997 111.201 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' HA ' HD13 ' A' ' 65' ' ' LEU . 53.6 t0 -56.99 -46.99 81.85 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.227 0.611 . . . . 71.040000000000006 109.96 172.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -59.33 -34.35 72.24 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.463 0.705 . . . . 72.200000000000003 112.651 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD22 HD22 ' A' ' 98' ' ' LEU . 41.6 tp -67.82 -35.14 78.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.414 0.685 . . . . 73.420000000000002 111.237 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 29' ' ' GLN . 37.5 mt -70.76 -23.19 62.37 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.855 0.862 . . . . 73.219999999999999 111.428 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -88.6 7.43 33.38 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.1 0.56 . . . . 74.109999999999999 112.103 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -92.22 171.68 8.91 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.499 0.666 . . . . 71.340000000000003 112.436 174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.34 128.91 35.1 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.945 -1.025 . . . . 72.530000000000001 110.973 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -53.34 -53.09 56.08 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.003 1.321 . . . . 72.430000000000007 114.494 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.49 -35.99 77.26 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 111.887 0.328 . . . . 73.439999999999998 111.887 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.98 -51.48 66.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.654 0.382 . . . . 73.209999999999994 110.702 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 42' ' ' LEU . 64.9 mt -50.3 -44.89 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.108 0.963 . . . . 74.109999999999999 111.283 174.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -67.88 -43.23 79.83 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.821 -1.081 . . . . 74.109999999999999 111.903 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.519 ' HB3' ' HA ' ' A' ' 80' ' ' PHE . 30.9 m-85 -76.55 -28.43 56.29 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 112.933 0.716 . . . . 75.310000000000002 112.933 -177.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.601 ' HB3' HD13 ' A' ' 95' ' ' LEU . 30.6 m0 -68.52 -43.5 76.62 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 109.815 -0.439 . . . . 73.140000000000001 109.815 173.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.38 -52.56 61.16 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.365 1.066 . . . . 75.239999999999995 112.273 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.7 p -68.85 -16.13 63.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.363 0.665 . . . . 72.209999999999994 111.959 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 64.4 21.16 12.41 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.103 1.361 . . . . 74.030000000000001 111.256 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -76.45 -52.76 9.2 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.689 -0.856 . . . . 75.439999999999998 108.689 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HA ' ' HB3' ' A' ' 74' ' ' TYR . 97.3 m-85 65.28 -79.13 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.795 1.638 . . . . 75.219999999999999 110.563 -173.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 51.41 -74.82 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.804 2.042 . . . . 75.200000000000003 113.805 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -96.33 -24.46 16.17 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.137 0.975 . . . . 74.310000000000002 111.686 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -112.66 96.98 39.27 Favored Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.394 1.078 . . . . 70.540000000000006 110.841 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.06 169.84 20.82 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.98 2.454 . . . . 72.540000000000006 113.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -89.16 120.13 69.8 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 122.791 0.436 . . . . 74.349999999999994 111.519 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.63 166.64 28.79 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 123.215 2.61 . . . . 74.129999999999995 113.011 173.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.99 -41.11 87.32 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.97 0.908 . . . . 72.540000000000006 112.317 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -67.45 -13.97 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.601 0.761 . . . . 74.319999999999993 113.011 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -105.65 -15.85 14.85 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.398 0.679 . . . . 74.329999999999998 112.13 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.17 118.43 8.57 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 109.867 -0.419 . . . . 73.140000000000001 109.867 170.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 71.41 26.86 3.2 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 125.696 1.599 . . . . 42.399999999999999 112.501 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -80.64 130.23 34.98 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.052 0.541 . . . . 65.430000000000007 111.776 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HZ3' ' NE2' ' A' ' 97' ' ' GLN . 65.3 tttm -63.76 -43.78 95.38 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.116 0.566 . . . . 74.140000000000001 110.705 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 tp -57.87 -40.5 80.36 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.291 1.036 . . . . 75.129999999999995 111.749 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 75' ' ' TRP . 47.7 tp -62.05 -48.29 80.91 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.748 -0.66 . . . . 73.420000000000002 111.244 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -58.75 -41.57 86.82 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.654 0.781 . . . . 74.099999999999994 111.498 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' NE2' ' HZ3' ' A' ' 93' ' ' LYS . 99.5 mt-30 -59.52 -43.25 93.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.525 1.13 . . . . 73.200000000000003 111.584 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.42 HD22 HD22 ' A' ' 64' ' ' LEU . 37.6 tp -70.04 -36.77 75.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.062 0.945 . . . . 73.340000000000003 112.141 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.65 -49.57 62.22 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.567 0.747 . . . . 71.030000000000001 112.186 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.14 -27.63 64.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.868 0.467 . . . . 65.340000000000003 110.784 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.93 -50.74 65.26 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.801 0.441 . . . . 74.299999999999997 110.802 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 t -55.0 -28.48 52.3 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.472 0.709 . . . . 74.420000000000002 112.502 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.32 -44.73 71.12 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.722 0.809 . . . . 73.129999999999995 111.89 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -116.84 22.6 12.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.083 0.953 . . . . 74.430000000000007 112.82 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.4 -29.32 70.39 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.452 1.279 . . . . 75.319999999999993 114.452 -169.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -115.2 20.06 15.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.64 0.776 . . . . 73.239999999999995 111.509 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -93.06 77.84 4.64 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.435 0.635 . . . . 73.450000000000003 111.493 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -107.29 -175.4 2.78 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.436 0.695 . . . . 72.230000000000004 109.539 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.494 1.768 0 C-N-CA 123.569 0.748 . . . . 73.019999999999996 111.856 177.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.407 0.146 . . . . 71.140000000000001 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.66 -175.02 40.71 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 114.521 0.568 . . . . 74.519999999999996 114.521 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 69.1 1.6 3.27 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 125.261 1.425 . . . . 71.019999999999996 114.304 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -144.92 -7.35 0.65 Allowed 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.749 1.018 . . . . 74.109999999999999 113.749 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -76.88 -42.52 39.5 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.72 0.637 . . . . 72.540000000000006 112.72 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.0 m80 64.53 31.19 12.53 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 124.241 1.016 . . . . 74.219999999999999 112.862 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -70.58 88.3 0.68 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.633 0.73 . . . . 75.230000000000004 109.561 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -78.4 -17.68 56.07 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.975 0.91 . . . . 71.109999999999999 113.094 -173.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t 59.95 -166.19 0.19 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.203 1.001 . . . . 63.109999999999999 111.197 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -134.23 146.16 49.84 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.463 0.705 . . . . 73.150000000000006 110.006 171.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.8 mtt -111.98 -170.46 1.66 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.746 0.818 . . . . 75.409999999999997 110.049 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.1 92.11 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 123.042 0.537 . . . . 71.519999999999996 110.134 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -102.35 140.03 37.17 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.093 0.957 . . . . 70.519999999999996 110.536 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.7 mtt85 56.27 82.79 0.1 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.106 1.362 . . . . 73.140000000000001 113.014 174.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -137.34 136.34 37.85 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.557 -0.747 . . . . 75.040000000000006 110.893 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.97 -50.06 6.92 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.645 0.736 . . . . 74.129999999999995 109.463 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 38.6 tt0 -131.86 101.03 15.59 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.36 1.064 . . . . 74.019999999999996 110.338 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.16 160.89 17.63 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.341 2.027 . . . . 64.150000000000006 111.635 159.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -28.6 70.05 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.106 0.562 . . . . 74.049999999999997 111.34 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.2 -41.93 94.01 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.623 0.769 . . . . 74.319999999999993 111.496 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . 93.0 mttt -67.35 -37.27 82.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 111.949 0.351 . . . . 75.099999999999994 111.949 175.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' A' ' 22' ' ' LYS . 2.3 ttmp? -60.3 -49.83 76.05 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 122.588 0.355 . . . . 75.400000000000006 110.996 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -53.7 -50.31 66.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.74 0.816 . . . . 75.319999999999993 111.395 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.83 95.4 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.097 0.559 . . . . 64.230000000000004 112.493 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.93 -42.76 97.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.47 0.708 . . . . 74.239999999999995 111.723 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -44.66 91.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.054 0.541 . . . . 75.099999999999994 111.729 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 79.3 mt -55.86 -42.81 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.904 0.482 . . . . 72.0 110.763 173.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.94 -46.46 90.61 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.218 0.607 . . . . 74.519999999999996 111.907 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.541 ' HB2' HD11 ' A' ' 65' ' ' LEU . 44.3 mt-30 -71.81 -15.52 62.15 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.427 0.691 . . . . 74.540000000000006 112.16 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.7 m -78.99 -40.31 31.87 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.061 0.944 . . . . 75.439999999999998 111.051 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 64.3 mtp180 -80.06 -14.34 58.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.126 -0.943 . . . . 72.430000000000007 110.816 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -86.78 111.2 20.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 107.352 -1.351 . . . . 73.109999999999999 107.352 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -154.38 150.25 27.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.919 0.39 . . . . 74.310000000000002 111.549 -172.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.66 -42.14 40.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.811 -0.632 . . . . 65.140000000000001 113.758 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' A' ' 69' ' ' ASP . 37.6 pt -116.27 154.25 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.842 0.457 . . . . 75.420000000000002 111.44 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.46 -24.29 60.2 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.058 0.943 . . . . 73.129999999999995 112.772 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -64.53 -53.24 51.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.371 0.605 . . . . 72.120000000000005 111.433 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.1 m -72.93 -29.65 63.28 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.843 0.857 . . . . 62.210000000000001 111.319 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.52 -58.91 5.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.492 0.717 . . . . 71.200000000000003 112.041 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.61 -27.73 67.93 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.232 0.613 . . . . 74.420000000000002 111.762 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 tp -64.45 -59.68 4.05 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.831 0.852 . . . . 71.450000000000003 111.648 175.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 33' ' ' ARG . 79.9 mt -75.59 -32.54 60.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 74.030000000000001 113.153 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -62.81 -47.11 84.85 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.031 0.532 . . . . 75.239999999999995 110.882 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.44 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 115.456 -0.793 . . . . 74.120000000000005 112.871 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.51 -41.74 97.77 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.799 0.839 . . . . 71.450000000000003 111.254 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.81 -40.13 72.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.148 0.579 . . . . 65.25 112.419 -177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.52 -25.92 64.27 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.295 0.638 . . . . 74.239999999999995 112.237 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -92.04 -54.21 3.93 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.673 0.789 . . . . 74.400000000000006 112.841 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -82.01 -46.2 14.29 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.045 1.128 . . . . 75.310000000000002 114.045 -168.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -54.63 -20.49 8.21 Favored 'General case' 0 N--CA 1.509 2.507 0 N-CA-C 113.74 1.015 . . . . 73.420000000000002 113.74 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 75.6 mmtt -55.33 -42.48 73.85 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.971 0.908 . . . . 72.030000000000001 112.45 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HD3' ' HB2' ' A' ' 51' ' ' LYS . 3.3 mppt? -113.88 -22.57 10.07 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.427 0.691 . . . . 73.25 112.619 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.6 ttp -70.25 133.56 47.15 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.476 0.71 . . . . 63.229999999999997 112.159 -170.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 m120 -70.07 160.02 32.77 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.001 1.111 . . . . 73.329999999999998 114.001 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.79 -51.41 29.36 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 126.224 1.81 . . . . 70.549999999999997 112.061 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.63 -36.49 83.86 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.835 -1.53 . . . . 64.329999999999998 112.666 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.11 -32.22 68.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.382 0.673 . . . . 75.329999999999998 111.19 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.499 HD23 ' HG ' ' A' ' 50' ' ' LEU . 44.7 mt -64.72 -32.37 74.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.126 0.971 . . . . 75.120000000000005 112.194 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.2 -28.81 60.14 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.025 0.53 . . . . 73.420000000000002 111.742 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.75 -34.62 75.9 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.98 -0.378 . . . . 74.109999999999999 109.98 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.8 t80 -66.64 -38.5 87.0 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.0 0.37 . . . . 70.349999999999994 112.0 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.34 -40.36 81.96 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.36 0.664 . . . . 65.019999999999996 110.8 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -58.79 -41.85 87.7 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.569 0.748 . . . . 75.219999999999999 111.718 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 HD23 ' A' ' 98' ' ' LEU . 33.4 tp -69.09 -34.95 75.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.467 0.707 . . . . 73.200000000000003 111.613 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 29' ' ' GLN . 84.6 mt -69.98 -18.95 63.36 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.215 0.606 . . . . 74.450000000000003 111.576 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.31 -0.91 52.34 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.122 0.969 . . . . 65.329999999999998 112.212 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.04 169.37 18.31 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.341 0.657 . . . . 70.010000000000005 111.332 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.51 140.47 44.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.121 0.568 . . . . 73.219999999999999 111.35 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.616 ' HB3' HG12 ' A' ' 35' ' ' ILE . 25.2 m-20 -51.39 -69.27 0.12 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.559 1.144 . . . . 74.409999999999997 113.497 -172.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -54.34 -36.81 64.2 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.323 0.649 . . . . 72.109999999999999 112.701 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.62 -49.47 76.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.652 0.781 . . . . 63.100000000000001 111.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.32 -43.84 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 C-N-CA 123.655 0.782 . . . . 65.439999999999998 110.973 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -65.21 -46.57 80.17 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.801 -1.09 . . . . 73.510000000000005 111.72 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.04 -33.12 71.56 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.704 0.631 . . . . 74.430000000000007 112.704 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -66.84 -39.88 87.78 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.081 0.467 . . . . 72.109999999999999 110.667 174.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 102' ' ' SER . . . -70.72 -34.42 71.88 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.538 -0.756 . . . . 72.340000000000003 111.934 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.4 p -98.69 15.21 25.96 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.603 0.761 . . . . 64.140000000000001 112.606 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 tttp 67.47 4.84 3.98 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 124.197 0.999 . . . . 74.200000000000003 113.222 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -88.1 69.87 9.29 Favored 'General case' 0 CA--C 1.561 1.372 0 O-C-N 120.9 -1.125 . . . . 71.310000000000002 110.626 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -81.09 -11.43 59.49 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.756 0.822 . . . . 71.200000000000003 113.04 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -57.28 -44.27 83.86 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.381 0.673 . . . . 71.25 111.623 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -86.25 -41.81 14.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.056 -0.975 . . . . 63.0 111.852 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 m -126.63 94.93 39.05 Favored Pre-proline 0 N--CA 1.493 1.713 0 C-N-CA 123.088 0.555 . . . . 74.450000000000003 110.784 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.13 151.19 80.42 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.016 2.477 . . . . 64.120000000000005 112.98 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -82.5 119.99 75.84 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 122.659 0.384 . . . . 72.439999999999998 110.887 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.592 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.1 Cg_exo -74.26 157.89 45.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.795 2.33 . . . . 75.439999999999998 112.445 173.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.49 -31.48 70.51 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.186 0.994 . . . . 74.010000000000005 112.14 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.592 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -61.18 -26.51 67.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.092 0.957 . . . . 74.349999999999994 113.315 178.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -107.17 -10.77 15.77 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 112.671 0.619 . . . . 75.25 112.671 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.09 71.4 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.689 0.795 . . . . 73.349999999999994 113.114 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.83 4.74 21.98 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.452 0.701 . . . . 75.209999999999994 112.33 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -73.59 126.58 30.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.279 0.632 . . . . 74.400000000000006 112.663 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -52.96 -48.35 67.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.574 1.149 . . . . 72.319999999999993 111.324 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.55 -47.22 66.9 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.085 1.354 . . . . 71.329999999999998 113.789 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.51 -41.63 98.96 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.385 -0.371 . . . . 71.549999999999997 111.466 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.5 87.02 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.3 -0.409 . . . . 75.349999999999994 110.826 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.8 -42.51 93.61 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.634 0.774 . . . . 75.409999999999997 111.273 171.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD23 HD23 ' A' ' 64' ' ' LEU . 42.9 tp -67.7 -39.92 84.35 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.188 0.995 . . . . 75.420000000000002 111.615 -177.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.27 -38.91 82.21 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.699 0.8 . . . . 74.340000000000003 111.49 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -61.68 -43.27 99.18 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.247 0.619 . . . . 74.409999999999997 111.12 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -69.87 -44.6 69.48 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.352 -0.385 . . . . 75.310000000000002 111.87 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 35.2 t -51.95 -50.52 61.03 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.891 0.876 . . . . 72.040000000000006 112.895 -173.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -75.21 -34.67 61.5 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 122.851 0.46 . . . . 74.519999999999996 111.679 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -111.92 40.12 2.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 74.25 112.516 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.39 -59.57 4.52 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.023 0.439 . . . . 65.549999999999997 110.183 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -146.04 -74.8 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.69 1.196 . . . . 72.349999999999994 108.904 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.27 101.73 3.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.471 1.108 . . . . 72.109999999999999 110.659 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -160.99 178.04 9.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.493 0.717 . . . . 73.420000000000002 111.312 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 N--CA 1.481 1.094 0 C-N-CA 123.009 0.523 . . . . 72.219999999999999 110.669 175.817 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.837 -0.061 . . . . 73.549999999999997 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.52 72.33 0.09 OUTLIER Glycine 0 C--N 1.349 1.3 0 O-C-N 123.163 0.29 . . . . 71.409999999999997 112.667 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -102.51 163.47 12.21 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.195 0.522 . . . . 74.019999999999996 111.814 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -142.05 165.74 26.63 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.057 0.943 . . . . 65.310000000000002 110.297 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -83.95 153.28 24.0 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.237 0.615 . . . . 75.319999999999993 110.805 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -76.0 82.77 2.88 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.406 0.622 . . . . 75.120000000000005 109.931 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -97.27 71.63 2.39 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 121.63 0.729 . . . . 72.430000000000007 110.705 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -162.24 11.69 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.015 -0.993 . . . . 73.239999999999995 110.821 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -88.64 170.77 10.53 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.384 0.674 . . . . 72.510000000000005 111.576 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -82.05 90.77 6.54 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.961 0.505 . . . . 74.329999999999998 111.108 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ttt -145.43 75.02 1.42 Allowed 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.872 0.844 . . . . 71.120000000000005 111.506 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.82 75.79 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.451 -1.314 . . . . 63.229999999999997 107.451 165.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -109.65 -30.3 7.96 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.358 -0.837 . . . . 71.5 112.387 -169.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -68.2 107.59 2.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.472 0.545 . . . . 74.409999999999997 112.472 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -115.02 162.54 16.85 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.206 1.003 . . . . 55.140000000000001 108.357 165.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 72.6 164.29 0.28 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.403 1.081 . . . . 73.219999999999999 112.107 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 50.69 62.82 10.93 Favored Pre-proline 0 CA--C 1.561 1.389 0 CA-C-N 115.183 -0.917 . . . . 70.129999999999995 109.536 -161.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.42 143.85 97.82 Favored 'Trans proline' 0 C--N 1.392 2.817 0 C-N-CA 122.67 2.247 . . . . 73.450000000000003 111.572 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.66 -32.07 66.94 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.182 0.593 . . . . 73.540000000000006 112.222 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.88 -49.81 76.37 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 123.699 0.8 . . . . 74.129999999999995 110.726 173.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.61 -27.04 51.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.244 1.018 . . . . 72.420000000000002 112.83 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' NZ ' HD12 ' A' ' 26' ' ' LEU . 52.7 tttm -71.9 -45.81 59.93 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.145 -0.687 . . . . 74.530000000000001 109.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HA ' HD23 ' A' ' 50' ' ' LEU . 98.7 mtt180 -57.92 -47.1 83.85 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.091 -0.959 . . . . 74.340000000000003 110.511 172.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.66 88.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.92 0.488 . . . . 71.219999999999999 111.803 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -69.52 -38.51 77.59 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.386 1.074 . . . . 74.319999999999993 112.239 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD12 ' NZ ' ' A' ' 22' ' ' LYS . 85.2 mt -72.65 -44.86 61.32 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.412 0.285 . . . . 70.400000000000006 111.104 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG12 ' HB2' ' A' ' 46' ' ' ALA . 66.1 mt -61.98 -31.02 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 123.615 0.766 . . . . 75.409999999999997 111.129 173.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -63.74 -48.19 77.99 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 122.003 -0.436 . . . . 75.299999999999997 111.203 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.554 ' HB2' HD12 ' A' ' 65' ' ' LEU . 23.6 mt-30 -80.68 -6.16 58.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.63 0.604 . . . . 74.230000000000004 112.63 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.519 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 59.9 p -85.87 -28.91 24.09 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.818 0.447 . . . . 73.120000000000005 109.98 167.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -84.76 -19.36 32.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.633 -0.712 . . . . 74.409999999999997 111.764 170.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -93.85 111.06 22.7 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 106.986 -1.487 . . . . 73.109999999999999 106.986 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -148.74 169.51 20.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.51 0.724 . . . . 74.409999999999997 111.51 -163.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.86 -58.98 3.58 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.011 -0.995 . . . . 74.510000000000005 111.425 165.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 69' ' ' ASP . 36.1 pt -108.01 149.25 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 122.992 0.517 . . . . 75.329999999999998 111.552 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.5 mm? -74.02 -16.83 61.04 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.876 0.695 . . . . 74.400000000000006 112.876 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.55 -46.09 64.24 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 118.268 0.486 . . . . 65.239999999999995 111.422 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.417 ' H ' HG13 ' A' ' 35' ' ' ILE . 46.8 m -70.31 -30.01 66.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.048 0.539 . . . . 61.5 110.832 174.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 3.3 t70 -54.47 -57.99 9.2 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.788 0.435 . . . . 72.230000000000004 111.024 168.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.413 0.685 . . . . 72.140000000000001 112.287 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.01 -60.31 3.18 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.724 0.81 . . . . 73.150000000000006 111.844 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 75.7 mt -75.77 -27.38 58.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.101 0.778 . . . . 74.010000000000005 113.101 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 t -64.32 -50.46 67.74 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.346 0.658 . . . . 74.319999999999993 111.166 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.39 94.67 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 115.822 -0.626 . . . . 70.420000000000002 112.852 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.77 -43.15 94.49 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.704 0.801 . . . . 73.099999999999994 110.692 176.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.668 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -66.97 -46.02 75.94 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.109 -0.95 . . . . 75.340000000000003 112.152 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.14 73.23 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.861 -0.609 . . . . 75.450000000000003 112.466 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -83.53 -54.22 5.11 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.073 0.549 . . . . 74.420000000000002 111.93 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.458 ' HB3' ' HE3' ' A' ' 53' ' ' MET . 51.1 m-85 -81.72 -41.42 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.863 1.06 . . . . 72.540000000000006 113.863 -168.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.9 mp -59.48 -37.95 79.58 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.005 0.743 . . . . 75.209999999999994 113.005 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.86 -33.65 70.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.579 0.751 . . . . 74.340000000000003 112.296 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 49' ' ' TYR . 19.2 pttp -99.7 -13.77 19.18 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.288 0.635 . . . . 74.409999999999997 112.168 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' A' ' 49' ' ' TYR . 64.0 mtm -88.37 139.97 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.445 0.64 . . . . 74.230000000000004 111.863 176.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -90.44 173.98 7.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.06 0.944 . . . . 73.25 109.905 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.83 -33.71 75.81 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.449 0.699 . . . . 75.530000000000001 112.401 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.15 -30.41 71.47 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.852 0.861 . . . . 73.129999999999995 112.532 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.57 -45.86 16.68 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 123.693 0.797 . . . . 73.420000000000002 111.039 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD21 ' HG ' ' A' ' 50' ' ' LEU . 20.9 mt -58.16 -27.36 63.74 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.649 1.351 . . . . 72.25 114.649 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.01 -32.02 73.55 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.16 0.437 . . . . 75.120000000000005 112.082 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.73 -37.44 65.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.066 0.46 . . . . 72.200000000000003 109.955 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.469 ' HH ' ' HB3' ' A' ' 30' ' ' SER . 69.6 t80 -67.83 -31.5 71.38 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.011 -0.54 . . . . 71.519999999999996 111.651 175.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.07 -35.28 74.81 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 73.120000000000005 109.931 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 m -75.31 -30.12 60.23 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.451 -1.25 . . . . 70.140000000000001 112.248 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.44 -32.35 73.15 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.362 0.665 . . . . 72.310000000000002 111.876 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 29' ' ' GLN . 59.9 mt -71.02 -19.27 62.53 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.437 0.695 . . . . 74.430000000000007 112.018 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -82.62 -11.39 58.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.752 0.821 . . . . 75.140000000000001 111.663 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -84.33 168.02 16.01 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.527 0.68 . . . . 75.400000000000006 112.17 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.3 mt -81.04 128.47 33.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.02 -0.991 . . . . 63.329999999999998 111.086 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.6 m-20 -42.57 -63.54 0.76 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 114.77 1.396 . . . . 75.239999999999995 114.77 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -59.24 -36.99 76.45 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.452 0.301 . . . . 74.239999999999995 111.794 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.61 -45.83 81.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.874 0.469 . . . . 62.340000000000003 111.113 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.6 mt -56.58 -45.34 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 123.769 0.828 . . . . 74.420000000000002 110.365 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.29 -42.96 99.13 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.04 -0.982 . . . . 74.230000000000004 111.565 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -74.84 -37.23 62.31 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.154 0.427 . . . . 75.209999999999994 112.154 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -62.71 -39.74 95.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.01 0.433 . . . . 71.400000000000006 109.984 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 -33.46 73.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.118 0.967 . . . . 63.340000000000003 112.977 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -93.54 5.64 50.91 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.947 0.499 . . . . 73.219999999999999 112.012 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 65.85 12.79 8.62 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.064 1.346 . . . . 75.310000000000002 112.303 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.47 64.72 6.31 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.839 0.828 . . . . 74.299999999999997 110.383 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -74.54 -12.24 60.42 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.514 0.726 . . . . 74.109999999999999 112.313 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.39 -36.83 79.0 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.978 0.911 . . . . 74.450000000000003 112.196 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.7 m -90.81 -50.76 5.72 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.359 0.664 . . . . 74.450000000000003 110.411 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 m -111.14 106.19 57.29 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 123.562 0.745 . . . . 73.420000000000002 110.978 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.45 147.23 70.69 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.524 2.149 . . . . 73.219999999999999 112.225 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -82.66 122.05 78.27 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 122.979 0.511 . . . . 74.310000000000002 111.024 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.63 160.91 46.9 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.156 2.571 . . . . 74.219999999999999 112.822 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.04 -34.63 78.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.649 0.78 . . . . 74.129999999999995 111.732 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.57 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -77.22 9.02 3.39 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.421 0.897 . . . . 74.129999999999995 113.421 174.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -136.2 4.73 2.97 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 123.912 0.885 . . . . 70.129999999999995 111.742 164.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.46 107.06 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.118 0.567 . . . . 72.109999999999999 111.49 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 62.4 25.88 15.44 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.631 1.172 . . . . 74.340000000000003 112.402 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -66.82 140.66 57.83 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.62 0.368 . . . . 73.200000000000003 111.085 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.57 -42.02 95.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.399 1.079 . . . . 75.400000000000006 111.523 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.1 -45.05 87.88 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.821 0.849 . . . . 73.450000000000003 112.002 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.12 -44.24 97.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.942 0.497 . . . . 75.530000000000001 111.282 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.71 -42.33 83.53 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.065 0.546 . . . . 73.420000000000002 111.378 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.28 -43.2 98.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.323 0.649 . . . . 74.439999999999998 111.735 173.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.85 -39.89 94.28 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.237 1.015 . . . . 74.140000000000001 111.878 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.01 -49.03 69.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.875 0.87 . . . . 71.319999999999993 111.481 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.35 -25.84 64.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.541 -0.754 . . . . 73.239999999999995 111.48 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 105' ' ' LYS . 72.8 t80 -75.0 -36.72 61.95 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.694 0.398 . . . . 75.450000000000003 111.836 174.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -54.91 -41.56 71.11 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 122.79 0.436 . . . . 62.25 111.679 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.29 -10.07 59.73 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.186 0.81 . . . . 71.049999999999997 113.186 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -116.61 19.05 14.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.656 0.782 . . . . 64.120000000000005 113.05 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' HB2' ' HZ1' ' A' ' 105' ' ' LYS . 10.6 mtmp? -69.63 -53.67 17.63 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.169 0.509 . . . . 74.430000000000007 110.367 173.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -119.15 12.9 12.79 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.06 0.944 . . . . 53.329999999999998 110.912 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? 60.48 103.77 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 125.549 1.54 . . . . 74.519999999999996 111.911 -173.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -144.1 -173.45 4.01 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.318 1.047 . . . . 75.230000000000004 109.907 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.495 0.664 . . . . 74.420000000000002 109.581 174.141 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 120.302 0.096 . . . . 74.510000000000005 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.13 -175.98 21.58 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 114.354 0.502 . . . . 73.400000000000006 114.354 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -83.49 92.75 7.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.511 0.724 . . . . 71.340000000000003 110.968 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -89.69 106.57 18.55 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.66 0.784 . . . . 73.540000000000006 109.853 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.9 160.08 14.53 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.471 0.708 . . . . 75.120000000000005 112.349 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -90.37 151.74 21.31 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.776 0.83 . . . . 75.200000000000003 111.356 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -140.71 164.07 31.19 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.885 0.874 . . . . 75.329999999999998 110.709 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -77.18 162.94 27.01 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.412 0.685 . . . . 74.310000000000002 111.202 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -68.67 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.243 0.617 . . . . 72.209999999999994 111.076 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -154.25 146.7 24.0 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 123.873 0.869 . . . . 75.209999999999994 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 mmt -85.44 115.13 22.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.653 -0.499 . . . . 72.019999999999996 109.653 168.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.17 113.2 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.318 0.647 . . . . 73.140000000000001 109.61 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -69.67 99.95 1.4 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 122.84 0.456 . . . . 75.010000000000005 110.398 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -158.15 131.24 7.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.793 0.837 . . . . 75.230000000000004 109.495 175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p -75.82 78.63 2.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.918 0.866 . . . . 71.340000000000003 110.791 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.03 131.59 43.1 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.356 -0.838 . . . . 73.219999999999999 110.479 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 63.35 91.68 0.07 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.999 1.32 . . . . 72.230000000000004 110.628 -170.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.564 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 72.7 Cg_exo -50.85 144.36 27.25 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.805 2.337 . . . . 72.349999999999994 112.908 170.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -24.31 64.76 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.274 0.63 . . . . 74.299999999999997 110.393 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.66 -37.15 75.36 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.503 0.721 . . . . 75.129999999999995 111.806 166.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 60.5 mttm -72.91 -35.84 67.16 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 122.956 0.502 . . . . 74.329999999999998 111.845 174.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 54.7 tptt -56.65 -49.42 75.07 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.453 0.701 . . . . 74.25 110.127 169.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.34 -45.54 92.75 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.992 1.317 . . . . 72.530000000000001 111.408 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.45 91.01 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.013 0.525 . . . . 73.129999999999995 111.774 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -58.74 -42.48 88.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.686 0.795 . . . . 75.530000000000001 111.489 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.9 mt -66.17 -51.53 56.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.886 -0.597 . . . . 73.099999999999994 111.678 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -56.46 -33.99 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 123.221 0.609 . . . . 64.230000000000004 110.871 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.14 -49.95 70.14 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 124.29 1.036 . . . . 75.409999999999997 111.568 174.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.609 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.0 mt-30 -69.19 -19.53 63.99 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.395 0.678 . . . . 73.340000000000003 111.944 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 m -76.48 -38.89 54.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.117 0.967 . . . . 73.120000000000005 110.761 172.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.29 -9.79 59.39 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.031 0.933 . . . . 63.310000000000002 112.214 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 5.1 mptp? -108.7 110.68 22.16 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.027 -0.731 . . . . 75.120000000000005 109.027 169.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.98 148.28 27.54 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.49 0.716 . . . . 70.319999999999993 110.675 -178.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.54 -16.26 80.47 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-N 116.565 -0.289 . . . . 74.420000000000002 113.596 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.14 130.36 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.674 0.79 . . . . 73.109999999999999 109.917 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.9 -38.11 87.87 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.318 0.647 . . . . 72.129999999999995 112.094 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -60.71 -48.41 81.91 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.817 0.447 . . . . 75.140000000000001 111.356 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -69.24 -32.06 71.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 73.230000000000004 111.747 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.03 -56.3 18.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.657 0.783 . . . . 75.340000000000003 110.736 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.43 -29.81 69.39 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.477 0.711 . . . . 75.310000000000002 111.571 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.1 -59.47 5.29 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.831 0.852 . . . . 72.129999999999995 111.276 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.85 -37.49 73.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.916 0.487 . . . . 71.239999999999995 112.04 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.2 m -63.64 -45.16 91.49 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.27 0.628 . . . . 72.120000000000005 111.824 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.18 98.47 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 116.386 -0.37 . . . . 71.129999999999995 112.584 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.57 -35.66 81.24 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.141 0.977 . . . . 71.140000000000001 110.813 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -72.84 -45.6 57.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.287 0.635 . . . . 73.239999999999995 112.374 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.16 65.55 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.931 -0.577 . . . . 64.040000000000006 112.132 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -91.75 -55.07 3.61 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.043 0.937 . . . . 75.239999999999995 113.235 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' HH ' ' HB2' ' A' ' 101' ' ' PHE . 24.7 m-85 -81.17 -38.04 27.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.374 0.879 . . . . 72.319999999999993 113.374 -169.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -60.21 -21.84 62.26 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.939 0.718 . . . . 75.129999999999995 112.939 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.5 mmpt? -54.25 -43.41 70.92 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 70.200000000000003 112.947 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -114.3 -7.56 12.93 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.798 0.666 . . . . 75.310000000000002 112.798 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 37.8 mtm -73.73 137.05 43.77 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.57 0.7 . . . . 75.25 112.382 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.2 173.22 11.63 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 114.63 -1.168 . . . . 73.439999999999998 111.878 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -50.81 -43.88 58.93 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.985 1.314 . . . . 72.530000000000001 111.923 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.9 -36.77 78.44 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.167 -0.924 . . . . 75.409999999999997 111.774 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 29.5 mm-40 -66.8 -48.75 68.02 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.557 0.694 . . . . 73.209999999999994 110.507 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD22 ' HG ' ' A' ' 50' ' ' LEU . 8.8 mt -56.37 -41.41 76.15 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.38 1.252 . . . . 72.409999999999997 114.38 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.09 -28.16 57.45 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 122.103 -0.373 . . . . 72.319999999999993 111.903 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -67.47 -38.26 84.13 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.304 0.573 . . . . 73.200000000000003 109.475 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.73 -34.25 76.48 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.591 0.757 . . . . 71.239999999999995 111.925 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 -48.09 81.7 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.407 0.683 . . . . 74.409999999999997 109.703 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 m -57.62 -36.69 72.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.83 0.852 . . . . 70.150000000000006 112.345 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.3 tp -67.25 -35.66 80.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.355 0.662 . . . . 74.129999999999995 111.404 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.609 HD13 ' HB2' ' A' ' 29' ' ' GLN . 65.3 mt -74.62 -16.35 60.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.431 0.692 . . . . 71.329999999999998 112.141 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -90.4 1.97 56.08 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.086 0.554 . . . . 74.540000000000006 111.758 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -86.77 171.14 11.13 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.552 0.691 . . . . 75.340000000000003 112.245 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.98 121.63 20.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.082 -0.963 . . . . 74.150000000000006 110.531 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.491 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -47.05 -57.56 4.92 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 114.575 1.324 . . . . 74.519999999999996 114.575 -174.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -45.3 74.32 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.015 0.825 . . . . 74.430000000000007 112.303 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.13 -41.21 92.17 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.432 0.693 . . . . 73.010000000000005 111.451 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.84 -43.66 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 123.831 0.852 . . . . 74.310000000000002 111.524 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -68.1 -38.54 82.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.007 0.523 . . . . 74.0 111.502 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -72.54 -27.84 62.48 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.948 0.499 . . . . 71.209999999999994 112.012 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HA ' ' CE1' ' A' ' 80' ' ' PHE . 36.7 m0 -79.06 -36.2 41.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.138 0.575 . . . . 74.530000000000001 110.971 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -63.29 -34.86 78.6 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.673 0.789 . . . . 73.409999999999997 111.641 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.3 -172.6 2.46 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.38 -0.827 . . . . 74.420000000000002 109.843 172.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -103.78 34.14 3.12 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.666 0.746 . . . . 73.409999999999997 110.661 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.43 48.59 1.23 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.225 1.01 . . . . 70.019999999999996 110.834 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 93.5 m-85 -76.59 16.4 0.5 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.784 0.834 . . . . 73.219999999999999 113.003 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -74.98 -65.2 0.9 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.66 0.784 . . . . 75.019999999999996 110.944 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 t -76.61 -33.23 58.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.18 0.592 . . . . 74.310000000000002 112.323 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 m -125.91 91.37 48.4 Favored Pre-proline 0 N--CA 1.487 1.403 0 C-N-CA 123.119 0.568 . . . . 65.519999999999996 109.92 172.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -71.49 161.75 44.46 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.396 2.064 . . . . 73.340000000000003 112.684 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 86' ' ' PRO . 23.2 tp -81.39 123.89 80.85 Favored Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 115.866 -0.606 . . . . 72.200000000000003 111.47 -173.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.492 ' HD2' HD11 ' A' ' 85' ' ' LEU . 84.3 Cg_endo -80.71 163.17 21.26 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.962 2.441 . . . . 75.099999999999994 111.999 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.84 -31.15 71.38 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.93 0.892 . . . . 70.140000000000001 112.549 -175.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -65.47 -24.91 67.28 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.952 0.901 . . . . 73.319999999999993 113.006 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -117.37 4.14 12.54 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.042 0.537 . . . . 74.209999999999994 112.161 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.64 101.89 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.762 0.425 . . . . 73.319999999999993 110.836 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 66.13 32.66 8.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.862 1.265 . . . . 73.5 111.98 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 t -61.1 135.75 57.86 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.907 -0.588 . . . . 75.0 111.044 172.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.16 -49.03 79.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.952 0.901 . . . . 74.200000000000003 110.618 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.16 -48.95 67.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.059 0.943 . . . . 72.099999999999994 112.202 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.53 -42.99 84.01 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.708 -0.678 . . . . 75.340000000000003 111.698 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HB3' ' HZ1' ' A' ' 96' ' ' LYS . 8.3 mtpm? -62.59 -37.38 85.98 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.759 0.423 . . . . 73.5 111.696 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -64.71 -37.15 86.6 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.143 0.577 . . . . 74.099999999999994 111.723 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.1 tp -71.74 -36.14 70.35 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.057 0.943 . . . . 73.030000000000001 111.651 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 97.7 mt-30 -69.0 -41.69 77.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.041 0.936 . . . . 75.209999999999994 111.497 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.18 -38.06 89.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 73.430000000000007 110.859 172.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.462 ' HB2' ' HH ' ' A' ' 49' ' ' TYR . 76.2 t80 -64.92 -44.22 90.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.044 0.538 . . . . 73.299999999999997 111.6 177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.3 m -52.82 -42.58 65.26 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.179 0.592 . . . . 72.510000000000005 111.974 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.55 -51.01 70.35 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.568 0.747 . . . . 72.019999999999996 111.191 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 85.0 m-20 -98.16 14.83 26.3 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.966 0.906 . . . . 71.5 112.986 -170.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -57.65 -46.51 84.11 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.219 1.008 . . . . 75.040000000000006 111.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -113.8 -2.48 13.66 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.276 1.031 . . . . 75.140000000000001 111.045 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.56 2.65 12.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.63 0.772 . . . . 71.25 112.271 -165.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 104' ' ' ASN . 35.3 tt0 -70.47 129.51 39.45 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.521 0.728 . . . . 71.030000000000001 111.349 -176.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.409 HG13 ' HG2' ' A' ' 108' ' ' GLU . 2.7 pp . . . . . 0 N--CA 1.494 1.741 0 C-N-CA 126.076 1.75 . . . . 74.239999999999995 114.822 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.74 0.305 . . . . 65.349999999999994 111.548 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.58 14.64 0.3 Allowed Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.876 -0.602 . . . . 75.310000000000002 113.806 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -75.55 99.41 4.25 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 121.341 0.591 . . . . 73.519999999999996 110.474 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.58 27.56 6.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.304 0.641 . . . . 73.299999999999997 111.503 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -62.98 96.85 0.1 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.192 0.597 . . . . 75.049999999999997 110.696 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -139.76 150.64 45.03 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.782 0.833 . . . . 75.439999999999998 111.13 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -132.92 -37.39 1.01 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.304 1.042 . . . . 62.240000000000002 109.864 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 60.87 19.01 9.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.418 1.087 . . . . 65.230000000000004 111.707 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -76.93 87.3 3.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.293 0.637 . . . . 74.530000000000001 110.702 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -70.75 112.71 7.17 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.517 -0.765 . . . . 74.510000000000005 110.375 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.9 ttp -55.8 104.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.763 0.825 . . . . 72.219999999999999 111.363 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt 63.22 128.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 125.394 1.478 . . . . 74.0 111.307 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.77 53.27 2.65 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 122.034 0.921 . . . . 74.140000000000001 109.87 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -67.76 -37.06 81.6 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.95 1.7 . . . . 75.109999999999999 111.927 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -70.2 81.12 0.52 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.045 0.938 . . . . 61.43 112.546 -175.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -99.78 -18.11 17.37 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.468 1.107 . . . . 73.109999999999999 109.615 171.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.9 148.79 87.27 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.862 0.865 . . . . 74.519999999999996 111.906 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' HD2' ' HD3' ' A' ' 21' ' ' LYS . 70.9 Cg_exo -54.31 151.76 28.13 Favored 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 122.869 2.379 . . . . 70.540000000000006 113.809 167.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -31.6 72.6 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.759 0.823 . . . . 74.310000000000002 110.507 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.45 -40.76 79.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.797 0.839 . . . . 73.519999999999996 111.995 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HD3' ' HD2' ' A' ' 18' ' ' PRO . 39.9 mtpt -61.94 -43.23 99.28 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.367 0.506 . . . . 72.120000000000005 112.367 177.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HZ3' ' HG3' ' A' ' 59' ' ' GLU . 38.5 ttpt -60.87 -46.27 91.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.29 0.236 . . . . 74.120000000000005 111.142 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -49.65 -48.64 49.2 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.825 0.85 . . . . 75.420000000000002 111.516 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.62 95.75 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.911 -0.586 . . . . 61.240000000000002 112.278 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.89 -33.6 74.5 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.931 0.892 . . . . 75.019999999999996 112.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 92.7 mt -71.19 -49.39 44.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.965 0.506 . . . . 64.439999999999998 111.338 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.653 HG12 ' HB2' ' A' ' 46' ' ' ALA . 54.7 mt -60.85 -31.96 50.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 CA-C-N 115.307 -0.861 . . . . 73.340000000000003 110.73 174.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -61.52 -46.7 88.86 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.831 0.853 . . . . 74.319999999999993 111.534 171.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HB2' HD13 ' A' ' 65' ' ' LEU . 48.2 mt-30 -69.37 -22.62 63.71 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 112.681 0.623 . . . . 74.310000000000002 112.681 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.0 p -75.88 -12.91 60.24 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.242 0.217 . . . . 54.329999999999998 111.186 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.71 -16.8 37.83 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.627 0.771 . . . . 73.540000000000006 112.342 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -106.88 111.94 24.68 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.917 -0.771 . . . . 72.329999999999998 108.917 172.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.39 154.64 37.04 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.491 1.117 . . . . 74.129999999999995 109.169 -177.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.44 73.29 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 113.736 0.254 . . . . 71.129999999999995 113.736 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 37' ' ' GLU . 20.5 pt -137.61 154.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.838 0.855 . . . . 73.099999999999994 112.051 -175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.76 -24.93 61.02 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.438 0.695 . . . . 73.430000000000007 111.69 174.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HB2' HD11 ' A' ' 35' ' ' ILE . 28.4 mm-40 -55.22 -54.61 41.17 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.177 0.591 . . . . 74.510000000000005 111.803 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -75.27 -30.6 60.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.417 0.687 . . . . 72.450000000000003 112.103 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.22 -49.87 75.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.058 0.543 . . . . 65.310000000000002 111.503 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.32 -36.51 80.35 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.705 0.802 . . . . 74.430000000000007 111.448 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -64.16 -55.52 21.23 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 115.202 -0.908 . . . . 61.240000000000002 111.628 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 HD11 HD12 ' A' ' 72' ' ' ILE . 67.8 mt -74.98 -36.75 62.02 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.183 0.808 . . . . 72.319999999999993 113.183 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 m -68.09 -40.38 82.67 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.774 0.43 . . . . 70.310000000000002 111.425 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.08 88.63 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 116.408 -0.36 . . . . 75.239999999999995 112.557 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.76 -33.69 74.52 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.112 0.965 . . . . 74.430000000000007 110.585 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.665 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.81 -41.58 64.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.457 0.703 . . . . 74.409999999999997 111.884 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.45 58.73 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.689 -0.687 . . . . 75.409999999999997 112.555 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.26 -57.73 2.42 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.711 0.634 . . . . 75.209999999999994 112.711 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -82.76 -40.64 20.21 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.369 1.248 . . . . 75.420000000000002 114.369 -167.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.7 mp -57.29 -22.18 39.94 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 113.574 0.953 . . . . 73.409999999999997 113.574 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.61 -40.89 98.38 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.979 0.912 . . . . 71.430000000000007 111.106 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -105.11 -10.4 17.17 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 124.137 0.975 . . . . 74.140000000000001 112.748 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.635 ' SD ' HD22 ' A' ' 58' ' ' LEU . 51.0 ttm -74.73 143.08 44.28 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.336 1.054 . . . . 74.329999999999998 112.648 -172.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.91 158.61 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.41 0.684 . . . . 74.109999999999999 112.333 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.75 -49.69 57.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.064 1.346 . . . . 73.109999999999999 112.572 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.94 -41.71 99.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.851 -1.068 . . . . 61.240000000000002 112.384 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.481 0.712 . . . . 72.25 111.628 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.635 HD22 ' SD ' ' A' ' 53' ' ' MET . 82.1 mt -62.15 -37.55 85.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.488 0.715 . . . . 74.239999999999995 111.346 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' HG3' ' HZ3' ' A' ' 22' ' ' LYS . 43.8 mt-10 -74.26 -27.98 61.0 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.843 0.457 . . . . 71.239999999999995 111.787 174.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.88 -39.47 83.69 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 116.28 -0.418 . . . . 72.329999999999998 110.216 171.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.41 -35.25 79.83 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.345 0.658 . . . . 74.540000000000006 110.84 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' A' ' 65' ' ' LEU . 15.2 t70 -59.45 -43.06 93.24 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.076 0.551 . . . . 71.319999999999993 109.999 173.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -59.86 -38.74 83.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.473 0.709 . . . . 64.120000000000005 111.599 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.01 -33.36 75.64 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.501 0.72 . . . . 73.430000000000007 111.063 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 29' ' ' GLN . 41.8 mt -73.8 -21.11 60.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.826 0.85 . . . . 73.019999999999996 111.697 174.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.21 -1.02 57.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.314 0.646 . . . . 73.340000000000003 111.819 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.14 158.94 17.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.121 0.569 . . . . 72.109999999999999 111.358 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.39 133.61 42.46 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.553 0.741 . . . . 74.430000000000007 110.224 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.4 p30 -46.25 -52.56 12.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.408 1.262 . . . . 63.439999999999998 114.408 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -52.05 -46.84 65.23 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.242 0.46 . . . . 73.319999999999993 112.242 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.484 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 9.4 m-20 -56.78 -54.92 40.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.17 0.588 . . . . 75.099999999999994 111.214 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 HD12 HD11 ' A' ' 42' ' ' LEU . 60.7 mt -51.44 -44.63 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 124.458 1.103 . . . . 70.340000000000003 112.065 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.16 -44.07 66.26 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.56 -0.746 . . . . 71.209999999999994 111.602 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -75.7 -20.62 58.25 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.949 0.722 . . . . 74.540000000000006 112.949 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.689 ' HB3' HD11 ' A' ' 95' ' ' LEU . 44.1 m0 -71.84 -46.79 56.84 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.021 0.439 . . . . 75.230000000000004 110.147 170.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 102' ' ' SER . . . -61.72 -49.59 75.84 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.018 -0.992 . . . . 54.020000000000003 111.674 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.7 p -76.09 1.95 14.21 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.617 0.767 . . . . 75.439999999999998 112.56 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 64.99 25.69 12.69 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.671 1.188 . . . . 74.040000000000006 112.298 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.51 -72.75 0.14 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.028 0.931 . . . . 74.310000000000002 110.525 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 63.88 1.55 1.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.8 1.24 . . . . 73.120000000000005 113.938 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -79.17 -59.09 2.91 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.909 0.883 . . . . 74.200000000000003 110.65 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 t -87.38 -33.14 19.23 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 115.323 -0.853 . . . . 70.299999999999997 111.826 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.6 m -122.5 93.31 48.56 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.438 0.695 . . . . 62.219999999999999 110.237 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.23 162.47 41.68 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.19 2.593 . . . . 70.349999999999994 113.22 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 tp -92.32 123.31 62.72 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.017 0.527 . . . . 74.200000000000003 111.976 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.672 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 6.8 Cg_exo -75.65 159.4 39.04 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.896 2.397 . . . . 72.430000000000007 112.839 170.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -28.24 69.57 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.266 1.026 . . . . 71.409999999999997 112.723 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.672 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.8 ptmt -56.7 -41.31 77.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.073 0.949 . . . . 73.200000000000003 112.438 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -96.34 -18.3 20.06 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.395 0.517 . . . . 75.310000000000002 112.395 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.7 59.71 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.832 0.853 . . . . 74.340000000000003 113.137 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -111.71 5.75 19.4 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.932 0.893 . . . . 71.150000000000006 112.473 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.3 t -81.77 129.13 34.63 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.452 0.701 . . . . 73.549999999999997 111.34 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 47.1 mtpt -69.67 -37.54 76.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.775 0.43 . . . . 73.239999999999995 111.191 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 tp -49.83 -45.77 50.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.078 0.951 . . . . 72.400000000000006 111.53 177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 75' ' ' TRP . 21.6 tp -59.59 -46.17 89.73 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.807 -1.088 . . . . 71.420000000000002 111.767 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.0 -29.0 65.97 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.64 0.776 . . . . 75.400000000000006 111.889 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 15.8 mm-40 -72.5 -34.62 67.76 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.561 0.744 . . . . 71.329999999999998 110.679 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.97 -36.97 78.49 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.109 0.964 . . . . 75.349999999999994 111.189 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.65 -35.08 79.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.735 0.814 . . . . 74.239999999999995 111.699 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -62.38 -55.74 25.04 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.847 -0.615 . . . . 72.329999999999998 109.757 168.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.18 -35.97 74.51 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.912 0.708 . . . . 74.439999999999998 112.912 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.449 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 85.1 p -55.93 -37.94 69.63 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.229 0.612 . . . . 70.329999999999998 112.562 175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.67 -36.51 28.7 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.289 0.636 . . . . 72.540000000000006 110.991 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -94.46 25.82 3.72 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.517 0.727 . . . . 72.299999999999997 112.387 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -57.79 -46.94 83.9 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.782 0.833 . . . . 72.439999999999998 110.877 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.47 23.33 12.03 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.961 0.904 . . . . 72.129999999999995 112.1 -176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -110.8 82.51 1.6 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 106.893 -1.521 . . . . 73.450000000000003 106.893 171.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -106.74 149.27 27.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.886 0.875 . . . . 74.25 111.577 -167.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.479 1.008 0 C-N-CA 123.845 0.858 . . . . 74.129999999999995 110.32 -176.152 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 110.741 -0.096 . . . . 63.420000000000002 110.741 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.76 -42.54 3.16 Favored Glycine 0 N--CA 1.481 1.686 0 N-CA-C 114.883 0.713 . . . . 70.239999999999995 114.883 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -65.73 108.55 2.14 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.394 0.677 . . . . 73.25 111.08 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -120.37 168.89 10.82 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.116 0.566 . . . . 75.219999999999999 111.799 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -98.2 166.5 11.38 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.888 0.875 . . . . 72.140000000000001 111.4 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -71.4 145.92 49.04 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.566 0.747 . . . . 72.340000000000003 111.989 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -133.06 -55.75 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.193 0.597 . . . . 75.230000000000004 111.8 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -74.34 102.51 4.41 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.568 0.699 . . . . 75.120000000000005 112.268 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -87.86 86.66 7.18 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.339 0.59 . . . . 73.439999999999998 111.522 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -135.16 149.87 50.05 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.373 0.669 . . . . 74.430000000000007 111.165 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.4 mmt -88.25 111.8 22.07 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.784 0.833 . . . . 75.439999999999998 111.522 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.3 mt -97.52 105.58 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.003 0.521 . . . . 75.239999999999995 109.772 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -83.07 104.2 13.09 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.039 0.536 . . . . 72.540000000000006 110.853 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -141.42 138.51 32.99 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.031 0.933 . . . . 71.319999999999993 110.691 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -75.42 123.52 25.55 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.182 0.593 . . . . 75.120000000000005 110.373 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -82.39 71.39 9.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.292 0.568 . . . . 75.219999999999999 110.914 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -145.83 77.44 12.23 Favored Pre-proline 0 CA--C 1.558 1.251 0 C-N-CA 123.539 0.735 . . . . 75.319999999999993 111.163 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.51 167.19 17.52 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.17 1.913 . . . . 75.140000000000001 111.964 158.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HG3' ' A' ' 55' ' ' GLU . 4.0 mm? -66.26 -27.07 67.66 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.941 0.496 . . . . 73.099999999999994 111.385 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.51 -44.13 76.34 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.814 -0.63 . . . . 75.129999999999995 111.096 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -75.5 -47.35 27.42 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 122.937 0.495 . . . . 72.140000000000001 112.264 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -69.18 -47.42 64.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.624 0.602 . . . . 74.400000000000006 112.624 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -54.61 -51.13 66.32 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 117.814 0.279 . . . . 73.030000000000001 111.575 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.66 78.69 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.96 0.504 . . . . 74.420000000000002 111.966 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -65.08 -41.35 95.12 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.651 0.781 . . . . 72.010000000000005 111.911 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.96 -40.39 72.0 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.788 0.435 . . . . 75.019999999999996 111.976 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' A' ' 46' ' ' ALA . 65.2 mt -59.63 -32.83 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.703 0.763 . . . . 73.120000000000005 110.927 173.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.98 -41.84 58.74 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.159 1.384 . . . . 71.420000000000002 112.475 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.56 -19.13 58.22 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 123.503 0.721 . . . . 74.409999999999997 111.847 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.661 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 92.4 p -81.77 -37.66 26.83 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.609 0.719 . . . . 54.049999999999997 110.634 173.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.27 -16.67 58.88 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.006 -1.452 . . . . 74.439999999999998 110.704 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -83.54 113.49 20.84 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.142 -1.059 . . . . 71.319999999999993 108.142 161.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.08 171.02 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.792 0.437 . . . . 74.510000000000005 110.397 -166.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.49 -83.16 0.55 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 121.546 -0.359 . . . . 73.230000000000004 112.493 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 ' HB2' ' A' ' 37' ' ' GLU . 44.3 pt -78.08 155.63 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 N-CA-C 112.434 0.531 . . . . 74.409999999999997 112.434 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.34 -24.22 60.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.109 0.964 . . . . 72.0 112.345 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' A' ' 35' ' ' ILE . 6.0 mm-40 -62.36 -51.95 65.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.999 0.519 . . . . 73.340000000000003 111.981 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.429 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 7.4 m -74.69 -29.2 61.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.881 0.472 . . . . 74.230000000000004 111.681 176.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.46 -59.79 4.22 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.762 0.825 . . . . 73.540000000000006 111.208 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.55 -34.21 77.72 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.669 0.788 . . . . 63.439999999999998 111.648 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.05 -57.96 10.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.768 0.827 . . . . 75.019999999999996 111.108 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 62.3 mt -74.33 -28.7 61.27 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.971 0.73 . . . . 71.319999999999993 112.971 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -64.78 -52.21 58.1 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 122.825 0.45 . . . . 74.310000000000002 111.376 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.71 -38.99 95.05 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 115.971 -0.559 . . . . 75.409999999999997 112.97 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.21 -41.87 89.63 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.016 0.927 . . . . 73.340000000000003 111.003 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -68.7 -47.81 65.45 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.271 -0.877 . . . . 72.140000000000001 112.406 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.91 68.7 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.196 0.598 . . . . 71.120000000000005 112.204 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -90.16 -55.24 3.69 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.652 0.781 . . . . 73.209999999999994 112.312 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.38 -45.79 21.55 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.563 0.745 . . . . 74.109999999999999 112.875 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -59.7 -25.71 65.01 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 113.042 0.756 . . . . 75.239999999999995 113.042 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -55.68 -32.09 62.96 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.284 1.034 . . . . 64.310000000000002 112.053 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -119.9 -9.11 9.73 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.0 0.92 . . . . 75.019999999999996 112.346 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.522 ' SD ' HD23 ' A' ' 58' ' ' LEU . 52.9 ttm -71.08 137.05 48.59 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.005 0.922 . . . . 64.329999999999998 112.318 -174.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.0 m120 -73.78 159.43 32.93 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.863 0.865 . . . . 74.409999999999997 112.756 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.616 ' HG3' HD12 ' A' ' 19' ' ' LEU . 2.0 mp0 -50.16 -41.8 49.82 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.689 1.596 . . . . 73.25 112.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.67 -48.75 71.05 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 114.965 -1.016 . . . . 74.219999999999999 111.033 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.3 -31.34 70.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.721 -1.127 . . . . 74.109999999999999 111.897 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.522 HD23 ' SD ' ' A' ' 53' ' ' MET . 96.4 mt -59.55 -36.0 75.31 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.864 0.866 . . . . 74.140000000000001 112.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.46 -29.76 62.74 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.616 0.767 . . . . 74.439999999999998 111.275 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -69.72 -40.0 76.52 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.324 0.65 . . . . 60.119999999999997 110.208 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.444 ' HD1' HD11 ' A' ' 94' ' ' LEU . 47.0 t80 -61.46 -40.83 95.92 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.459 0.704 . . . . 74.120000000000005 111.889 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.47 -40.86 72.17 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.63 0.772 . . . . 64.040000000000006 111.525 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.7 m -58.17 -38.85 77.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.315 1.046 . . . . 73.239999999999995 112.398 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.41 -30.41 69.31 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.639 0.776 . . . . 74.230000000000004 111.855 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 14.2 mt -75.01 -15.38 60.66 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.198 0.599 . . . . 73.319999999999993 112.093 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.45 4.82 52.91 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.639 0.776 . . . . 71.349999999999994 111.676 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.81 166.66 13.41 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.756 0.822 . . . . 70.349999999999994 111.445 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.77 134.77 37.0 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.594 0.358 . . . . 71.099999999999994 110.89 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -50.11 -54.14 22.6 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.656 1.182 . . . . 72.030000000000001 113.885 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -56.64 -39.14 73.16 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.608 0.595 . . . . 75.120000000000005 112.608 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -66.73 -52.03 49.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.931 0.493 . . . . 70.430000000000007 110.944 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.441 HG23 HD13 ' A' ' 42' ' ' LEU . 66.3 mt -51.8 -41.93 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 124.286 1.035 . . . . 75.329999999999998 110.897 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.429 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 75.2 t80 -63.16 -47.73 81.44 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.991 -1.004 . . . . 75.25 111.734 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.486 ' HB2' ' HB2' ' A' ' 83' ' ' SER . 21.8 m-85 -76.87 -12.35 59.95 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.213 0.82 . . . . 74.430000000000007 113.213 -176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.449 ' HB3' HD11 ' A' ' 95' ' ' LEU . 28.6 m0 -88.1 -34.66 17.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.652 0.381 . . . . 74.120000000000005 110.886 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -53.54 19.51 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.15 0.58 . . . . 63.119999999999997 110.962 173.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 p -79.89 170.97 15.74 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.254 -0.885 . . . . 62.100000000000001 109.623 170.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -96.14 39.68 1.14 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 75.430000000000007 112.186 -169.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -110.68 51.22 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 65.439999999999998 110.821 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -67.45 -13.26 61.88 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.89 0.876 . . . . 71.409999999999997 112.369 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.594 ' HZ1' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -56.45 -32.71 65.2 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.349 1.06 . . . . 74.340000000000003 112.912 173.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -92.44 -56.58 2.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.921 0.391 . . . . 72.310000000000002 110.243 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 57.9 m -105.58 100.92 29.26 Favored Pre-proline 0 N--CA 1.483 1.224 0 C-N-CA 123.163 0.585 . . . . 61.109999999999999 110.726 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.67 144.23 71.21 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.371 2.047 . . . . 62.310000000000002 111.664 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.3 tp -78.49 118.65 73.6 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 122.595 0.358 . . . . 75.530000000000001 110.647 -176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.61 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.5 Cg_exo -75.97 166.83 27.29 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.201 2.6 . . . . 74.200000000000003 112.94 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.61 -36.99 72.52 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.146 0.979 . . . . 74.040000000000006 112.249 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.2 ptmt -62.06 -25.36 67.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.013 0.925 . . . . 74.299999999999997 113.374 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -112.82 -9.75 13.64 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.448 0.536 . . . . 61.119999999999997 112.448 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.59 72.32 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 112.851 0.685 . . . . 71.209999999999994 112.851 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -114.27 7.33 16.44 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.29 0.636 . . . . 73.530000000000001 112.006 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -84.05 130.35 34.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.289 0.566 . . . . 55.119999999999997 112.491 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -65.56 -38.69 90.28 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.097 0.959 . . . . 74.120000000000005 111.223 174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD11 ' HD1' ' A' ' 61' ' ' TYR . 52.5 tp -51.98 -41.17 61.94 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.352 1.061 . . . . 75.219999999999999 113.149 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 75' ' ' TRP . 52.2 tp -61.11 -43.28 99.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.302 0.641 . . . . 74.430000000000007 111.487 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -68.16 -34.02 75.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.803 0.841 . . . . 73.510000000000005 110.737 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.03 -40.94 99.22 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.953 0.901 . . . . 74.209999999999994 111.091 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.53 -33.05 64.54 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.546 0.738 . . . . 73.019999999999996 111.698 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -72.25 -42.15 65.97 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.387 0.675 . . . . 73.109999999999999 112.579 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.21 -32.49 72.75 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 117.844 0.293 . . . . 71.510000000000005 110.571 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -65.95 -46.64 77.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.248 0.619 . . . . 73.25 110.908 172.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -56.39 -23.84 40.73 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.41 0.684 . . . . 64.329999999999998 111.603 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -79.45 -69.81 0.55 Allowed 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 115.798 -0.637 . . . . 74.349999999999994 110.776 167.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.37 21.79 2.75 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.25 1.02 . . . . 75.150000000000006 113.73 -166.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -62.61 -39.21 93.04 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.346 0.869 . . . . 75.310000000000002 113.346 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 107' ' ' LYS . 6.3 mm-40 -127.41 -81.11 0.6 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.513 0.725 . . . . 75.349999999999994 110.052 -177.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -162.92 36.66 0.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.071 0.949 . . . . 75.420000000000002 110.726 -179.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.37 -168.52 2.48 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.728 -0.669 . . . . 74.530000000000001 112.045 -167.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.94 0.876 . . . . 73.510000000000005 111.205 173.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.674 0.273 . . . . 74.519999999999996 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.25 -26.1 31.81 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.003 0.761 . . . . 72.239999999999995 115.003 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -79.56 80.52 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.076 0.938 . . . . 74.040000000000006 111.264 -175.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -92.93 -41.01 10.26 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.222 0.609 . . . . 74.040000000000006 110.79 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -151.03 50.41 0.85 Allowed 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.666 0.746 . . . . 75.430000000000007 110.772 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -136.47 122.68 20.46 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.685 0.794 . . . . 75.549999999999997 110.854 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -130.76 -174.23 3.31 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 73.329999999999998 109.409 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -66.41 157.71 31.22 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 122.388 0.275 . . . . 75.310000000000002 111.11 173.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -61.58 139.49 58.26 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.965 0.506 . . . . 74.25 110.836 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.0 m80 65.13 95.93 0.05 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 125.202 1.401 . . . . 74.209999999999994 111.038 -169.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ttt -67.58 147.5 52.67 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.512 0.725 . . . . 74.439999999999998 111.253 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.01 95.55 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 122.987 0.515 . . . . 74.129999999999995 110.935 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 8.8 mtpm? -118.86 122.67 42.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.947 0.899 . . . . 74.530000000000001 109.6 174.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -74.86 -37.82 62.12 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.768 0.827 . . . . 75.299999999999997 112.114 -172.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -121.92 174.48 6.86 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 74.349999999999994 111.041 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -72.66 -11.35 60.6 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.027 0.931 . . . . 75.109999999999999 111.726 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.14 113.11 8.32 Favored Pre-proline 0 N--CA 1.485 1.309 0 C-N-CA 124.694 1.198 . . . . 61.210000000000001 112.644 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -73.61 163.69 36.79 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.577 2.185 . . . . 71.310000000000002 112.14 168.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -26.95 69.08 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.575 0.75 . . . . 75.329999999999998 111.354 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.68 -40.06 95.92 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.54 0.736 . . . . 71.329999999999998 112.489 171.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -71.15 -38.48 72.22 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.146 0.425 . . . . 64.430000000000007 112.146 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 2.4 ttmp? -60.97 -54.06 49.6 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.74 0.305 . . . . 71.420000000000002 110.873 173.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 25.9 ttp180 -55.72 -50.22 70.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.904 0.882 . . . . 72.329999999999998 111.874 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.98 95.75 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.034 0.533 . . . . 62.509999999999998 111.729 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 35.3 ttm180 -62.02 -45.33 94.08 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.924 0.89 . . . . 75.439999999999998 112.139 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' A' ' 50' ' ' LEU . 86.5 mt -70.91 -42.59 69.72 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 122.677 0.391 . . . . 73.030000000000001 111.774 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 46' ' ' ALA . 64.0 mt -61.23 -34.5 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 C-N-CA 123.097 0.559 . . . . 74.549999999999997 111.001 171.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 88.6 t80 -64.87 -46.81 80.27 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.274 0.63 . . . . 61.119999999999997 110.937 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.559 ' HB2' HD11 ' A' ' 65' ' ' LEU . 44.2 mt-30 -78.81 -10.35 59.76 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.814 0.672 . . . . 64.219999999999999 112.814 -177.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB3' ' HH ' ' A' ' 61' ' ' TYR . 89.2 p -85.87 -28.53 24.33 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.232 0.539 . . . . 71.420000000000002 109.96 166.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -80.93 -13.04 59.26 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 74.310000000000002 110.942 173.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -103.45 115.11 29.92 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 107.654 -1.239 . . . . 74.329999999999998 107.654 166.338 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.58 151.4 31.5 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 122.14 -0.35 . . . . 74.400000000000006 111.481 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -44.42 97.33 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 123.408 0.442 . . . . 54.210000000000001 113.877 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 pt -118.34 151.75 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 74.409999999999997 111.394 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.05 -27.6 63.77 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 124.181 0.992 . . . . 74.340000000000003 111.825 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 -52.32 64.12 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.062 0.545 . . . . 71.450000000000003 111.849 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.427 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 16.8 m -73.11 -28.01 62.02 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.232 0.613 . . . . 74.140000000000001 111.447 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.41 -58.91 5.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.156 0.983 . . . . 75.329999999999998 111.322 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.1 -33.34 75.27 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.233 0.613 . . . . 74.099999999999994 111.943 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.39 -55.43 34.91 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.933 0.893 . . . . 74.019999999999996 111.592 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 76.3 mt -74.23 -35.19 63.86 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.427 -0.806 . . . . 75.010000000000005 112.443 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -68.7 -41.98 78.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.218 0.451 . . . . 65.319999999999993 112.218 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.34 93.95 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 112.124 -0.39 . . . . 74.310000000000002 112.124 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -59.29 -41.11 88.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.105 0.962 . . . . 73.530000000000001 111.021 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.49 -44.5 67.56 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.623 0.769 . . . . 74.540000000000006 112.687 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.55 69.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.258 0.623 . . . . 74.310000000000002 112.412 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -90.38 -55.07 3.74 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.785 0.834 . . . . 72.219999999999999 112.574 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -78.77 -40.73 32.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.17 0.804 . . . . 75.239999999999995 113.17 -170.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.71 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.8 mp -62.58 -24.49 67.58 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 112.486 0.551 . . . . 75.109999999999999 112.486 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.89 -35.84 73.69 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.656 0.783 . . . . 75.409999999999997 111.76 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -116.62 -11.45 11.04 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.729 1.011 . . . . 72.25 113.729 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.1 mtm -77.89 140.59 39.33 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.533 0.606 . . . . 75.430000000000007 111.828 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.66 160.91 31.47 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.175 0.99 . . . . 71.439999999999998 109.09 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 39.0 tt0 -50.55 -42.05 54.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.049 0.94 . . . . 71.400000000000006 112.17 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.34 -42.44 73.85 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.241 1.016 . . . . 75.540000000000006 113.084 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -74.91 -34.45 62.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.561 0.744 . . . . 71.409999999999997 110.871 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.71 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -63.45 -31.09 72.15 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.61 -0.723 . . . . 75.239999999999995 112.509 170.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -67.66 -37.96 83.11 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.85 0.46 . . . . 74.439999999999998 110.541 174.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 94' ' ' LEU . 5.5 tp10 -66.0 -37.1 85.07 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.357 -0.838 . . . . 73.019999999999996 111.049 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.479 ' HH ' ' HB3' ' A' ' 30' ' ' SER . 54.3 t80 -65.22 -32.59 74.34 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.479 0.312 . . . . 72.140000000000001 111.771 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.87 -38.39 82.06 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.238 0.615 . . . . 61.399999999999999 110.771 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -59.89 -37.81 80.44 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.815 0.846 . . . . 65.310000000000002 111.696 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.84 -34.91 77.64 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.525 0.73 . . . . 72.129999999999995 111.17 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 29' ' ' GLN . 77.1 mt -73.3 -21.74 60.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.293 0.637 . . . . 74.329999999999998 111.625 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.55 -7.41 58.47 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.554 0.742 . . . . 72.239999999999995 112.025 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -88.96 177.28 6.71 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.431 0.692 . . . . 72.340000000000003 110.895 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 mt -92.59 137.87 31.99 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.493 0.717 . . . . 75.140000000000001 111.122 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -48.25 -55.05 11.53 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.998 1.11 . . . . 64.099999999999994 113.998 -176.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.68 -43.57 93.95 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 112.345 0.498 . . . . 72.409999999999997 112.345 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.131 0.572 . . . . 71.219999999999999 111.445 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.1 -43.06 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 124.205 1.002 . . . . 74.299999999999997 111.219 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.427 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 74.8 t80 -59.89 -45.81 91.32 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.224 1.01 . . . . 75.310000000000002 111.394 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.2 -23.15 51.48 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.84 0.681 . . . . 75.510000000000005 112.84 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.495 ' HB3' HD13 ' A' ' 95' ' ' LEU . 35.0 m0 -77.33 -40.4 44.32 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.878 0.371 . . . . 75.540000000000006 110.841 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.51 65.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.657 0.783 . . . . 73.140000000000001 111.644 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.4 p -74.81 -2.31 26.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.477 0.711 . . . . 72.010000000000005 112.679 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttm 64.24 30.63 13.46 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.869 1.268 . . . . 75.209999999999994 111.943 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.37 -71.73 0.19 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.529 0.732 . . . . 41.310000000000002 110.589 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.14 -12.96 0.22 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.983 1.475 . . . . 71.530000000000001 114.983 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -59.94 -54.66 43.49 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.786 1.234 . . . . 73.129999999999995 111.377 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -82.98 -38.65 22.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.383 -0.826 . . . . 73.239999999999995 110.877 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 m -128.79 91.62 42.57 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 114.695 -1.139 . . . . 51.539999999999999 110.246 -174.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -62.31 162.56 23.2 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.276 2.651 . . . . 74.140000000000001 113.619 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -92.28 125.53 56.05 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 123.495 0.718 . . . . 75.540000000000006 112.379 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.41 152.09 79.35 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 123.404 2.736 . . . . 75.329999999999998 112.891 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.52 -38.86 88.92 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.77 0.828 . . . . 61.439999999999998 112.774 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -70.1 -9.13 54.5 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 112.871 0.693 . . . . 72.010000000000005 112.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HB3' HD21 ' A' ' 95' ' ' LEU . 11.7 m95 -100.87 -33.38 10.24 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.079 0.4 . . . . 75.200000000000003 112.079 170.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.71 66.47 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.287 0.635 . . . . 73.409999999999997 112.585 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.56 18.27 22.15 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.506 0.722 . . . . 73.299999999999997 111.915 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.4 t -93.05 133.77 35.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.392 0.677 . . . . 70.030000000000001 110.858 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -69.69 -36.88 76.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.648 0.379 . . . . 74.200000000000003 110.838 174.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.493 HD22 ' HG3' ' A' ' 60' ' ' GLU . 39.8 tp -54.72 -45.11 74.02 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.719 0.808 . . . . 74.439999999999998 111.855 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 89' ' ' TRP . 26.3 tp -60.42 -43.92 96.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.847 -0.615 . . . . 75.510000000000005 111.261 176.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.41 -33.51 76.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.138 0.575 . . . . 73.409999999999997 111.69 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.08 -34.37 68.63 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.552 0.741 . . . . 72.439999999999998 110.917 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.05 -34.11 72.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.625 0.77 . . . . 74.450000000000003 110.603 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -69.4 -39.99 77.6 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.962 0.905 . . . . 72.5 111.161 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -57.74 -52.4 65.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.443 0.697 . . . . 73.219999999999999 111.013 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -64.56 -47.0 80.38 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.97 -0.559 . . . . 73.420000000000002 111.754 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -59.73 -38.52 81.94 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.857 0.688 . . . . 74.230000000000004 112.857 -173.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.42 -32.29 37.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.328 0.251 . . . . 75.319999999999993 111.492 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -100.66 29.9 4.25 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.807 0.843 . . . . 74.239999999999995 111.95 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -69.65 87.68 0.5 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.22 0.533 . . . . 75.219999999999999 110.258 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.03 28.88 8.16 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.629 0.772 . . . . 73.329999999999998 110.805 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 tttp 59.18 19.57 7.58 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 126.015 1.726 . . . . 73.25 114.278 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.89 89.58 2.92 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 121.935 0.874 . . . . 75.019999999999996 110.118 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 123.318 0.647 . . . . 74.109999999999999 111.308 -177.48 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG3' ' H ' ' A' ' 2' ' ' GLY . 4.7 tpt . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 109.649 -0.5 . . . . 72.129999999999995 109.649 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.474 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -56.2 -39.81 82.36 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 114.124 0.41 . . . . 74.239999999999995 114.124 178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -120.89 145.79 47.28 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.444 0.697 . . . . 65.219999999999999 111.071 174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -75.83 118.84 19.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.486 0.715 . . . . 71.209999999999994 109.305 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.61 124.95 29.98 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.947 0.499 . . . . 62.439999999999998 111.648 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -150.46 123.41 8.74 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.741 0.817 . . . . 64.209999999999994 110.831 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -90.01 133.09 35.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.955 0.502 . . . . 74.420000000000002 110.733 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -90.77 -49.26 6.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.241 0.617 . . . . 74.510000000000005 110.286 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -76.13 143.21 41.36 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.09 0.556 . . . . 74.319999999999993 110.696 174.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -160.94 20.42 0.13 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.225 0.61 . . . . 74.109999999999999 112.031 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.4 mpt? -74.22 114.09 12.17 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.362 0.665 . . . . 74.129999999999995 110.992 -175.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -70.46 134.34 30.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.088 0.955 . . . . 74.209999999999994 110.952 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -127.62 58.06 1.5 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.922 0.889 . . . . 74.409999999999997 108.603 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 48.69 61.67 2.96 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.171 0.989 . . . . 71.430000000000007 110.965 -168.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -94.39 125.88 39.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.423 -0.808 . . . . 73.340000000000003 110.684 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.56 118.88 7.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.876 0.47 . . . . 73.239999999999995 111.121 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -105.59 89.03 3.08 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 124.269 1.027 . . . . 75.319999999999993 109.089 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 67.0 Cg_endo -70.02 174.02 10.35 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.479 2.119 . . . . 75.109999999999999 113.635 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -27.58 66.43 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.215 -0.902 . . . . 75.230000000000004 110.208 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -65.52 -37.83 87.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.237 0.615 . . . . 74.540000000000006 111.668 171.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 29.1 mttp -71.79 -29.49 64.52 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 119.059 -0.496 . . . . 75.129999999999995 112.126 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.6 -47.07 76.93 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 118.17 0.441 . . . . 73.540000000000006 110.039 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.61 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 14.1 ttp180 -56.1 -48.57 75.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.918 0.887 . . . . 74.120000000000005 111.156 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.341 0.656 . . . . 75.319999999999993 112.02 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -66.66 -38.13 86.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.906 0.882 . . . . 72.239999999999995 111.911 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 65' ' ' LEU . 95.6 mt -72.72 -37.87 67.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.875 0.47 . . . . 73.120000000000005 111.26 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.09 -31.9 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 122.837 0.455 . . . . 74.329999999999998 110.772 170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -69.98 -46.51 65.05 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.497 0.719 . . . . 75.510000000000005 111.528 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' HD13 ' A' ' 65' ' ' LEU . 28.7 mt-30 -66.49 -31.28 71.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.431 0.692 . . . . 72.109999999999999 111.648 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.563 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 82.7 p -72.27 -44.64 62.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.329 0.652 . . . . 72.530000000000001 111.724 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -78.61 -0.9 31.68 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.505 -0.77 . . . . 75.129999999999995 111.994 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -110.66 110.04 20.55 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.421 -0.955 . . . . 75.019999999999996 108.421 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -149.65 -157.84 0.86 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.346 1.058 . . . . 75.239999999999995 109.991 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.18 2.88 10.6 Favored Glycine 0 N--CA 1.479 1.54 0 N-CA-C 114.193 0.437 . . . . 54.229999999999997 114.193 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 pt -146.71 120.66 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.032 0.933 . . . . 74.209999999999994 110.058 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.4 tp -55.22 -27.8 48.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.232 0.827 . . . . 75.430000000000007 113.232 -171.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.31 -52.1 63.32 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.78 0.432 . . . . 71.010000000000005 111.672 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 m -74.21 -31.44 62.63 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.78 0.432 . . . . 74.140000000000001 111.799 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.95 -54.79 38.21 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.875 0.47 . . . . 72.450000000000003 111.04 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.17 -33.61 70.17 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.17 0.588 . . . . 72.340000000000003 112.225 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.1 -58.46 8.54 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 123.461 0.704 . . . . 75.319999999999993 111.024 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 85.4 mt -74.31 -28.95 61.4 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.259 0.624 . . . . 74.239999999999995 112.601 -177.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 t -64.83 -53.15 51.36 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.394 0.543 . . . . 61.439999999999998 111.164 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.95 98.33 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.45 -0.795 . . . . 74.200000000000003 112.591 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.95 -44.64 96.33 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.574 0.75 . . . . 75.319999999999993 111.183 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -70.0 -47.23 63.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.777 0.658 . . . . 72.030000000000001 112.777 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.1 68.46 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.951 0.501 . . . . 73.430000000000007 112.192 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -90.6 -54.86 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.408 1.083 . . . . 71.140000000000001 111.541 -177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -81.3 -42.82 20.04 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.237 1.015 . . . . 74.540000000000006 113.732 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.694 ' HG ' HD21 ' A' ' 58' ' ' LEU . 10.4 mp -59.09 -26.83 65.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.65 1.114 . . . . 75.349999999999994 112.1 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.27 -31.08 69.35 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.436 1.094 . . . . 72.450000000000003 111.987 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -27.51 16.5 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.714 0.635 . . . . 74.430000000000007 112.714 171.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.442 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 66.1 mtm -79.84 144.96 33.03 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.078 0.77 . . . . 74.030000000000001 113.078 -170.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 30.3 p30 -90.06 179.7 5.88 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.683 0.793 . . . . 72.120000000000005 111.405 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.42 -45.88 46.87 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.495 1.118 . . . . 74.319999999999993 112.53 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.12 -37.26 85.29 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.462 1.105 . . . . 62.420000000000002 112.05 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 39.3 mt-10 -75.8 -39.26 57.2 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.241 0.617 . . . . 61.229999999999997 111.811 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD21 ' HG ' ' A' ' 50' ' ' LEU . 14.0 mt -59.6 -39.72 85.13 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 113.148 0.796 . . . . 72.530000000000001 113.148 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.28 -28.46 59.78 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.112 -0.368 . . . . 72.030000000000001 111.477 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -65.09 -38.61 91.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 109.428 -0.582 . . . . 71.329999999999998 109.428 169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.71 -35.19 74.82 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.491 0.716 . . . . 74.25 112.26 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.93 -39.9 82.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.179 0.592 . . . . 74.5 110.437 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -61.86 -36.88 82.54 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.609 -0.723 . . . . 71.049999999999997 111.716 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 98' ' ' LEU . 39.6 tp -70.64 -31.55 68.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.276 0.63 . . . . 75.319999999999993 111.178 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 26' ' ' LEU . 86.7 mt -73.23 -25.66 60.82 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.598 0.359 . . . . 61.030000000000001 111.495 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -78.26 -4.1 46.17 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.263 0.625 . . . . 65.340000000000003 111.61 171.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -87.31 173.27 9.27 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.596 0.712 . . . . 73.319999999999993 112.346 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.0 mt -82.91 135.81 34.79 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.645 -1.161 . . . . 74.540000000000006 112.315 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.84 -64.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 125.742 1.617 . . . . 74.340000000000003 113.858 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -64.61 -39.61 94.02 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 112.854 0.687 . . . . 75.230000000000004 112.854 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.25 -43.04 99.74 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.964 0.505 . . . . 73.439999999999998 111.303 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.29 -44.83 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 C-N-CA 123.766 0.826 . . . . 71.530000000000001 111.411 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -65.07 -40.05 94.14 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.626 -0.715 . . . . 74.099999999999994 111.547 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.63 -25.85 59.5 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.525 0.565 . . . . 73.120000000000005 112.525 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' HB3' HD12 ' A' ' 95' ' ' LEU . 19.7 m0 -80.32 -34.68 36.52 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.576 0.35 . . . . 75.109999999999999 110.796 174.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.437 0.695 . . . . 74.109999999999999 111.155 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.2 p -90.54 -172.23 3.34 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.139 -0.937 . . . . 75.010000000000005 109.838 170.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -102.22 31.75 3.83 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.611 -0.68 . . . . 74.299999999999997 111.299 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.43 41.16 1.04 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.077 0.951 . . . . 75.239999999999995 111.287 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.49 -17.04 63.57 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.793 0.837 . . . . 74.549999999999997 111.844 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.75 -47.41 86.45 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.668 0.787 . . . . 74.140000000000001 110.744 167.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.45 -48.47 40.69 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.524 0.73 . . . . 55.240000000000002 111.31 -175.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -128.93 116.66 19.13 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 123.365 0.666 . . . . 75.25 110.129 174.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.6 145.55 58.43 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.481 2.121 . . . . 74.129999999999995 112.572 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.2 123.31 84.79 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 123.044 0.537 . . . . 72.439999999999998 111.717 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.11 149.23 76.51 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.001 2.467 . . . . 74.430000000000007 112.384 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.71 -33.32 73.82 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.917 0.887 . . . . 74.329999999999998 112.759 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' HZ2' ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -58.01 -29.46 65.31 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.769 0.828 . . . . 75.420000000000002 112.966 175.006 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.93 -24.57 14.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.995 0.518 . . . . 75.340000000000003 111.434 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.96 63.6 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.69 0.796 . . . . 75.140000000000001 112.631 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.16 7.17 15.28 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.853 0.861 . . . . 65.209999999999994 112.549 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 p -90.73 135.13 33.92 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.801 0.441 . . . . 70.319999999999993 111.367 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -70.17 -37.03 75.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 122.903 0.481 . . . . 74.129999999999995 111.203 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.15 -44.49 67.84 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.966 0.906 . . . . 65.040000000000006 112.402 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 75' ' ' TRP . 37.6 tp -55.54 -45.51 77.2 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.759 -0.655 . . . . 73.129999999999995 111.512 176.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -67.17 -34.05 76.71 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.867 -0.606 . . . . 75.430000000000007 111.114 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.27 -37.42 85.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.74 . . . . 71.540000000000006 111.329 173.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 64' ' ' LEU . 45.0 tp -67.5 -39.87 85.16 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.943 0.897 . . . . 74.099999999999994 110.699 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.54 -43.37 90.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.231 1.012 . . . . 73.349999999999994 111.652 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.48 -49.89 74.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.965 0.506 . . . . 72.219999999999999 110.53 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.71 -36.16 80.13 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.367 0.267 . . . . 70.310000000000002 111.531 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 t -56.18 -42.31 76.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.046 0.538 . . . . 74.310000000000002 112.079 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.96 -29.04 35.44 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.709 0.262 . . . . 74.019999999999996 111.709 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -85.97 12.54 9.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.642 0.608 . . . . 72.319999999999993 112.642 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -69.02 81.56 0.31 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.601 0.715 . . . . 73.439999999999998 110.41 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.11 -38.21 2.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.555 1.142 . . . . 74.120000000000005 110.312 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -92.49 90.15 7.05 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.444 1.098 . . . . 74.129999999999995 110.694 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -114.43 159.96 19.71 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.95 0.9 . . . . 64.510000000000005 111.301 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.4 mm . . . . . 0 N--CA 1.491 1.59 0 C-N-CA 123.614 0.766 . . . . 74.400000000000006 110.707 177.095 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.581 0.229 . . . . 72.430000000000007 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.62 -171.38 54.94 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.818 0.687 . . . . 72.530000000000001 114.818 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -78.61 123.22 26.88 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.936 0.494 . . . . 74.420000000000002 111.511 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -126.19 126.95 44.92 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.0 0.92 . . . . 73.450000000000003 109.086 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 62.52 -168.08 0.2 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.017 0.927 . . . . 71.140000000000001 111.598 -171.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -65.79 163.57 16.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.843 -0.536 . . . . 73.439999999999998 111.569 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -75.08 109.2 8.36 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.679 0.392 . . . . 75.310000000000002 110.704 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -147.16 -33.16 0.29 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.505 0.722 . . . . 70.209999999999994 110.566 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m 55.82 -158.22 0.23 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.179 0.991 . . . . 64.409999999999997 111.773 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -158.71 91.83 1.08 Allowed 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.579 0.704 . . . . 75.239999999999995 111.514 168.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.5 ttt -70.72 -25.65 63.04 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 122.027 0.917 . . . . 65.420000000000002 109.314 162.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 13' ' ' LYS . 63.3 mt -59.15 136.15 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-N 113.39 -1.732 . . . . 73.439999999999998 110.698 172.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 12' ' ' ILE . 92.3 mttt 65.04 113.32 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.068 1.747 . . . . 75.230000000000004 113.117 -177.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -114.75 -54.95 2.53 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.614 0.766 . . . . 75.129999999999995 109.703 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.53 ' HB ' ' HG2' ' A' ' 17' ' ' GLU . 75.2 p -135.6 -65.46 0.6 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.639 0.775 . . . . 74.439999999999998 110.731 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 t30 61.25 20.91 11.46 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.866 1.266 . . . . 62.539999999999999 111.551 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HG2' ' HB ' ' A' ' 15' ' ' THR . 13.6 pt-20 -142.1 163.47 39.74 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.366 1.066 . . . . 72.329999999999998 110.464 -172.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' HG3' ' A' ' 21' ' ' LYS . 14.4 Cg_endo -57.12 149.3 63.99 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.449 2.099 . . . . 74.349999999999994 113.736 173.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -28.94 67.05 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.695 1.198 . . . . 75.329999999999998 112.0 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -52.35 -49.32 64.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.979 0.912 . . . . 75.439999999999998 112.124 171.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' HD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 mttt -65.04 -44.76 88.02 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.989 0.516 . . . . 64.430000000000007 112.192 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -61.35 -50.43 72.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.827 0.451 . . . . 75.420000000000002 111.094 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -57.07 -48.36 78.76 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.698 0.799 . . . . 72.420000000000002 111.395 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.44 79.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.214 0.606 . . . . 74.239999999999995 111.638 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -67.61 -40.46 84.71 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.775 0.83 . . . . 75.030000000000001 112.33 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 58' ' ' LEU . 31.0 mt -72.73 -40.72 65.86 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 122.104 -0.373 . . . . 74.299999999999997 111.525 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 46' ' ' ALA . 82.0 mt -58.47 -39.45 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 123.919 0.887 . . . . 72.340000000000003 110.687 171.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -60.8 -55.5 32.34 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.127 0.971 . . . . 75.540000000000006 111.72 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.619 ' HB2' HD11 ' A' ' 65' ' ' LEU . 45.3 mt-30 -68.27 -24.04 64.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.747 0.819 . . . . 64.109999999999999 113.101 -174.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 93.7 p -73.02 -29.47 63.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.912 0.386 . . . . 74.150000000000006 111.061 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 67.9 mtp180 -85.13 -19.93 31.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.736 -0.666 . . . . 74.129999999999995 111.682 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -86.15 106.58 17.37 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.906 -1.146 . . . . 74.519999999999996 107.906 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -145.87 171.75 14.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.472 0.709 . . . . 74.430000000000007 110.254 -173.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.81 -47.33 56.12 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 115.668 -0.696 . . . . 75.319999999999993 112.408 169.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 37' ' ' GLU . 32.9 pt -109.27 139.17 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-O 121.502 0.668 . . . . 75.230000000000004 112.096 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -11.87 60.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.987 0.915 . . . . 74.430000000000007 112.072 173.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' HB2' HD11 ' A' ' 35' ' ' ILE . 18.0 mm-40 -57.66 -50.51 72.94 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.411 0.685 . . . . 75.200000000000003 110.677 172.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.6 m -72.66 -28.19 62.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.797 0.839 . . . . 72.230000000000004 111.857 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -48.69 69.41 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.886 0.474 . . . . 73.5 110.872 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -58.21 -34.1 70.03 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.349 0.66 . . . . 75.019999999999996 112.483 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -72.56 -59.41 2.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.367 0.667 . . . . 75.099999999999994 111.793 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.618 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 67.6 mt -74.98 -25.19 58.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.992 0.917 . . . . 71.329999999999998 113.397 -172.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 t -65.2 -52.19 56.32 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 122.956 0.502 . . . . 74.540000000000006 111.49 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.26 94.74 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.999 -0.546 . . . . 71.239999999999995 113.073 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.75 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.68 0.792 . . . . 73.329999999999998 111.501 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB2' HG12 ' A' ' 27' ' ' ILE . . . -72.17 -45.96 58.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.976 0.511 . . . . 64.230000000000004 112.369 -175.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.08 72.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.221 0.608 . . . . 74.340000000000003 112.106 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -87.19 -54.99 4.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.779 0.832 . . . . 75.040000000000006 112.285 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.81 -49.95 16.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.127 0.571 . . . . 72.120000000000005 112.172 -173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 53' ' ' MET . 9.2 mp -60.89 -23.96 65.61 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 113.072 0.767 . . . . 71.109999999999999 113.072 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -55.76 -33.46 64.33 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.453 0.701 . . . . 75.329999999999998 111.607 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -121.81 -1.51 9.42 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.096 0.958 . . . . 74.120000000000005 112.496 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.582 ' SD ' HD21 ' A' ' 58' ' ' LEU . 53.1 ttm -76.91 138.76 39.92 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.725 0.81 . . . . 72.129999999999995 112.486 -174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.52 165.94 13.5 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.188 0.995 . . . . 75.319999999999993 110.821 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 20.3 mt-10 -59.42 -36.47 75.94 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.558 0.948 . . . . 75.040000000000006 113.558 -173.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.4 pt-20 -54.91 -44.95 74.64 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.959 0.904 . . . . 71.200000000000003 112.05 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 26.3 mt-10 -76.21 -32.99 59.25 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.85 0.86 . . . . 75.409999999999997 111.107 176.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 26' ' ' LEU . 88.5 mt -63.74 -29.24 70.48 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.958 0.903 . . . . 75.120000000000005 112.591 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 71.2 mm-40 -64.96 -44.15 90.34 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.67 0.747 . . . . 63.219999999999999 110.44 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -71.12 -33.45 70.13 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.027 -0.988 . . . . 74.409999999999997 110.64 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -68.01 -35.13 77.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.172 0.589 . . . . 71.340000000000003 111.77 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.99 -42.79 99.94 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.69 0.396 . . . . 70.239999999999995 110.084 174.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -57.42 -31.96 66.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.588 0.755 . . . . 50.32 112.056 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.0 tp -70.46 -35.46 73.34 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.395 0.678 . . . . 73.230000000000004 111.429 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 29' ' ' GLN . 20.8 mt -65.19 -33.19 75.42 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.394 0.678 . . . . 73.319999999999993 110.329 175.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 66' ' ' ASN . 0.8 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.143 0.977 . . . . 75.340000000000003 112.465 178.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.73 175.53 9.86 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.58 0.752 . . . . 72.349999999999994 111.948 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.03 135.85 36.06 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.753 0.421 . . . . 74.329999999999998 110.821 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.83 -47.51 67.66 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.089 1.356 . . . . 62.009999999999998 114.492 -172.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -53.84 -49.22 68.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.862 0.465 . . . . 75.129999999999995 111.943 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.35 -44.27 92.0 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.504 0.721 . . . . 61.340000000000003 111.482 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.2 mt -52.04 -46.67 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 124.058 0.943 . . . . 74.530000000000001 111.188 175.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -68.49 -38.82 81.33 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.421 -0.809 . . . . 74.120000000000005 112.08 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -73.11 -23.41 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.499 0.555 . . . . 75.129999999999995 112.499 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -83.18 -34.45 25.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.029 0.532 . . . . 73.200000000000003 110.774 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.68 77.84 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.428 0.691 . . . . 34.520000000000003 112.021 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -97.44 175.91 6.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.84 0.856 . . . . 53.299999999999997 109.829 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -89.0 65.21 7.43 Favored 'General case' 0 CA--C 1.559 1.294 0 O-C-N 121.802 -0.561 . . . . 74.310000000000002 109.616 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -127.84 41.32 3.53 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.402 1.081 . . . . 75.540000000000006 109.638 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.38 -26.38 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.146 0.979 . . . . 72.5 112.457 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.61 ' HZ1' ' HB2' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -74.45 -20.85 59.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.286 0.235 . . . . 72.319999999999993 111.624 174.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -79.61 -54.48 5.84 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 74.340000000000003 109.354 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.5 m -124.19 107.38 30.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 123.821 0.848 . . . . 72.519999999999996 109.479 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.09 135.64 60.08 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.068 2.512 . . . . 74.140000000000001 113.014 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.73 123.87 89.75 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 122.841 0.456 . . . . 71.549999999999997 110.932 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.83 162.34 14.07 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.457 2.105 . . . . 73.319999999999993 112.165 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.28 -34.12 71.9 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.889 0.876 . . . . 75.319999999999993 112.826 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.68 63.52 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.694 0.798 . . . . 73.140000000000001 112.749 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -106.29 -23.3 12.59 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.207 0.817 . . . . 75.510000000000005 113.207 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.26 68.97 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.85 0.86 . . . . 73.430000000000007 112.536 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.581 ' H ' HD21 ' A' ' 91' ' ' ASN . 0.1 OUTLIER -98.6 0.67 45.31 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.044 0.938 . . . . 74.239999999999995 113.425 179.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -73.67 137.99 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.425 0.898 . . . . 74.109999999999999 113.425 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 11.3 mmpt? -65.29 -48.75 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.502 -0.772 . . . . 72.239999999999995 110.031 170.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.88 -43.5 69.64 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.18 1.392 . . . . 75.430000000000007 113.456 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.93 -43.93 94.65 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.333 -0.394 . . . . 75.140000000000001 111.768 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -70.95 -30.91 67.33 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.273 -0.421 . . . . 73.239999999999995 111.333 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 75.1 mm-40 -60.9 -46.83 89.09 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.186 0.517 . . . . 74.340000000000003 109.827 169.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.42 -38.91 81.67 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.691 1.196 . . . . 70.450000000000003 112.213 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -66.88 -50.81 61.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.559 0.744 . . . . 74.540000000000006 112.301 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.2 -24.05 61.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.111 -0.495 . . . . 71.129999999999995 111.553 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -74.08 -46.44 42.98 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.83 0.452 . . . . 74.319999999999993 111.34 169.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -57.38 -50.99 71.21 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.756 0.823 . . . . 75.129999999999995 112.347 -173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 107' ' ' LYS . 39.2 mt-10 -70.06 -22.57 63.06 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 73.5 112.848 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -120.44 19.2 12.07 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.172 0.804 . . . . 74.329999999999998 113.172 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -54.63 -68.43 0.19 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.614 1.166 . . . . 72.510000000000005 113.752 -170.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.09 20.07 17.34 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.496 0.718 . . . . 73.230000000000004 110.122 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 103' ' ' GLU . 22.6 mtpp -113.7 26.01 10.73 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.823 0.849 . . . . 72.310000000000002 110.758 -170.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.51 131.06 42.75 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.794 0.838 . . . . 75.230000000000004 111.948 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.164 0.986 . . . . 71.400000000000006 110.37 179.774 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 109.97 -0.381 . . . . 65.400000000000006 109.97 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.66 58.65 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 117.955 0.343 . . . . 73.140000000000001 112.913 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -77.52 -15.69 59.12 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.297 1.039 . . . . 72.329999999999998 111.838 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -52.94 112.32 0.83 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.038 0.935 . . . . 71.219999999999999 112.612 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -82.3 70.0 9.15 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 121.706 0.765 . . . . 74.510000000000005 109.272 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -141.47 115.54 9.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.535 1.134 . . . . 71.230000000000004 109.3 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -81.38 128.66 34.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.343 0.657 . . . . 71.430000000000007 111.132 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -79.34 156.2 28.1 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.915 0.486 . . . . 74.140000000000001 111.059 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -66.54 168.8 8.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.404 1.082 . . . . 71.349999999999994 113.332 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -84.8 49.29 1.69 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.659 0.784 . . . . 72.040000000000006 110.835 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.6 tpt -82.58 72.96 9.64 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 121.752 0.787 . . . . 75.129999999999995 112.142 -170.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.527 HG23 ' HG3' ' A' ' 14' ' ' ARG . 35.3 mm -127.25 117.28 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.329 1.451 . . . . 70.239999999999995 108.333 170.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -67.4 88.88 0.21 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.894 0.878 . . . . 75.420000000000002 111.659 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.527 ' HG3' HG23 ' A' ' 12' ' ' ILE . 44.7 mtm180 -134.27 115.6 14.31 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.767 0.827 . . . . 75.510000000000005 110.122 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -89.42 4.74 48.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.073 0.549 . . . . 73.430000000000007 111.267 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -82.95 166.75 18.6 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.178 0.591 . . . . 74.430000000000007 110.378 167.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 58.19 72.15 0.92 Allowed Pre-proline 0 CA--C 1.564 1.495 0 C-N-CA 124.125 0.97 . . . . 71.299999999999997 110.871 -167.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 21' ' ' LYS . 40.6 Cg_exo -61.05 170.41 4.9 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 123.147 2.565 . . . . 72.319999999999993 113.992 172.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 55' ' ' GLU . 2.5 mm? -69.05 -33.14 73.09 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.478 0.711 . . . . 75.409999999999997 111.076 172.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.96 -49.51 72.27 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.379 0.672 . . . . 72.140000000000001 111.164 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 88.3 mttt -72.36 -25.33 61.48 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.135 0.42 . . . . 75.319999999999993 112.135 178.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 33.4 ttmt -65.05 -51.52 61.05 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.844 0.293 . . . . 75.519999999999996 110.454 172.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' HA ' HD23 ' A' ' 50' ' ' LEU . 30.5 mtm180 -51.22 -52.02 48.48 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.674 0.609 . . . . 74.299999999999997 111.5 173.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.01 80.96 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.283 0.633 . . . . 73.140000000000001 111.951 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -64.91 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.662 1.185 . . . . 71.209999999999994 112.54 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.8 mt -79.45 -41.97 26.39 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 122.04 -0.412 . . . . 72.310000000000002 111.897 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.645 HG12 ' HB3' ' A' ' 46' ' ' ALA . 58.4 mt -59.95 -28.8 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.801 0.81 . . . . 72.129999999999995 110.942 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.83 -48.02 60.57 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.312 1.045 . . . . 74.439999999999998 111.812 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.684 ' HB2' HD11 ' A' ' 65' ' ' LEU . 42.7 mt-30 -75.77 -24.1 55.99 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 112.171 0.434 . . . . 75.549999999999997 112.171 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 94.6 p -68.73 -36.01 77.85 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.909 0.484 . . . . 73.120000000000005 111.88 -178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.54 -1.28 55.6 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 115.615 -0.72 . . . . 75.530000000000001 112.31 177.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -83.3 110.69 18.32 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.392 -0.966 . . . . 73.430000000000007 108.392 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.575 ' NE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -150.9 152.77 34.13 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.287 0.635 . . . . 74.450000000000003 111.783 -170.791 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.45 -25.56 60.89 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.021 -0.536 . . . . 70.400000000000006 112.948 171.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -129.33 153.19 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 123.865 0.866 . . . . 73.430000000000007 112.002 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 tp -72.11 -27.45 62.64 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.688 -0.687 . . . . 71.420000000000002 111.732 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' A' ' 35' ' ' ILE . 43.3 mm-40 -56.64 -52.71 63.84 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.398 0.518 . . . . 75.049999999999997 112.398 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.508 ' HG1' ' HB2' ' A' ' 73' ' ' TYR . 4.4 m -74.4 -27.76 60.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.914 0.486 . . . . 72.040000000000006 111.917 177.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.29 -51.25 70.75 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.656 0.382 . . . . 72.310000000000002 111.433 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.5 -28.76 69.53 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.678 0.791 . . . . 71.150000000000006 111.547 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.9 tp -72.33 -60.7 2.1 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.878 0.871 . . . . 62.100000000000001 111.767 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.674 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 66.9 mt -75.99 -39.19 56.38 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.755 1.02 . . . . 74.430000000000007 113.755 -171.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.9 t -63.15 -44.86 94.35 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 118.241 0.473 . . . . 73.299999999999997 111.438 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.4 77.45 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 116.152 -0.476 . . . . 71.209999999999994 113.318 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.19 -39.63 79.44 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.774 0.83 . . . . 70.439999999999998 110.646 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.785 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.29 -37.01 74.73 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.115 -0.948 . . . . 61.109999999999999 112.021 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.55 -25.14 61.26 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.841 0.682 . . . . 75.239999999999995 112.841 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -92.81 -55.75 3.25 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 112.732 0.642 . . . . 74.25 112.732 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.99 -47.18 12.99 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.99 1.107 . . . . 74.430000000000007 113.99 -167.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.785 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.3 mp -54.58 -32.55 58.78 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.528 0.936 . . . . 75.329999999999998 113.528 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -55.89 -33.38 64.58 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 74.430000000000007 112.549 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -119.22 -0.51 11.01 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.79 0.836 . . . . 73.519999999999996 112.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.522 ' SD ' HD23 ' A' ' 58' ' ' LEU . 49.0 ttm -74.99 140.13 43.41 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.68 0.792 . . . . 73.420000000000002 111.993 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -80.53 161.83 24.62 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.454 0.702 . . . . 71.349999999999994 111.478 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.639 ' HB2' HD11 ' A' ' 19' ' ' LEU . 43.7 tt0 -61.21 -27.68 68.61 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.471 0.708 . . . . 74.129999999999995 111.74 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -54.45 -50.12 68.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.185 0.994 . . . . 74.200000000000003 111.922 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.8 -29.29 40.27 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.234 0.827 . . . . 73.310000000000002 113.234 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.522 HD23 ' SD ' ' A' ' 53' ' ' MET . 86.8 mt -63.45 -37.45 87.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 119.179 0.9 . . . . 74.510000000000005 112.263 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.87 -31.39 68.06 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 120.739 0.305 . . . . 75.549999999999997 111.079 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.82 -36.62 67.56 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.512 0.725 . . . . 75.420000000000002 110.763 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.51 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 57.5 t80 -69.27 -37.03 77.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.69 0.796 . . . . 74.299999999999997 110.869 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.74 -37.86 83.2 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.795 -0.639 . . . . 73.239999999999995 110.564 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -64.21 -38.03 89.61 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.539 0.736 . . . . 64.209999999999994 111.804 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.79 -28.61 69.14 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.761 0.825 . . . . 74.200000000000003 111.2 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 29' ' ' GLN . 62.9 mt -78.37 -0.57 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.413 0.685 . . . . 74.230000000000004 112.517 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -107.81 9.18 28.99 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.527 0.731 . . . . 60.109999999999999 111.903 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -85.46 -163.06 0.79 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.172 0.589 . . . . 71.129999999999995 110.567 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -110.83 137.95 47.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.522 0.729 . . . . 74.450000000000003 110.37 172.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.575 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -45.95 -54.33 8.47 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.857 1.058 . . . . 74.430000000000007 113.857 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.94 -47.61 67.95 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.582 0.586 . . . . 75.409999999999997 112.582 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.96 -48.21 74.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.525 0.33 . . . . 74.409999999999997 111.264 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.03 -42.73 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 123.992 0.917 . . . . 71.140000000000001 111.219 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' HB2' ' HG1' ' A' ' 38' ' ' THR . 69.8 t80 -65.75 -42.82 90.47 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.077 -0.965 . . . . 71.120000000000005 111.711 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -74.57 -26.72 60.13 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.216 0.45 . . . . 72.319999999999993 112.216 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.455 ' HB3' HD13 ' A' ' 95' ' ' LEU . 38.5 m0 -72.05 -44.02 64.0 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.879 0.371 . . . . 60.119999999999997 110.606 174.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -51.59 51.17 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.814 0.845 . . . . 73.140000000000001 112.856 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.9 p -72.19 -10.78 60.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.902 0.481 . . . . 75.530000000000001 112.296 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' HE2' ' A' ' 80' ' ' PHE . 11.3 tmtt? 62.88 57.81 1.63 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.618 1.167 . . . . 75.239999999999995 109.208 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -134.93 65.79 1.55 Allowed 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 114.024 -1.444 . . . . 73.409999999999997 108.661 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HE2' ' HG2' ' A' ' 78' ' ' LYS . 67.6 m-85 -80.95 17.91 1.12 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.082 -0.963 . . . . 74.209999999999994 113.058 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -23.76 54.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.668 0.988 . . . . 73.310000000000002 113.668 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -131.45 -30.02 1.72 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.633 0.773 . . . . 73.230000000000004 111.449 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 95.41 49.12 Favored Pre-proline 0 N--CA 1.489 1.478 0 C-N-CA 123.43 0.692 . . . . 65.140000000000001 111.017 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.0 168.44 20.55 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.16 2.573 . . . . 74.409999999999997 113.359 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.7 tp -89.59 121.46 69.14 Favored Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 123.246 0.618 . . . . 72.420000000000002 111.725 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -72.28 174.13 11.97 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.681 2.921 . . . . 74.010000000000005 113.767 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.11 -48.03 66.59 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.236 1.014 . . . . 70.530000000000001 113.037 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -67.62 -16.14 64.01 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.549 0.944 . . . . 73.340000000000003 113.549 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -100.85 -17.51 16.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.858 0.463 . . . . 75.129999999999995 111.355 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.96 111.21 2.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.03 0.532 . . . . 75.430000000000007 110.056 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 69.81 23.86 5.51 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.206 1.403 . . . . 54.030000000000001 112.722 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -81.19 129.64 34.67 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.875 0.47 . . . . 71.140000000000001 109.893 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 26.0 ttpp -67.61 -38.31 83.78 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 119.208 -0.425 . . . . 75.409999999999997 111.005 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.9 tp -52.1 -42.48 63.28 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.986 0.914 . . . . 74.349999999999994 111.729 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 75' ' ' TRP . 62.6 tp -57.85 -50.76 72.23 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.892 -1.049 . . . . 73.109999999999999 111.42 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -65.79 -31.45 72.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.936 0.494 . . . . 75.319999999999993 112.088 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 13.2 mm100 -61.75 -43.34 99.05 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.598 0.713 . . . . 73.400000000000006 109.888 171.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -71.43 -34.93 70.73 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.909 1.284 . . . . 73.340000000000003 111.742 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.35 -43.1 78.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.012 0.925 . . . . 75.540000000000006 111.439 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -65.09 -38.49 90.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.952 0.501 . . . . 75.349999999999994 110.858 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.96 -40.81 96.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.636 0.375 . . . . 70.010000000000005 111.553 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.579 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 28.8 t -58.4 -29.1 65.79 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.05 0.54 . . . . 74.510000000000005 112.105 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.44 -13.45 60.39 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.696 0.798 . . . . 74.349999999999994 112.156 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -105.06 10.82 33.88 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.315 1.046 . . . . 52.32 112.019 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.579 ' HD3' ' HA ' ' A' ' 102' ' ' SER . 23.1 mtpp -87.13 31.49 0.72 Allowed 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.934 0.894 . . . . 73.439999999999998 112.16 176.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -87.59 -13.06 43.85 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.806 1.242 . . . . 75.099999999999994 112.351 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -75.88 87.12 2.85 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 122.566 1.174 . . . . 74.219999999999999 112.286 -171.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.07 165.41 15.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.256 -1.338 . . . . 74.549999999999997 111.846 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.489 1.476 0 C-N-CA 123.412 0.685 . . . . 74.200000000000003 110.26 177.406 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 111.713 0.264 . . . . 75.129999999999995 111.713 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 119.19 -168.05 13.34 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 114.531 0.573 . . . . 71.230000000000004 114.531 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -119.86 164.42 16.04 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.15 0.98 . . . . 71.349999999999994 111.459 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -153.39 160.42 42.63 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.321 0.648 . . . . 74.319999999999993 111.405 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -69.14 105.82 2.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.898 0.879 . . . . 74.530000000000001 112.334 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.15 161.67 21.52 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.453 0.701 . . . . 71.519999999999996 111.762 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -108.69 112.54 24.9 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.866 0.866 . . . . 73.099999999999994 109.633 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -75.67 76.83 2.65 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.146 0.578 . . . . 73.010000000000005 110.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -82.38 82.24 7.92 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 71.519999999999996 111.067 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -146.25 134.12 21.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.06 0.944 . . . . 75.340000000000003 110.582 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 ttm -135.24 127.43 30.01 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.27 1.028 . . . . 71.120000000000005 108.95 175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.52 92.75 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.824 0.821 . . . . 74.310000000000002 109.494 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -106.93 25.07 11.77 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.854 1.261 . . . . 75.549999999999997 110.282 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.3 76.93 10.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.619 0.767 . . . . 74.530000000000001 110.685 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -60.41 -37.73 81.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.429 -0.805 . . . . 72.430000000000007 110.13 172.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.23 105.57 16.7 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.249 -0.887 . . . . 70.329999999999998 110.47 174.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -152.26 77.72 6.67 Favored Pre-proline 0 CA--C 1.56 1.33 0 C-N-CA 123.193 0.597 . . . . 73.439999999999998 110.187 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 36.1 Cg_exo -62.06 168.72 8.64 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.276 2.65 . . . . 71.349999999999994 113.908 170.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -33.27 74.61 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.753 0.821 . . . . 74.340000000000003 112.038 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.58 -45.62 89.6 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.006 0.523 . . . . 74.120000000000005 111.102 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 61.7 mttm -64.85 -39.7 93.98 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 116.515 -0.311 . . . . 73.450000000000003 111.391 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -64.46 -40.96 96.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.516 0.726 . . . . 75.430000000000007 111.406 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 47.3 ttp180 -56.16 -49.06 75.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.604 0.762 . . . . 72.140000000000001 111.024 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.93 95.95 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.97 -0.559 . . . . 62.119999999999997 111.969 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -64.19 -36.55 84.41 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.258 1.023 . . . . 74.219999999999999 111.976 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HB2' HD22 ' A' ' 50' ' ' LEU . 69.6 mt -73.16 -43.21 61.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.53 0.332 . . . . 70.219999999999999 111.681 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG13 HD21 ' A' ' 50' ' ' LEU . 65.4 mt -60.32 -37.03 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.252 0.548 . . . . 72.129999999999995 110.209 173.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -61.33 -48.76 79.86 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.078 0.951 . . . . 74.120000000000005 111.454 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -69.62 -19.08 63.64 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.774 0.829 . . . . 75.409999999999997 112.43 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 m -76.46 -33.46 58.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.434 0.693 . . . . 71.109999999999999 110.561 172.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -82.39 -14.88 54.49 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.08 0.952 . . . . 75.120000000000005 111.584 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -85.98 110.7 19.65 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.513 -0.921 . . . . 63.310000000000002 108.513 166.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.33 -178.09 6.04 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 75.340000000000003 109.699 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.33 -18.43 5.81 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.079 -0.51 . . . . 71.519999999999996 112.857 168.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.78 133.77 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 124.039 0.936 . . . . 71.129999999999995 111.174 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.23 -33.99 77.07 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.122 0.969 . . . . 74.219999999999999 112.472 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -60.21 -46.11 90.87 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.229 0.538 . . . . 74.400000000000006 111.166 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -73.75 -31.93 63.59 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.714 -0.675 . . . . 71.400000000000006 111.752 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.59 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 34.8 t70 -65.34 -53.92 36.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.226 1.01 . . . . 64.0 111.437 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.33 -40.85 75.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.941 0.896 . . . . 72.439999999999998 111.428 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -58.94 5.18 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.971 0.908 . . . . 70.450000000000003 112.523 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD13 ' HD2' ' A' ' 33' ' ' ARG . 76.3 mt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 112.886 0.699 . . . . 74.219999999999999 112.886 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.3 m -64.87 -42.64 94.67 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.375 0.27 . . . . 72.420000000000002 111.652 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.98 80.96 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 112.749 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -60.78 -39.34 88.49 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.736 0.814 . . . . 72.25 110.612 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -69.16 -39.15 78.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.401 0.68 . . . . 75.409999999999997 112.118 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.86 92.65 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.617 -0.72 . . . . 72.439999999999998 111.943 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.84 -55.92 3.73 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.391 0.676 . . . . 73.329999999999998 112.644 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.409 ' HB3' ' HE1' ' A' ' 53' ' ' MET . 46.9 m-85 -78.77 -31.74 46.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.379 1.251 . . . . 73.129999999999995 114.379 -166.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 46' ' ' ALA . 10.7 mp -64.51 -19.89 65.87 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.822 0.737 . . . . 74.310000000000002 112.534 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.72 -37.02 70.68 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 122.942 0.497 . . . . 73.150000000000006 112.047 172.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -92.09 -24.86 19.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.543 0.942 . . . . 65.439999999999998 113.543 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.409 ' HE1' ' HB3' ' A' ' 49' ' ' TYR . 68.8 mtm -84.28 141.13 31.17 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.24 0.83 . . . . 74.530000000000001 113.24 -171.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -86.99 167.22 14.44 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.393 1.077 . . . . 75.200000000000003 109.348 171.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.57 -31.92 62.57 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.459 0.704 . . . . 72.400000000000006 112.659 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -52.88 -47.59 67.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 123.638 0.775 . . . . 73.049999999999997 112.089 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.542 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 30.4 mt-10 -78.02 -34.32 50.7 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.269 1.027 . . . . 71.420000000000002 111.23 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.497 HD21 ' HG ' ' A' ' 50' ' ' LEU . 35.9 mt -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.236 1.014 . . . . 75.040000000000006 113.642 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -75.38 -29.84 59.96 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.644 0.377 . . . . 74.420000000000002 111.121 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -68.63 -35.43 77.27 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.294 0.569 . . . . 72.519999999999996 109.579 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.4 t80 -68.3 -36.26 79.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.181 0.592 . . . . 72.310000000000002 111.571 176.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.88 -37.97 86.56 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.792 0.437 . . . . 71.120000000000005 110.187 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 58.6 m -64.84 -30.07 71.06 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.685 0.794 . . . . 71.439999999999998 112.103 173.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.49 HD23 HD22 ' A' ' 98' ' ' LEU . 45.9 tp -75.45 -37.32 60.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.326 0.65 . . . . 72.150000000000006 111.244 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 71.1 mt -68.09 -28.24 67.17 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.79 0.805 . . . . 74.049999999999997 110.303 173.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.63 -20.1 64.45 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.92 1.288 . . . . 74.349999999999994 111.999 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 63' ' ' SER . 19.8 mm-40 -80.0 172.74 13.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 113.761 1.022 . . . . 75.430000000000007 113.761 -175.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.69 126.25 30.68 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.22 -1.355 . . . . 74.310000000000002 111.347 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.91 -66.73 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 115.09 1.515 . . . . 63.229999999999997 115.09 -171.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -53.71 -40.5 66.1 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.063 0.392 . . . . 74.030000000000001 111.625 -177.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 -42.91 93.86 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.761 -0.654 . . . . 72.010000000000005 110.957 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.402 HD12 HD11 ' A' ' 42' ' ' LEU . 75.1 mt -53.59 -45.47 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 C-N-CA 123.918 0.887 . . . . 72.140000000000001 111.073 174.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -66.89 -40.83 87.88 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.225 -0.898 . . . . 74.439999999999998 111.917 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -76.68 -29.06 56.18 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.465 0.543 . . . . 74.439999999999998 112.465 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -75.22 -32.38 61.13 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.959 0.504 . . . . 74.420000000000002 110.742 173.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.57 76.1 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.431 0.692 . . . . 71.409999999999997 111.821 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -95.83 172.76 7.82 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.271 0.628 . . . . 75.239999999999995 110.675 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -89.9 69.37 7.48 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 108.069 -1.086 . . . . 73.430000000000007 108.069 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -147.8 77.93 1.44 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.956 0.884 . . . . 73.340000000000003 109.918 -175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -103.72 0.4 30.48 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 115.338 -0.847 . . . . 64.329999999999998 112.164 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 -18.87 60.87 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.046 0.538 . . . . 74.450000000000003 112.124 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -106.75 -35.2 7.05 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.774 0.83 . . . . 74.439999999999998 111.551 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.8 m -130.88 97.12 21.1 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 123.63 0.772 . . . . 73.019999999999996 110.142 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.77 146.82 96.37 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.046 2.497 . . . . 64.129999999999995 112.454 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.0 tp -84.17 117.51 68.88 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 122.873 0.469 . . . . 72.530000000000001 111.034 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.527 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 5.7 Cg_exo -76.68 163.78 31.16 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.079 2.519 . . . . 75.109999999999999 111.932 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.7 -38.05 71.76 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.833 0.853 . . . . 72.510000000000005 112.181 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -59.44 -28.46 66.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.232 1.013 . . . . 75.209999999999994 113.652 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -114.44 -4.87 12.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 122.079 -0.388 . . . . 73.109999999999999 111.951 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.32 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.801 0.841 . . . . 73.340000000000003 112.493 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -121.75 12.23 10.58 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.969 0.908 . . . . 74.019999999999996 111.808 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -77.37 119.39 20.93 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.226 0.611 . . . . 75.430000000000007 111.771 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.65 -32.33 70.94 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.245 0.34 . . . . 70.230000000000004 110.857 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.04 -43.35 81.89 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.487 0.715 . . . . 72.209999999999994 111.534 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.61 -39.85 95.41 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.843 -0.617 . . . . 74.140000000000001 111.085 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.36 -37.73 88.39 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.011 0.524 . . . . 74.420000000000002 110.897 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -64.11 -38.63 91.74 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.989 0.916 . . . . 74.310000000000002 111.056 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.49 HD22 HD23 ' A' ' 64' ' ' LEU . 35.9 tp -69.7 -33.67 72.84 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.309 1.044 . . . . 75.329999999999998 111.067 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.46 -41.33 69.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.858 0.863 . . . . 74.219999999999999 111.422 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.85 -40.62 95.96 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.544 0.738 . . . . 64.299999999999997 111.179 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 72.7 t80 -69.06 -49.61 55.85 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.893 -0.594 . . . . 74.540000000000006 111.356 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -56.59 -40.29 75.01 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.701 0.801 . . . . 71.109999999999999 112.748 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.74 -29.79 51.3 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.116 0.566 . . . . 73.019999999999996 111.898 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -100.62 31.1 3.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.377 0.671 . . . . 70.120000000000005 112.024 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 8.4 mtpm? -80.87 41.9 0.6 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.604 0.716 . . . . 74.450000000000003 110.604 168.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.52 10.88 39.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.689 1.196 . . . . 75.540000000000006 111.01 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.23 -12.67 60.01 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.76 0.824 . . . . 75.0 110.301 171.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.76 172.66 11.05 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.553 1.541 . . . . 74.319999999999993 110.051 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.6 pt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.135 0.493 . . . . 75.230000000000004 111.011 177.793 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 120.427 0.155 . . . . 72.200000000000003 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.81 149.93 17.82 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 112.344 -0.303 . . . . 73.420000000000002 112.344 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -111.96 115.63 29.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.468 0.707 . . . . 75.140000000000001 109.671 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -59.42 120.15 8.81 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 122.732 0.413 . . . . 75.109999999999999 111.591 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -69.08 117.31 10.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.955 0.502 . . . . 72.140000000000001 111.269 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.95 155.37 38.72 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.363 0.665 . . . . 72.140000000000001 111.12 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -76.57 -179.58 5.35 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.701 0.801 . . . . 75.129999999999995 112.447 -174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -79.92 47.53 0.88 Allowed 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.597 0.759 . . . . 75.310000000000002 112.304 177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -74.37 143.49 44.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.476 0.71 . . . . 72.530000000000001 112.194 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -68.02 148.9 50.37 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.116 0.566 . . . . 75.040000000000006 110.943 173.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.0 ptp -147.38 134.41 20.34 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.087 0.555 . . . . 63.229999999999997 110.905 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.91 119.55 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 108.635 -0.876 . . . . 74.349999999999994 108.635 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -86.34 115.27 23.77 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 122.359 0.264 . . . . 73.519999999999996 110.687 -172.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -81.32 4.67 19.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.826 0.851 . . . . 71.340000000000003 113.007 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -74.62 82.78 2.04 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.858 0.837 . . . . 72.140000000000001 111.766 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -152.68 139.86 19.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.364 1.065 . . . . 74.209999999999994 108.474 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -120.23 112.42 34.58 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.013 0.525 . . . . 73.200000000000003 110.634 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 49.5 Cg_exo -59.04 159.18 22.61 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 123.138 2.558 . . . . 74.049999999999997 112.989 167.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.97 -36.45 72.59 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.296 1.038 . . . . 72.120000000000005 111.506 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.67 -34.29 73.77 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.39 0.676 . . . . 74.109999999999999 111.605 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 88.5 mttt -74.69 -30.26 61.5 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.62 0.368 . . . . 75.400000000000006 111.64 173.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 26' ' ' LEU . 35.3 tttp -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.919 0.487 . . . . 73.239999999999995 110.267 170.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -52.81 -50.74 63.06 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.604 1.162 . . . . 65.450000000000003 111.428 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.56 84.97 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.273 0.629 . . . . 63.009999999999998 112.134 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -71.41 -33.35 69.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.263 0.625 . . . . 73.409999999999997 112.029 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD12 ' HE3' ' A' ' 22' ' ' LYS . 93.4 mt -66.0 -45.36 81.87 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.408 -0.182 . . . . 73.150000000000006 110.519 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 46' ' ' ALA . 70.8 mt -56.94 -39.05 62.89 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 123.709 0.804 . . . . 74.439999999999998 111.116 173.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -65.17 -39.07 92.42 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.525 1.13 . . . . 74.109999999999999 112.118 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.454 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.7 mt-30 -79.95 -16.38 55.37 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.884 0.874 . . . . 72.319999999999993 111.77 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -72.75 -35.99 67.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.818 0.847 . . . . 74.439999999999998 109.983 169.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -80.16 -10.32 59.76 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.765 -1.107 . . . . 63.109999999999999 112.59 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 59.7 mttm -101.73 112.74 25.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.023 -0.732 . . . . 75.219999999999999 109.023 167.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -150.74 158.83 44.61 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.558 0.743 . . . . 74.299999999999997 110.54 -173.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.9 -31.34 69.9 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 116.455 -0.339 . . . . 75.150000000000006 113.322 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.55 HD11 ' HB2' ' A' ' 37' ' ' GLU . 41.8 pt -130.84 151.62 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.29 0.636 . . . . 71.219999999999999 111.893 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.8 -19.43 60.76 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.965 0.906 . . . . 74.010000000000005 112.722 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB2' HD11 ' A' ' 35' ' ' ILE . 10.6 mp0 -64.64 -52.78 55.6 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.204 0.602 . . . . 75.340000000000003 110.651 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.6 m -73.26 -28.79 62.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.354 0.662 . . . . 73.239999999999995 111.257 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.04 -48.59 75.72 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.703 0.401 . . . . 74.430000000000007 111.319 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.82 -40.09 83.13 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.147 0.579 . . . . 75.010000000000005 111.689 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.73 -58.39 7.64 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.35 1.06 . . . . 75.239999999999995 112.012 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.73 -37.2 59.58 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.828 1.047 . . . . 74.120000000000005 113.828 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 m -65.31 -42.26 93.21 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 118.284 0.493 . . . . 70.420000000000002 111.717 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -41.03 84.36 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 116.556 -0.293 . . . . 72.430000000000007 112.5 173.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -62.04 -35.27 78.1 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.039 0.936 . . . . 74.439999999999998 110.63 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -74.16 -40.56 62.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.239 0.616 . . . . 73.430000000000007 111.822 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.62 87.71 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 116.221 -0.445 . . . . 61.229999999999997 111.934 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -82.36 -55.5 4.47 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.559 0.744 . . . . 73.340000000000003 112.59 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HH ' ' HB2' ' A' ' 101' ' ' PHE . 36.2 m-85 -78.12 -49.6 13.6 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 118.796 -0.621 . . . . 73.120000000000005 112.528 -171.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.9 mp -60.75 -22.54 64.14 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.562 0.949 . . . . 74.420000000000002 113.562 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -64.1 -33.37 75.61 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 122.367 0.267 . . . . 72.209999999999994 111.556 174.719 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.27 12.06 12.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.598 0.759 . . . . 74.430000000000007 112.284 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.592 ' SD ' HD23 ' A' ' 58' ' ' LEU . 55.6 ttm -83.61 133.32 34.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.436 0.694 . . . . 74.140000000000001 111.293 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -74.91 160.82 30.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.776 0.43 . . . . 74.209999999999994 111.748 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.86 -39.49 77.92 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.465 1.106 . . . . 74.200000000000003 111.656 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.8 -41.7 95.59 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.147 0.979 . . . . 72.109999999999999 112.585 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.37 -33.53 73.2 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.209999999999994 111.65 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.592 HD23 ' SD ' ' A' ' 53' ' ' MET . 84.6 mt -58.42 -29.22 65.94 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.058 0.943 . . . . 72.099999999999994 112.394 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.93 -36.98 72.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.451 0.7 . . . . 74.329999999999998 112.165 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.93 -38.21 72.9 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.053 0.454 . . . . 74.5 110.529 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -68.84 -33.52 73.96 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.095 -0.502 . . . . 74.109999999999999 111.37 175.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.87 -44.94 86.95 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.878 0.871 . . . . 72.400000000000006 109.353 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m -57.25 -43.92 83.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.939 0.896 . . . . 74.319999999999993 112.225 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.38 -31.67 72.37 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.97 0.908 . . . . 74.340000000000003 111.852 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 29' ' ' GLN . 91.5 mt -75.12 -15.5 60.59 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 113.007 0.744 . . . . 73.140000000000001 113.007 178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -88.11 -14.85 37.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.911 0.484 . . . . 62.399999999999999 111.675 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.78 157.41 28.46 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.862 0.465 . . . . 62.299999999999997 112.179 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.62 124.48 23.37 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.742 0.817 . . . . 73.319999999999993 110.203 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.609 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.3 p30 -46.33 -56.22 6.15 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.655 1.182 . . . . 74.510000000000005 113.966 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -50.89 -47.37 60.62 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.204 0.602 . . . . 75.209999999999994 112.205 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.42 -49.06 78.65 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.59 0.756 . . . . 71.430000000000007 111.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -54.59 -40.01 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 123.878 0.871 . . . . 73.239999999999995 111.185 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.63 -43.23 69.66 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.645 -0.707 . . . . 72.140000000000001 111.544 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -66.4 -34.54 78.19 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.288 0.635 . . . . 73.310000000000002 112.236 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -70.5 -40.43 73.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.754 0.422 . . . . 74.420000000000002 110.741 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.89 69.99 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.493 0.717 . . . . 74.530000000000001 112.401 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.19 -1.82 44.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.594 0.757 . . . . 75.0 112.154 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 65.85 14.51 9.6 Favored 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 125.201 1.4 . . . . 71.510000000000005 112.403 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.49 84.58 6.78 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.576 0.751 . . . . 73.420000000000002 110.036 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -91.13 14.65 13.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.212 0.605 . . . . 74.430000000000007 112.304 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -56.99 -46.97 81.88 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.407 1.083 . . . . 53.530000000000001 112.422 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t -109.44 -26.39 10.02 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.155 0.582 . . . . 74.450000000000003 112.419 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -124.44 95.76 42.6 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 123.455 0.702 . . . . 75.030000000000001 110.443 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.67 160.6 35.69 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.26 2.64 . . . . 72.030000000000001 113.359 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 86' ' ' PRO . 34.3 tp -91.85 123.21 63.83 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 122.797 0.439 . . . . 74.329999999999998 111.465 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HD2' HD11 ' A' ' 85' ' ' LEU . 86.5 Cg_endo -81.58 157.96 19.12 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 123.03 2.487 . . . . 64.129999999999995 112.543 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 -33.03 70.79 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.188 0.995 . . . . 73.239999999999995 113.1 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -56.33 -39.1 72.27 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.77 0.828 . . . . 72.310000000000002 112.073 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.422 ' HB3' HD21 ' A' ' 95' ' ' LEU . 83.4 m95 -97.4 -26.39 14.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.856 0.463 . . . . 74.209999999999994 111.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.62 89.0 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.274 0.559 . . . . 75.129999999999995 111.668 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.7 11.82 38.74 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.615 0.766 . . . . 73.5 112.385 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.3 p -92.69 139.82 30.17 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.675 0.39 . . . . 65.219999999999999 110.898 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -70.87 -36.51 72.84 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.669 0.788 . . . . 74.239999999999995 111.382 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.39 -45.94 87.34 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.22 1.008 . . . . 75.239999999999995 112.735 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.759 ' HG ' HE22 ' A' ' 99' ' ' GLN . 40.0 tp -58.75 -43.75 90.34 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.047 0.451 . . . . 74.439999999999998 110.88 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.14 -27.43 66.44 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.793 0.437 . . . . 75.010000000000005 111.456 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.72 -36.07 82.57 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.437 0.695 . . . . 74.019999999999996 111.337 167.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.27 -43.49 77.66 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.257 1.023 . . . . 72.239999999999995 112.425 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.759 HE22 ' HG ' ' A' ' 95' ' ' LEU . 1.4 mp0 -63.49 -46.76 84.65 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.169 0.433 . . . . 64.519999999999996 112.169 176.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.25 -24.15 63.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 111.631 0.234 . . . . 72.430000000000007 111.631 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.507 ' HB2' ' HH ' ' A' ' 49' ' ' TYR . 66.7 t80 -73.14 -39.85 65.37 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.578 0.351 . . . . 75.109999999999999 110.941 169.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.8 t -57.15 -30.79 64.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.581 0.752 . . . . 72.120000000000005 111.427 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -66.14 -49.87 65.96 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.715 0.806 . . . . 74.329999999999998 110.738 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' HD21 ' A' ' 104' ' ' ASN . 0.8 OUTLIER -69.5 -15.32 63.23 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.381 1.072 . . . . 71.120000000000005 112.876 -176.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HB3' ' HZ1' ' A' ' 105' ' ' LYS . 10.1 mtpm? -65.77 -20.33 66.22 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.678 0.791 . . . . 73.230000000000004 112.25 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.24 20.38 11.57 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.757 0.823 . . . . 75.420000000000002 111.57 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt 54.29 43.65 30.2 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.234 1.414 . . . . 72.140000000000001 113.404 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -89.87 16.11 8.7 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.381 0.882 . . . . 75.319999999999993 113.381 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.487 1.411 0 C-N-CA 124.807 1.243 . . . . 74.310000000000002 111.833 -173.693 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.313 0.101 . . . . 73.099999999999994 111.039 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.02 165.28 31.37 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 114.663 0.625 . . . . 34.200000000000003 114.663 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -79.19 95.27 5.57 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 121.726 0.774 . . . . 75.409999999999997 110.194 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -126.02 30.87 5.56 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.783 0.833 . . . . 75.549999999999997 110.749 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -57.3 -44.81 84.4 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 123.94 0.896 . . . . 75.310000000000002 111.813 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.2 m170 57.87 85.58 0.09 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.942 1.297 . . . . 73.530000000000001 113.263 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.16 119.77 31.54 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 75.319999999999993 109.461 173.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -65.06 100.14 0.41 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.313 0.645 . . . . 74.230000000000004 111.608 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t -64.22 127.82 33.11 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.589 0.756 . . . . 72.150000000000006 110.381 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.69 31.97 0.47 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.289 0.848 . . . . 72.450000000000003 113.289 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.9 mtp -83.57 145.43 28.87 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.326 1.051 . . . . 73.310000000000002 111.019 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.6 mt -69.21 87.92 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-O 121.326 0.584 . . . . 72.219999999999999 110.751 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -136.61 1.09 2.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.448 1.099 . . . . 72.109999999999999 111.456 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -85.55 -6.54 59.17 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.743 0.817 . . . . 71.450000000000003 110.952 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -75.68 7.26 3.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.959 1.303 . . . . 73.150000000000006 113.163 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.38 -78.33 0.45 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.494 0.717 . . . . 61.25 111.11 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 51.23 83.76 0.22 Allowed Pre-proline 0 CA--C 1.569 1.688 0 C-N-CA 124.873 1.269 . . . . 64.439999999999998 112.865 -173.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.558 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 73.8 Cg_endo -73.07 167.27 27.78 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.681 2.254 . . . . 74.120000000000005 113.249 170.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -34.36 77.9 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.054 0.942 . . . . 73.329999999999998 110.919 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.46 -28.32 67.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.628 0.771 . . . . 75.209999999999994 112.666 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 30.5 mttm -66.83 -41.56 87.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 119.429 -0.319 . . . . 73.549999999999997 111.103 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.1 ttpt -58.16 -53.44 58.21 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.234 0.334 . . . . 75.430000000000007 110.648 172.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.54 -53.23 54.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.883 0.873 . . . . 72.340000000000003 112.314 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.237 0.615 . . . . 71.0 111.943 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.96 -31.54 69.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.61 0.764 . . . . 74.409999999999997 112.025 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 97.5 mt -70.01 -44.19 69.82 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.429 0.292 . . . . 74.040000000000006 110.844 174.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.477 HG12 ' HB2' ' A' ' 46' ' ' ALA . 66.1 mt -60.35 -32.32 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 C-N-CA 123.234 0.614 . . . . 72.340000000000003 110.744 172.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.57 -53.61 39.5 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.514 0.726 . . . . 73.319999999999993 110.805 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.5 mt-30 -66.19 -18.08 65.13 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 71.510000000000005 112.509 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.537 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 83.0 p -83.38 -46.19 12.84 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.45 0.7 . . . . 74.400000000000006 111.883 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -80.45 1.41 29.35 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.545 -0.752 . . . . 72.430000000000007 111.68 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -115.84 109.48 17.69 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 109.053 -0.721 . . . . 71.420000000000002 109.053 168.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' A' ' 42' ' ' LEU . 5.9 mmp_? -135.63 -171.37 2.83 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 124.553 1.141 . . . . 74.439999999999998 110.046 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.74 -26.87 25.87 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-N 116.359 -0.382 . . . . 70.519999999999996 112.401 168.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.6 pt -126.27 141.6 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.629 0.771 . . . . 71.299999999999997 111.678 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -21.79 64.43 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.828 0.851 . . . . 72.209999999999994 111.172 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.32 -52.38 64.94 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.762 0.825 . . . . 74.400000000000006 111.026 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 m -74.29 -28.28 61.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.66 -0.7 . . . . 74.319999999999993 111.708 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.82 -45.21 74.4 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 118.286 0.494 . . . . 74.109999999999999 111.284 169.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.41 -41.49 94.02 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.838 0.455 . . . . 72.439999999999998 111.649 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.598 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 62.0 tp -65.53 -60.54 2.83 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.417 -0.81 . . . . 74.319999999999993 111.815 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 33' ' ' ARG . 69.1 mt -76.2 -34.39 59.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.882 1.067 . . . . 75.109999999999999 113.882 -172.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -67.46 -44.62 78.16 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 118.921 0.782 . . . . 64.420000000000002 111.004 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.07 99.75 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 116.097 -0.501 . . . . 65.150000000000006 112.303 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.81 -35.35 77.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.17 0.988 . . . . 73.230000000000004 111.007 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -73.16 -48.45 35.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.976 0.51 . . . . 75.140000000000001 112.292 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.11 61.57 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.0 -0.546 . . . . 75.209999999999994 112.011 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -92.59 -56.59 2.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.307 0.643 . . . . 75.120000000000005 112.104 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -81.81 -41.24 21.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 113.865 1.061 . . . . 65.040000000000006 113.865 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -62.96 -23.61 67.5 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.558 1.072 . . . . 74.140000000000001 112.539 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.78 -34.36 77.66 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.624 0.77 . . . . 73.530000000000001 111.325 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -22.17 16.83 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.032 0.753 . . . . 75.329999999999998 113.032 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.9 mtm -80.62 143.6 32.99 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.727 0.775 . . . . 74.349999999999994 112.487 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -100.73 -177.7 3.55 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.506 -1.224 . . . . 73.200000000000003 110.098 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.69 -46.28 40.26 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.522 1.129 . . . . 74.319999999999993 113.163 -171.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.68 -45.73 81.75 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.997 0.919 . . . . 72.310000000000002 112.263 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.07 -38.11 75.66 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.457 -0.792 . . . . 75.549999999999997 111.698 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 HD23 ' HG ' ' A' ' 50' ' ' LEU . 45.1 mt -61.36 -46.7 89.1 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.502 0.927 . . . . 62.520000000000003 113.502 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.62 -27.91 66.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 122.039 -0.413 . . . . 74.430000000000007 111.836 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.17 -38.37 81.98 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.152 0.581 . . . . 70.409999999999997 110.316 170.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.551 ' HD1' HD12 ' A' ' 94' ' ' LEU . 38.3 t80 -62.41 -34.59 77.05 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.478 0.711 . . . . 73.099999999999994 112.47 178.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.07 -46.26 75.42 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.267 0.627 . . . . 71.120000000000005 111.592 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.6 m -55.5 -38.2 68.85 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.875 0.87 . . . . 74.310000000000002 112.601 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.12 -34.33 76.18 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.717 0.807 . . . . 73.25 111.66 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.2 mt -71.47 -23.58 61.85 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.701 0.8 . . . . 72.319999999999993 111.966 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -80.33 -12.42 59.6 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.997 0.519 . . . . 73.549999999999997 111.831 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -79.78 161.37 25.74 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.12 0.568 . . . . 74.219999999999999 111.816 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.91 123.72 20.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.286 1.034 . . . . 73.310000000000002 109.608 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HA ' HD13 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -50.18 -46.19 54.07 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 114.175 1.176 . . . . 71.5 114.175 -176.075 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -55.61 -48.49 74.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.658 0.383 . . . . 73.310000000000002 111.823 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.75 -47.49 84.46 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.421 0.688 . . . . 74.25 111.327 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 69' ' ' ASP . 78.5 mt -51.03 -43.62 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 C-N-CA 124.148 0.979 . . . . 74.430000000000007 111.148 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -71.3 -38.26 71.76 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 115.205 -0.907 . . . . 75.120000000000005 111.688 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.45 -21.41 49.14 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.814 0.672 . . . . 74.340000000000003 112.814 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -80.01 -38.67 31.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.844 0.457 . . . . 75.120000000000005 109.932 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.42 73.39 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.558 0.743 . . . . 72.040000000000006 111.512 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 p -104.61 -171.38 1.91 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.771 0.828 . . . . 74.140000000000001 110.726 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HZ3' ' HB2' ' A' ' 78' ' ' LYS . 4.9 ttmp? -111.44 92.69 4.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.332 0.653 . . . . 73.239999999999995 109.48 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -127.12 -74.45 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.681 -0.859 . . . . 73.549999999999997 108.681 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 66.58 -4.11 0.78 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.145 1.378 . . . . 74.340000000000003 114.626 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.04 -59.0 2.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.551 0.74 . . . . 74.140000000000001 109.615 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.8 p -66.38 -40.52 89.77 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.341 1.056 . . . . 71.430000000000007 111.103 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m -143.42 92.74 6.55 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.71 1.204 . . . . 72.349999999999994 109.946 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.69 161.23 46.78 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.877 2.384 . . . . 74.530000000000001 113.161 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -85.73 121.6 73.22 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 122.955 0.502 . . . . 74.109999999999999 111.106 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.509 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 13.9 Cg_exo -72.76 153.96 53.91 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 123.142 2.561 . . . . 72.329999999999998 112.465 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.26 -34.39 72.19 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.583 1.153 . . . . 75.200000000000003 112.594 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 20.7 ptmt -56.12 -36.73 68.54 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.596 1.158 . . . . 74.450000000000003 113.38 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' HB3' HD22 ' A' ' 95' ' ' LEU . 88.2 m95 -92.14 -19.62 22.09 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.955 0.502 . . . . 74.230000000000004 112.168 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.0 67.15 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.534 0.734 . . . . 63.32 112.951 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.51 -21.45 14.75 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.369 0.668 . . . . 74.310000000000002 112.371 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.6 m -64.13 126.41 27.63 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.148 0.579 . . . . 63.43 112.454 -174.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 62.0 tttm -62.99 -35.24 79.54 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.079 0.552 . . . . 74.310000000000002 110.52 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 ' HD1' ' A' ' 61' ' ' TYR . 47.4 tp -50.28 -49.71 52.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.511 1.124 . . . . 74.230000000000004 113.086 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 89' ' ' TRP . 56.7 tp -61.76 -37.53 84.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 111.031 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.68 -37.53 87.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.763 0.425 . . . . 71.310000000000002 109.958 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 20.8 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.805 0.842 . . . . 74.109999999999999 110.767 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.84 -40.88 83.69 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.316 1.046 . . . . 73.299999999999997 111.389 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.2 -28.06 67.77 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.556 1.143 . . . . 74.430000000000007 112.181 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.45 -54.65 9.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.7 0.4 . . . . 70.519999999999996 110.807 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.43 -34.43 78.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.888 0.699 . . . . 71.439999999999998 112.888 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.436 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 87.9 p -51.55 -41.27 60.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.249 0.62 . . . . 61.049999999999997 111.44 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.56 -32.43 36.64 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 115.418 -0.81 . . . . 75.439999999999998 111.354 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 104' ' ' ASN . 0.8 OUTLIER -87.72 9.72 20.63 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.19 0.996 . . . . 75.219999999999999 113.337 -176.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.598 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 10.2 mtmp? -70.96 82.83 0.67 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.254 0.549 . . . . 75.109999999999999 110.685 173.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.28 -44.89 2.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.399 0.679 . . . . 73.239999999999995 111.261 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -104.0 84.81 2.3 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.134 0.492 . . . . 74.230000000000004 111.433 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.45 74.51 6.08 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 122.142 0.972 . . . . 74.540000000000006 110.574 172.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.4 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-N 115.499 -0.773 . . . . 75.329999999999998 112.096 -173.584 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 121.058 0.456 . . . . 72.0 111.703 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.18 -27.48 6.13 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 116.558 1.383 . . . . 72.299999999999997 116.558 165.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -161.76 145.26 12.34 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.181 0.991 . . . . 74.329999999999998 112.512 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -88.79 -64.81 1.09 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.748 -0.834 . . . . 74.540000000000006 108.748 167.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -138.14 98.25 3.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.202 1.001 . . . . 72.510000000000005 108.672 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -71.77 -41.01 68.88 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.923 -0.58 . . . . 74.150000000000006 110.442 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -89.89 111.31 22.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.008 0.523 . . . . 72.319999999999993 109.831 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -157.76 130.15 7.23 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.248 0.619 . . . . 70.109999999999999 110.638 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 t 59.12 -164.86 0.2 Allowed 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.025 0.93 . . . . 73.010000000000005 111.754 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.1 t60 72.48 -9.16 1.09 Allowed 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 124.622 1.169 . . . . 75.340000000000003 113.632 168.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.7 ttt -81.89 79.55 8.4 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 123.363 0.665 . . . . 74.209999999999994 111.849 -173.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt 45.49 92.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 126.051 1.74 . . . . 65.409999999999997 114.22 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -112.78 -20.22 11.71 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.835 0.854 . . . . 72.340000000000003 111.837 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -99.31 132.92 44.3 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.707 0.803 . . . . 72.319999999999993 112.042 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 p -84.26 -35.93 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.346 0.658 . . . . 75.230000000000004 111.034 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 65.48 76.84 0.32 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.024 1.33 . . . . 54.409999999999997 110.742 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 61.33 98.69 0.04 OUTLIER Pre-proline 0 CA--C 1.561 1.393 0 C-N-CA 124.74 1.216 . . . . 73.329999999999998 112.239 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 59.0 Cg_exo -53.3 138.59 64.46 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.09 2.527 . . . . 71.530000000000001 112.664 169.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -65.58 -26.85 68.04 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.346 0.659 . . . . 74.409999999999997 110.521 177.334 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.179 0.992 . . . . 75.409999999999997 110.841 170.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 95.1 mttt -72.68 -32.24 65.65 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.141 0.576 . . . . 72.310000000000002 112.49 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -62.4 -52.04 65.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 120.949 0.404 . . . . 65.239999999999995 110.193 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -60.94 -41.28 95.96 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.435 -0.802 . . . . 74.430000000000007 110.916 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.92 78.15 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.269 0.628 . . . . 71.129999999999995 111.337 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 25.1 ttm180 -67.48 -40.58 85.26 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.614 0.766 . . . . 74.430000000000007 111.827 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.43 -45.75 68.41 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.916 0.389 . . . . 75.340000000000003 111.087 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' A' ' 46' ' ' ALA . 73.6 mt -60.76 -34.23 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.719 1.207 . . . . 75.319999999999993 111.254 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.11 -54.21 41.44 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.133 0.973 . . . . 72.129999999999995 111.248 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.583 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.0 mt-30 -68.48 -22.18 64.57 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 63.439999999999998 112.61 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.726 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.2 p -80.0 -27.5 39.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.973 0.509 . . . . 64.299999999999997 111.692 175.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.35 -16.27 37.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.97 0.508 . . . . 72.409999999999997 111.525 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -87.63 107.82 18.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.903 -1.147 . . . . 72.340000000000003 107.903 166.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' HD13 ' A' ' 42' ' ' LEU . 5.7 mmp_? -145.12 169.99 17.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.606 1.162 . . . . 71.219999999999999 109.022 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.42 -57.84 4.89 Favored Glycine 0 CA--C 1.541 1.688 0 CA-C-N 116.492 -0.322 . . . . 44.43 112.445 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 37' ' ' GLU . 32.8 pt -99.19 148.02 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.512 0.725 . . . . 70.439999999999998 112.385 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.4 mm? -74.03 -15.95 61.07 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.646 -0.706 . . . . 75.239999999999995 112.245 174.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' A' ' 35' ' ' ILE . 41.4 mt-10 -62.7 -48.75 77.92 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.214 0.531 . . . . 73.310000000000002 111.144 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.4 m -72.02 -34.3 68.71 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.339 0.656 . . . . 74.030000000000001 111.134 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 19.1 t70 -55.27 -55.28 33.2 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 123.229 0.611 . . . . 74.120000000000005 111.289 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.55 -39.39 73.34 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 123.847 0.859 . . . . 73.409999999999997 112.406 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.88 -57.03 13.36 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.652 -0.704 . . . . 72.099999999999994 111.51 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.726 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 77.2 mt -73.97 -25.46 59.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.95 0.9 . . . . 74.109999999999999 112.914 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -63.16 -49.96 72.28 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.622 0.769 . . . . 72.129999999999995 111.273 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.92 88.32 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 115.99 -0.55 . . . . 71.299999999999997 112.933 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.97 -44.32 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.842 0.857 . . . . 75.519999999999996 111.652 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB3' HG12 ' A' ' 27' ' ' ILE . . . -70.4 -44.71 67.41 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.079 0.551 . . . . 72.319999999999993 112.385 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -29.27 70.22 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.802 -0.636 . . . . 65.0 112.35 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -89.79 -55.39 3.65 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.562 0.745 . . . . 74.200000000000003 111.85 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.528 ' HH ' ' HB2' ' A' ' 101' ' ' PHE . 19.3 m-85 -74.28 -45.45 47.59 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.486 0.921 . . . . 75.209999999999994 113.486 -169.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD21 HG13 ' A' ' 27' ' ' ILE . 10.0 mp -61.87 -26.53 68.2 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.616 0.969 . . . . 73.200000000000003 113.616 -174.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.28 -43.73 85.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.795 0.438 . . . . 73.200000000000003 111.295 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -89.86 -18.6 25.89 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.137 0.575 . . . . 74.409999999999997 112.49 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.2 mtm -83.57 137.0 34.04 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.269 0.557 . . . . 71.530000000000001 111.54 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 m-20 -80.16 166.94 20.96 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.031 -0.986 . . . . 73.430000000000007 110.423 173.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.7 mp0 -56.94 -31.06 64.59 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.648 1.179 . . . . 74.209999999999994 112.173 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.34 -36.52 84.28 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.192 0.997 . . . . 74.329999999999998 110.918 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.04 -40.31 24.42 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.435 1.094 . . . . 72.340000000000003 112.189 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 54' ' ' ASN . 84.8 mt -56.08 -37.16 68.96 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 124.658 1.183 . . . . 72.510000000000005 114.05 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.71 -28.45 68.44 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.877 0.471 . . . . 62.020000000000003 112.061 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.79 -34.68 69.6 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.799 0.44 . . . . 75.25 110.47 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.96 -35.12 80.15 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.725 0.41 . . . . 73.409999999999997 111.553 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -32.74 70.78 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 123.79 0.836 . . . . 71.319999999999993 111.581 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -65.42 -36.6 84.42 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.493 0.717 . . . . 71.030000000000001 111.722 175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -69.35 -29.7 67.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.679 0.792 . . . . 74.540000000000006 112.005 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 29' ' ' GLN . 61.1 mt -66.88 -24.52 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.568 0.747 . . . . 74.340000000000003 112.108 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -77.22 -17.32 58.56 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.32 1.048 . . . . 74.430000000000007 111.987 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.58 157.99 23.26 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.373 0.669 . . . . 74.409999999999997 111.621 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.42 135.41 56.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.61 0.764 . . . . 73.239999999999995 109.697 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.97 -55.08 7.28 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.661 1.185 . . . . 73.530000000000001 111.975 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -54.4 -46.94 73.24 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.354 -0.839 . . . . 74.540000000000006 112.026 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -60.96 -47.86 84.46 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.381 0.672 . . . . 52.210000000000001 112.158 -179.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.427 HG23 HD11 ' A' ' 42' ' ' LEU . 77.6 mt -52.53 -46.94 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.537 0.735 . . . . 74.430000000000007 110.752 175.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.11 -39.58 82.74 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 115.026 -0.988 . . . . 73.219999999999999 111.823 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -76.4 -41.91 46.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.614 0.598 . . . . 73.239999999999995 112.614 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 71' ' ' ASP . 22.9 m0 -62.59 -37.33 85.81 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.144 0.497 . . . . 74.209999999999994 110.294 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' HB1' ' OG ' ' A' ' 102' ' ' SER . . . -63.67 -47.28 81.87 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.301 1.041 . . . . 71.019999999999996 112.326 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -81.64 0.4 38.73 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.52 0.728 . . . . 73.409999999999997 112.013 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 74.39 12.64 3.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.418 1.487 . . . . 75.420000000000002 112.431 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.33 86.68 7.34 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.869 0.868 . . . . 65.150000000000006 110.379 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -88.91 4.68 47.11 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.472 0.709 . . . . 74.340000000000003 112.896 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -64.02 -60.08 3.68 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.222 0.609 . . . . 72.230000000000004 111.793 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -80.78 -38.14 29.04 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.863 0.865 . . . . 74.219999999999999 111.868 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 m -114.92 96.5 44.97 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 123.8 0.84 . . . . 73.150000000000006 110.185 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.97 149.91 66.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.907 2.405 . . . . 54.520000000000003 112.28 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.9 tp -83.12 123.64 77.2 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.221 0.609 . . . . 74.099999999999994 111.78 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' HD1' ' A' ' 89' ' ' TRP . 24.4 Cg_exo -67.55 157.5 61.47 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.535 2.823 . . . . 74.530000000000001 112.825 169.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.82 -36.1 82.06 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.118 0.967 . . . . 74.209999999999994 112.784 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -60.12 -27.28 66.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.572 0.749 . . . . 72.409999999999997 112.74 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.403 ' HD1' ' HD2' ' A' ' 86' ' ' PRO . 49.0 m95 -96.06 -14.44 22.92 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.714 0.406 . . . . 74.010000000000005 112.072 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.82 102.85 0.13 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.824 0.45 . . . . 73.420000000000002 110.952 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 68.61 17.5 8.95 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.014 1.326 . . . . 75.450000000000003 113.233 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -66.71 137.66 56.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.215 0.606 . . . . 63.229999999999997 110.932 173.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -55.27 -49.81 71.12 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.068 0.547 . . . . 75.120000000000005 111.231 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -56.82 -42.4 79.54 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.488 0.715 . . . . 72.140000000000001 112.284 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 75' ' ' TRP . 31.7 tp -63.68 -43.58 96.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.267 -0.424 . . . . 73.019999999999996 111.246 178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -59.89 -46.14 90.29 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.231 0.612 . . . . 71.299999999999997 110.871 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.99 -37.79 83.71 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.148 0.979 . . . . 71.409999999999997 111.602 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.8 tp -68.98 -42.33 76.7 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.784 0.833 . . . . 73.420000000000002 111.248 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -65.93 -43.57 87.7 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.606 0.762 . . . . 74.409999999999997 111.584 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.26 -37.56 87.72 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.167 0.587 . . . . 74.140000000000001 110.992 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HB2' ' HH ' ' A' ' 49' ' ' TYR . 26.8 t80 -70.73 -42.94 69.87 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 111.741 0.274 . . . . 75.540000000000006 111.741 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.451 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 60.6 m -62.44 -38.0 88.05 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.152 0.797 . . . . 73.5 113.152 -174.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' HG3' ' ND2' ' A' ' 104' ' ' ASN . 11.0 pt-20 -81.63 -27.97 33.9 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.175 0.435 . . . . 74.549999999999997 112.175 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.442 ' ND2' ' HG3' ' A' ' 103' ' ' GLU . 65.8 m-80 -109.19 37.87 2.46 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 123.403 0.681 . . . . 73.519999999999996 111.609 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -66.14 -62.09 1.67 Allowed 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 124.19 0.996 . . . . 74.219999999999999 112.474 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -122.9 23.57 9.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.8 0.84 . . . . 75.230000000000004 112.061 -167.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -69.89 -8.67 50.57 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.071 0.767 . . . . 71.420000000000002 113.071 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.65 153.39 42.88 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.699 0.799 . . . . 72.030000000000001 111.478 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.599 0.76 . . . . 74.540000000000006 110.52 175.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 111.74 0.274 . . . . 74.54 111.74 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.68 -31.65 71.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.674 0.39 . . . . 61.21 111.968 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.45 -39.43 77.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.309 0.244 . . . . 61.35 111.038 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HA ' HD23 ' A' ' 50' ' ' LEU . 54.2 mtt-85 -60.44 -46.19 90.95 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.801 0.441 . . . . 74.14 109.877 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.212 0.605 . . . . 71.12 111.788 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -65.35 -50.0 67.24 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.145 0.978 . . . . 72.2 112.108 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.93 -39.09 79.82 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.06 0.544 . . . . 63.53 111.595 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.712 HG13 HD22 ' A' ' 50' ' ' LEU . 93.9 mt -65.17 -36.13 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 123.779 0.832 . . . . 72.22 110.907 172.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.34 -48.03 77.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.419 0.688 . . . . 75.44 111.925 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -70.4 -25.02 63.04 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.391 0.677 . . . . 55.15 111.164 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -68.82 -32.24 71.8 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.067 0.947 . . . . 64.31 111.543 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.58 4.09 54.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.95 0.9 . . . . 73.15 111.808 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -98.9 111.32 23.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 107.689 -1.226 . . . . 71.42 107.689 161.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.63 152.33 37.7 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.886 0.875 . . . . 74.32 111.187 -167.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.0 -35.91 37.41 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-N 115.796 -0.638 . . . . 65.13 113.539 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' A' ' 69' ' ' ASP . 41.6 pt -124.38 151.78 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-N 117.319 0.56 . . . . 75.34 112.007 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.2 mm? -72.56 -25.26 61.29 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.021 0.928 . . . . 70.22 112.345 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.17 -51.35 66.77 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.044 0.45 . . . . 44.22 111.766 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.456 ' H ' HG13 ' A' ' 35' ' ' ILE . 30.7 m -72.83 -29.64 63.39 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.275 0.63 . . . . 54.53 111.254 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t70 -59.31 -54.68 44.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.012 0.525 . . . . 73.43 111.852 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.78 -38.32 90.18 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.582 0.753 . . . . 34.24 111.707 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.88 -59.68 5.03 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.81 0.844 . . . . 73.24 111.669 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' ARG . 66.5 mt -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.958 0.725 . . . . 64.32 112.958 -176.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -48.14 75.86 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.622 0.647 . . . . 74.04 111.525 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.43 -40.17 79.69 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.57 -0.741 . . . . 52.54 112.745 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -62.34 -48.29 80.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.813 0.845 . . . . 53.34 111.643 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -66.1 -48.5 70.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.329 0.652 . . . . 44.11 112.095 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.19 67.09 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.72 -0.673 . . . . 65.32 112.38 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -91.07 -54.99 3.71 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.014 0.926 . . . . 75.22 112.499 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.03 -36.35 35.89 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.289 1.036 . . . . 74.11 113.104 -168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HG ' HD22 ' A' ' 58' ' ' LEU . 8.5 mp -64.42 -22.38 66.94 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 118.628 0.649 . . . . 71.01 112.733 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -66.55 -43.94 83.7 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.764 0.425 . . . . 74.11 111.443 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -88.68 -24.1 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.997 0.74 . . . . 73.43 112.997 -175.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 63.0 mtm -82.59 143.55 30.95 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.053 0.761 . . . . 72.13 113.053 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -77.25 163.98 26.01 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.493 1.117 . . . . 73.4 109.893 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 43.8 tt0 -55.52 -35.12 65.29 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 112.456 0.539 . . . . 74.52 112.456 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.99 -48.76 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.731 0.812 . . . . 72.45 111.361 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 27.5 mm-40 -65.31 -37.89 88.51 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.695 0.798 . . . . 63.32 111.725 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 50' ' ' LEU . 24.2 mt -62.53 -29.01 70.25 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.705 0.802 . . . . 72.32 112.539 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 6.7 mm-40 -77.25 -31.76 55.25 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.444 0.697 . . . . 64.35 111.618 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.73 -35.9 81.19 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.174 0.511 . . . . 74.41 109.723 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -69.95 -34.17 73.07 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.843 -0.617 . . . . 74.02 111.425 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.61 -43.56 97.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.361 0.664 . . . . 42.44 109.721 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -58.57 -29.92 66.78 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.602 0.761 . . . . 71.1 112.46 173.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.16 -33.97 61.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.678 0.791 . . . . 50.55 111.581 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.94 -24.55 64.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.05 0.54 . . . . 75.32 112.201 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -74.2 -15.18 61.01 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.395 0.678 . . . . 74.15 112.376 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.7 160.56 18.81 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.168 0.587 . . . . 73.15 111.378 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.14 144.97 30.38 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 75.41 111.75 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.3 m-20 -40.52 -65.46 0.41 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.18 1.392 . . . . 74.45 114.289 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -62.99 -35.78 81.33 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.416 0.447 . . . . 65.43 112.202 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.05 -49.14 75.73 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.136 0.273 . . . . 52.03 110.78 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.06 -45.05 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.99 0.916 . . . . 72.21 111.121 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.38 -40.28 93.29 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.351 -0.841 . . . . 63.24 111.646 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.09 -40.56 71.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.954 0.502 . . . . 72.13 111.702 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HB3' HD11 ' A' ' 95' ' ' LEU . 20.2 m0 -65.39 -35.99 82.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.8 0.333 . . . . 73.1 111.262 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.28 75.72 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.789 0.836 . . . . 74.04 112.416 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.8 p -85.3 -1.27 56.79 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.46 0.704 . . . . 74.45 112.18 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 69.82 19.04 7.26 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 125.07 1.348 . . . . 75.11 112.449 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -82.43 66.62 8.12 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 121.896 0.855 . . . . 72.4 109.949 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -76.22 -9.33 58.55 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.851 . . . . 64.51 111.975 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.09 -50.88 71.47 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.994 0.918 . . . . 51.51 111.093 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 m -76.37 -55.38 5.6 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.344 -0.389 . . . . 63.43 110.638 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -112.0 103.06 54.97 Favored Pre-proline 0 N--CA 1.487 1.388 0 C-N-CA 123.401 0.681 . . . . 72.12 110.538 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.56 148.05 83.49 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 122.982 2.454 . . . . 63.43 112.714 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.1 tp -81.25 118.45 72.35 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-O 119.297 -0.382 . . . . 75.24 111.739 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -72.1 165.22 33.27 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.345 2.697 . . . . 74.53 113.14 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.97 -46.03 85.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.106 0.962 . . . . 72.52 112.354 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -55.24 -24.24 26.77 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.359 0.874 . . . . 75.42 113.359 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -106.23 -23.3 12.61 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.562 0.579 . . . . 74.12 112.562 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.26 73.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.962 0.905 . . . . 63.35 112.73 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -111.4 11.8 21.52 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.132 0.573 . . . . 75.42 112.231 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -88.06 132.84 34.14 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.839 0.456 . . . . 71.31 111.923 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.07 -38.31 75.71 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 116.144 -0.48 . . . . 73.54 111.283 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.55 -43.31 75.71 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.823 0.849 . . . . 72.5 112.346 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 75' ' ' TRP . 16.0 tp -56.23 -48.64 76.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.37 0.605 . . . . 72.33 111.268 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.85 -32.32 73.51 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.085 -0.962 . . . . 72.42 111.166 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.82 -39.69 94.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.559 0.743 . . . . 74.52 110.724 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.9 tp -68.62 -37.19 79.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.11 0.964 . . . . 65.34 111.351 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.22 -45.99 68.47 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.263 0.625 . . . . 61.43 111.301 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.56 -23.97 66.29 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.812 0.845 . . . . 70.14 111.802 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -73.89 -47.8 35.49 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.885 0.474 . . . . 74.41 110.39 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.5 m -56.05 -37.98 70.0 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.941 0.896 . . . . 75.5 113.259 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.04 -33.07 73.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.851 0.46 . . . . 53.3 111.698 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 . . . . . 0 CA--C 1.554 1.107 0 C-N-CA 123.011 0.524 . . . . 72.12 111.582 179.206 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 CA--C 1.554 1.129 0 N-CA-C 112.487 0.551 . . . . 72.25 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -68.23 -32.37 72.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.604 0.638 . . . . 74.4 111.494 168.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.9 tttp -64.75 -54.63 28.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.722 -0.844 . . . . 62.11 108.722 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 27' ' ' ILE . 38.6 ttm180 -53.28 -54.41 36.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.854 1.261 . . . . 71.35 112.169 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.17 79.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.45 0.7 . . . . 72.33 112.396 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -72.41 -32.34 66.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.685 0.794 . . . . 70.51 111.829 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 83.4 mt -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 54.22 110.359 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 23' ' ' ARG . 39.5 mt -62.59 -31.11 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 C-N-CA 123.891 0.876 . . . . 71.22 111.441 175.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.83 -51.28 50.27 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.79 0.836 . . . . 74.52 111.502 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.596 ' HB2' HD13 ' A' ' 65' ' ' LEU . 43.0 mt-30 -74.35 -13.19 60.71 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.206 0.603 . . . . 61.42 112.347 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.76 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 85.3 p -88.86 -38.57 14.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.292 0.637 . . . . 44.3 111.217 174.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -77.81 -9.39 59.01 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.257 0.551 . . . . 73.41 110.146 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 111.68 23.84 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.55 -0.907 . . . . 74.23 108.55 163.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.49 168.56 20.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.734 1.214 . . . . 74.54 109.561 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.77 -59.03 7.48 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.561 -0.29 . . . . 62.21 113.056 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -96.13 154.24 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.123 0.569 . . . . 73.3 112.467 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 29.7 tp -72.26 -22.95 61.15 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.415 -0.811 . . . . 73.13 111.552 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HB2' HD12 ' A' ' 35' ' ' ILE . 2.1 mp0 -63.02 -52.17 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.436 0.694 . . . . 51.1 110.974 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.472 ' H ' HG13 ' A' ' 35' ' ' ILE . 20.1 m -73.52 -30.13 62.9 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.477 0.711 . . . . 65.11 111.334 175.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 18.8 t70 -54.66 -58.91 5.67 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.999 0.52 . . . . 75.02 111.563 174.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.8 mt -55.79 -35.66 66.54 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.658 0.783 . . . . 75.3 111.746 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.9 -60.41 2.89 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.063 0.945 . . . . 75.51 111.876 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.76 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 58.6 mt -76.1 -31.89 58.93 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.047 1.128 . . . . 35.44 114.047 -173.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.3 p -62.15 -48.67 79.06 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.135 0.425 . . . . 54.14 110.921 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.19 -44.82 85.58 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.446 -0.797 . . . . 32.42 113.048 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.17 -43.08 82.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.015 0.926 . . . . 73.43 111.762 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.35 -47.09 65.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.128 -0.942 . . . . 61.23 111.866 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -31.78 73.05 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.004 -0.543 . . . . 72.42 112.066 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.31 -55.87 3.35 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.942 0.897 . . . . 75.44 112.403 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.63 -26.87 45.32 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.636 0.976 . . . . 75.12 113.636 -171.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -66.54 -22.44 66.16 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 118.47 0.577 . . . . 72.43 112.097 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.72 -41.96 99.42 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.074 0.55 . . . . 73.14 111.309 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -22.26 25.24 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.672 0.619 . . . . 60.21 112.672 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.5 mtm -81.35 138.54 35.64 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.473 0.654 . . . . 62.14 112.059 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.62 175.04 6.53 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.316 1.446 . . . . 74.22 109.846 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.87 -47.4 31.79 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.153 1.381 . . . . 54.34 113.786 -169.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -71.95 -37.6 69.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.694 0.798 . . . . 75.53 111.268 -173.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -64.91 -41.34 95.64 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.865 0.866 . . . . 74.52 111.634 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HG ' ' A' ' 50' ' ' LEU . 66.4 mt -58.59 -29.08 66.16 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.047 0.939 . . . . 72.42 113.081 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -69.21 -39.01 78.86 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.023 0.529 . . . . 74.21 111.852 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.13 -34.22 77.55 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.969 0.507 . . . . 62.23 110.318 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HD1' HD11 ' A' ' 94' ' ' LEU . 35.5 t80 -67.46 -39.94 85.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.914 175.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.08 -34.59 72.15 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.311 0.645 . . . . 62.43 110.868 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 m -62.96 -37.88 88.88 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.89 0.876 . . . . 73.0 112.366 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.18 -30.92 71.01 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 123.384 0.674 . . . . 63.23 112.017 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 29' ' ' GLN . 51.5 mt -68.15 -21.29 64.92 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.386 0.674 . . . . 63.21 112.316 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -82.25 -6.63 59.36 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.111 0.564 . . . . 63.35 111.98 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.2 163.96 16.62 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.976 0.511 . . . . 64.32 110.458 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.32 137.52 35.75 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.647 0.379 . . . . 63.23 111.088 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.64 -52.2 18.83 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.809 1.04 . . . . 72.21 113.809 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -56.49 -44.38 80.62 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.296 0.48 . . . . 74.52 112.296 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.26 -51.18 68.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.501 0.32 . . . . 71.22 111.099 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 42' ' ' LEU . 81.2 mt -51.81 -38.16 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.08 0.952 . . . . 71.14 111.329 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -68.99 -47.04 66.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.831 -0.622 . . . . 64.31 111.574 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.72 -20.17 59.94 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.346 0.498 . . . . 73.44 112.346 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -77.33 -44.47 29.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.899 0.48 . . . . 74.03 110.629 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.69 -69.66 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.337 0.655 . . . . 60.14 111.163 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 p -75.5 111.31 10.67 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.574 -0.898 . . . . 73.15 108.574 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 84.69 0.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.963 0.905 . . . . 73.11 112.502 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -110.71 -59.3 1.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.857 -1.065 . . . . 71.34 109.609 171.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 54.83 20.27 2.98 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 124.417 1.087 . . . . 63.25 113.444 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -82.09 5.26 20.08 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.415 1.086 . . . . 65.11 113.287 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 t -162.83 -32.34 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.241 1.016 . . . . 71.3 110.576 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.0 m -109.94 98.17 32.94 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 123.647 0.779 . . . . 64.15 110.734 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.78 157.45 55.26 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.318 2.012 . . . . 74.33 112.141 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.9 tp -85.39 121.84 73.65 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 122.895 0.478 . . . . 72.42 111.48 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.676 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.2 Cg_exo -76.94 160.51 33.69 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.759 2.306 . . . . 73.13 112.226 173.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.57 -33.31 73.64 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.332 1.053 . . . . 70.33 111.945 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.4 ptmt -58.97 -23.03 61.33 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.481 1.112 . . . . 75.32 113.305 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -115.67 -16.47 11.27 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.627 0.603 . . . . 73.34 112.627 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.66 88.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.053 0.541 . . . . 72.05 111.225 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -99.0 10.11 42.17 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.767 0.827 . . . . 65.35 112.462 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -98.33 126.19 43.74 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.969 0.508 . . . . 61.52 111.286 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -70.2 -27.49 64.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.656 0.383 . . . . 64.33 110.935 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.424 HD11 ' HD1' ' A' ' 61' ' ' TYR . 50.5 tp -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.591 0.757 . . . . 75.43 112.286 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.38 -45.92 92.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.566 -0.743 . . . . 75.02 111.268 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.77 -28.47 67.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.445 0.698 . . . . 74.41 111.416 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -67.48 -36.06 80.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.116 0.966 . . . . 72.55 110.874 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.7 -33.88 60.36 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.858 0.863 . . . . 74.31 111.362 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.19 -45.85 68.92 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.908 0.883 . . . . 74.24 111.24 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.08 -36.8 80.4 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.696 0.399 . . . . 71.5 110.716 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.99 -37.52 86.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.333 0.253 . . . . 73.14 111.257 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.1 t -55.23 -28.77 55.54 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.893 0.477 . . . . 75.13 111.699 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.67 -43.28 23.04 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 123.873 0.869 . . . . 64.3 110.968 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 114.688 1.366 . . . . 64.43 114.688 -166.545 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.559 1.321 0 CA-C-O 120.925 0.393 . . . . 72.52 111.475 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.29 -29.16 62.53 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.822 0.449 . . . . 72.5 111.635 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.21 -46.74 87.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.776 0.43 . . . . 61.24 110.563 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -56.36 -39.46 72.92 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.076 0.95 . . . . 73.23 110.808 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.97 92.84 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.472 0.709 . . . . 61.32 111.832 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -63.48 -33.7 76.15 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.961 0.904 . . . . 72.53 112.244 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.83 -49.08 21.88 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 122.706 0.402 . . . . 71.51 111.14 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 46' ' ' ALA . 75.8 mt -57.62 -33.11 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 C-N-CA 123.335 0.654 . . . . 70.1 111.238 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.37 -50.17 70.97 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.704 0.802 . . . . 63.25 111.492 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' HB2' HD13 ' A' ' 65' ' ' LEU . 54.3 mt-30 -81.58 -8.76 59.76 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.374 0.67 . . . . 71.34 112.636 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 71.0 p -84.31 -46.02 12.21 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.017 0.527 . . . . 74.25 110.773 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.61 2.87 20.82 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.501 -0.772 . . . . 54.41 111.583 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -114.93 112.03 22.08 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.464 -0.569 . . . . 73.15 109.464 163.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 42' ' ' LEU . 6.3 mmp_? -136.96 166.27 24.05 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.849 1.26 . . . . 72.23 109.672 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.26 -40.23 94.68 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 116.41 -0.359 . . . . 61.12 113.367 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.422 HG13 ' H ' ' A' ' 38' ' ' THR . 31.2 pt -108.73 149.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 122.807 0.443 . . . . 72.13 110.858 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.83 -22.11 59.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.81 0.844 . . . . 71.3 112.807 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.86 -52.3 51.46 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 120.905 0.383 . . . . 75.13 111.47 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.422 ' H ' HG13 ' A' ' 35' ' ' ILE . 28.7 m -72.84 -29.56 63.31 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.299 0.64 . . . . 62.14 111.394 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.42 -55.0 33.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.887 0.875 . . . . 74.33 111.127 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.92 -33.29 70.38 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.893 0.877 . . . . 71.41 112.05 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.5 -56.6 19.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.284 0.633 . . . . 75.24 111.341 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 33' ' ' ARG . 71.2 mt -74.25 -24.36 59.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.618 0.767 . . . . 71.03 112.399 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -62.61 -55.06 30.64 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.606 0.362 . . . . 55.22 110.987 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.43 95.46 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-N 116.035 -0.529 . . . . 42.0 113.116 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.42 -43.37 98.98 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.879 0.872 . . . . 74.24 111.222 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.91 -36.68 72.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.762 0.425 . . . . 61.33 112.101 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.87 86.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.634 -0.712 . . . . 73.32 112.057 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -86.38 -56.09 3.6 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.087 0.555 . . . . 72.42 111.705 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -74.97 -54.18 7.66 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 118.098 -0.953 . . . . 73.31 113.176 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.0 mp -54.39 -30.44 52.08 Favored 'General case' 0 N--CA 1.506 2.333 0 CA-C-N 119.115 0.87 . . . . 73.11 113.138 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.43 -29.68 70.68 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.704 0.801 . . . . 72.25 112.229 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -122.26 -3.84 8.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.876 0.87 . . . . 63.35 112.923 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.598 ' SD ' HD23 ' A' ' 58' ' ' LEU . 41.9 ttm -72.57 150.35 43.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.024 0.93 . . . . 61.42 111.492 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -77.67 151.41 34.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.28 0.632 . . . . 51.44 111.004 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.3 -40.28 74.07 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.584 1.154 . . . . 71.51 111.545 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.33 -35.27 75.25 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.48 1.112 . . . . 72.03 113.129 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 53' ' ' MET . 41.5 mt-10 -78.45 -32.91 48.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.288 0.635 . . . . 73.23 112.102 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD23 ' SD ' ' A' ' 53' ' ' MET . 81.0 mt -60.11 -35.99 76.45 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.713 1.005 . . . . 63.35 113.713 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.595 0.358 . . . . 72.34 111.699 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.73 -33.64 66.53 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.994 0.518 . . . . 75.01 110.098 172.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' HD1' HD11 ' A' ' 94' ' ' LEU . 45.5 t80 -66.81 -37.36 84.37 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.215 0.606 . . . . 75.14 111.996 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.85 -45.94 74.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.323 0.649 . . . . 74.32 110.301 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 m -59.29 -36.31 75.34 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.947 0.899 . . . . 54.44 112.258 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.23 -34.25 77.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.343 0.657 . . . . 65.55 111.874 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 29' ' ' GLN . 70.9 mt -71.52 -18.76 62.26 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.017 0.527 . . . . 64.02 111.922 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -84.23 -7.97 59.18 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.476 0.711 . . . . 51.35 112.153 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.12 167.5 16.71 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.293 0.568 . . . . 72.52 111.688 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 133.73 38.45 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.431 -0.804 . . . . 73.34 110.859 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -49.64 -54.39 18.76 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.177 1.391 . . . . 61.31 112.985 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -54.37 -47.11 73.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.377 0.671 . . . . 74.3 112.292 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.32 -45.68 93.41 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.212 0.605 . . . . 72.13 111.464 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 42' ' ' LEU . 70.2 mt -53.38 -46.64 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 124.019 0.928 . . . . 65.01 111.039 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.22 -45.25 94.21 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.627 -1.17 . . . . 74.11 111.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -70.15 -40.14 74.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.95 0.722 . . . . 75.43 112.95 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.486 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.4 m0 -64.14 -38.24 90.34 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.125 0.488 . . . . 74.12 110.852 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.61 13.22 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.973 -1.012 . . . . 72.41 111.824 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 p -83.81 6.48 21.2 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.006 0.922 . . . . 73.42 112.655 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 67.56 20.06 9.77 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.762 1.225 . . . . 75.35 113.134 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.87 60.81 5.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.637 0.775 . . . . 73.23 111.038 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 72.3 m-85 -74.94 0.97 13.96 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.512 0.725 . . . . 43.31 112.53 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -26.35 14.74 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.569 1.548 . . . . 73.23 113.811 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -128.69 -35.74 1.89 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.335 0.654 . . . . 74.31 111.972 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 m -116.14 100.74 53.75 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 123.003 0.521 . . . . 72.44 110.259 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.21 160.5 48.81 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.755 2.303 . . . . 73.42 112.829 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 33.8 tp -81.55 123.11 81.12 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 122.813 0.445 . . . . 71.24 111.164 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.9 Cg_exo -78.45 165.57 25.13 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.993 2.462 . . . . 62.43 112.988 175.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.78 -31.92 73.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.22 1.008 . . . . 74.23 112.067 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.7 ptmt -62.62 -29.08 70.35 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.033 0.933 . . . . 54.41 112.862 178.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -103.14 -16.77 15.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 112.576 0.584 . . . . 74.1 112.576 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.16 -31.53 65.49 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.547 0.739 . . . . 71.33 112.442 175.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -99.44 -5.63 29.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.805 0.842 . . . . 63.41 112.627 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -83.18 133.8 35.01 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.285 0.846 . . . . 74.42 113.285 -170.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -69.97 -41.54 74.32 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.107 0.963 . . . . 74.25 111.031 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 26.9 tp -51.9 -44.27 63.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.98 1.312 . . . . 63.41 112.777 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 75' ' ' TRP . 44.6 tp -53.62 -48.24 69.51 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.782 -0.645 . . . . 74.42 110.743 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 55.6 mttp -64.26 -37.3 87.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.223 -0.899 . . . . 73.53 111.308 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.0 -44.26 94.66 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.895 0.878 . . . . 74.23 110.982 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.29 -33.35 65.15 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.006 0.922 . . . . 72.51 111.752 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.32 -39.79 85.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.599 0.76 . . . . 70.42 111.314 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 19.1 mm-40 -67.46 -37.03 82.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.889 0.476 . . . . 62.31 111.715 175.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.02 -56.16 6.76 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.663 -0.244 . . . . 74.11 111.523 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.3 p -58.87 -45.4 90.26 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.16 0.984 . . . . 74.02 113.202 -169.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.97 -25.68 60.06 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.472 -0.785 . . . . 72.33 112.043 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 113.912 1.079 . . . . 71.11 113.912 -173.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 112.162 0.43 . . . . 63.32 112.162 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -70.16 -37.74 75.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 122.401 0.28 . . . . 65.22 111.662 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -60.94 -48.17 83.07 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 123.276 0.36 . . . . 65.01 110.179 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 50' ' ' LEU . 89.9 mtt180 -56.38 -55.05 38.3 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 115.409 -0.814 . . . . 70.41 111.303 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.45 70.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.391 0.676 . . . . 73.45 112.256 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.61 -39.88 84.72 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.552 1.141 . . . . 65.15 112.537 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.3 mt -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.577 0.351 . . . . 75.31 111.325 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.66 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.5 mt -59.02 -34.4 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 C-N-CA 123.776 0.83 . . . . 71.31 110.248 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.58 -39.66 80.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.724 0.809 . . . . 74.05 111.616 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.636 ' HB2' HD13 ' A' ' 65' ' ' LEU . 55.6 mt-30 -78.69 -10.11 59.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.153 0.581 . . . . 63.13 112.368 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -88.55 -32.36 18.2 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.13 0.572 . . . . 64.41 110.438 168.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -76.19 -9.94 59.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.906 0.882 . . . . 64.41 111.067 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -98.84 116.04 30.18 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.167 -1.049 . . . . 74.22 108.167 160.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -151.27 173.41 14.49 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.642 0.377 . . . . 74.1 110.225 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -63.01 2.14 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 112.057 -0.417 . . . . 70.23 112.057 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 37' ' ' GLU . 39.9 pt -99.28 153.4 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.106 0.562 . . . . 74.31 112.099 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.92 -24.67 59.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.724 0.809 . . . . 74.42 112.496 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 35' ' ' ILE . 27.6 mm-40 -59.36 -53.27 60.09 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.722 0.409 . . . . 75.15 112.071 176.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.413 ' H ' HG13 ' A' ' 35' ' ' ILE . 15.6 m -73.82 -30.13 62.54 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.882 0.473 . . . . 71.24 111.622 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.78 -55.87 25.44 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.258 0.623 . . . . 73.5 110.993 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.81 -30.58 67.07 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.564 0.745 . . . . 52.1 112.109 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.94 -52.05 66.68 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.196 0.598 . . . . 62.24 110.805 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.77 -35.33 62.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 72.54 112.329 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -73.18 -35.95 66.49 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 123.105 0.562 . . . . 45.42 112.492 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.71 -41.01 85.09 Favored Glycine 0 N--CA 1.478 1.447 0 CA-C-O 121.428 0.46 . . . . 63.02 112.01 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.33 -34.77 75.8 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.332 1.053 . . . . 73.33 110.505 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.86 -38.76 64.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.465 -0.788 . . . . 75.42 112.551 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.76 81.6 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 122.997 0.519 . . . . 54.41 112.147 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -88.61 -55.35 3.75 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.469 0.708 . . . . 60.12 112.858 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.52 -49.73 10.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.176 0.806 . . . . 70.35 113.176 -169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.7 mp -49.96 -41.63 47.07 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.329 0.863 . . . . 61.35 113.329 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.18 -21.63 66.34 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 114.939 -1.028 . . . . 72.13 112.381 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -112.27 -18.69 12.46 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.985 0.914 . . . . 75.03 111.977 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 mtm -76.39 150.74 36.75 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.492 0.663 . . . . 63.42 111.835 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 m-80 -87.35 163.98 16.5 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.133 -0.94 . . . . 63.42 110.918 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -51.21 -40.84 59.61 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.779 1.232 . . . . 74.32 112.011 -175.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.02 -42.02 97.66 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.508 1.123 . . . . 74.13 113.035 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.73 -43.79 68.18 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.65 0.78 . . . . 72.41 110.631 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD22 ' HG ' ' A' ' 50' ' ' LEU . 28.9 mt -55.68 -31.56 62.51 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.581 -1.19 . . . . 65.21 113.388 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.11 -42.15 94.25 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.132 0.573 . . . . 74.34 112.037 173.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.57 -34.35 75.66 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 116.43 -0.35 . . . . 73.52 110.333 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.8 t80 -64.22 -37.33 87.08 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.893 0.477 . . . . 72.42 111.317 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.08 -40.93 91.24 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.472 0.709 . . . . 72.14 110.673 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.3 m -64.48 -34.06 77.33 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.382 0.673 . . . . 60.25 111.903 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 98' ' ' LEU . 38.9 tp -69.53 -36.28 76.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.969 0.508 . . . . 65.34 111.055 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.0 mt -65.34 -35.77 81.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.613 0.765 . . . . 72.03 110.747 172.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.67 -21.57 66.1 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.828 1.251 . . . . 73.35 111.945 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -76.64 157.36 31.92 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.904 0.383 . . . . 64.42 111.527 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.0 125.36 28.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.532 0.733 . . . . 65.03 109.602 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.502 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.9 p-10 -42.97 -52.76 5.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.52 1.674 . . . . 75.43 115.52 -174.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -55.62 -45.24 77.56 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.316 0.487 . . . . 75.53 112.316 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -61.55 -47.6 84.78 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.778 0.431 . . . . 55.5 111.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' ASP . 57.4 mt -52.03 -45.61 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 C-N-CA 124.235 1.014 . . . . 71.44 111.38 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.89 -42.03 86.2 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.763 -1.108 . . . . 74.51 111.123 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -68.98 -34.63 75.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.069 0.547 . . . . 75.41 111.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.441 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -68.65 -37.08 79.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 120.945 0.402 . . . . 74.34 110.521 174.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -75.56 -15.82 60.33 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.768 0.827 . . . . 71.45 112.948 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -114.66 5.17 15.29 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.44 0.696 . . . . 72.35 112.807 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 67.86 21.55 9.01 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 124.776 1.23 . . . . 73.23 114.252 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -85.22 58.97 5.34 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.547 0.689 . . . . 64.12 110.779 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.08 -10.01 59.07 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.621 0.768 . . . . 75.34 112.363 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.13 -39.54 78.83 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.554 0.741 . . . . 62.14 111.964 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -91.6 -40.32 11.39 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 122.866 0.467 . . . . 74.13 111.221 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -126.62 97.22 33.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 C-N-CA 123.574 0.75 . . . . 55.32 109.808 172.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.55 152.52 80.59 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.492 2.128 . . . . 75.23 112.458 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 86' ' ' PRO . 31.0 tp -78.35 124.62 85.59 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 115.792 -0.64 . . . . 54.3 110.601 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 85' ' ' LEU . 91.7 Cg_endo -82.86 157.26 15.7 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.541 2.161 . . . . 71.02 111.786 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.79 -29.24 69.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.27 1.028 . . . . 75.25 112.512 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.53 -27.15 68.41 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.853 0.861 . . . . 73.32 113.242 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -111.81 -8.3 14.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.458 0.54 . . . . 71.12 112.458 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 1.1 12.75 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.304 0.854 . . . . 74.45 113.304 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.51 18.47 2.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.348 0.659 . . . . 70.15 111.059 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -86.27 130.08 34.64 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.79 0.836 . . . . 74.41 111.887 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.75 -43.42 72.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.132 0.573 . . . . 65.01 110.314 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.0 tp -50.27 -47.08 55.5 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.923 1.289 . . . . 64.44 113.063 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.8 tp -56.4 -46.4 80.16 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.902 0.881 . . . . 73.42 111.683 177.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.57 -33.28 68.95 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.221 -0.899 . . . . 62.44 111.377 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.05 -37.93 89.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.893 0.877 . . . . 75.44 110.877 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 64' ' ' LEU . 51.5 tp -67.27 -37.29 83.23 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.977 0.911 . . . . 73.2 111.313 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 78.9 mt-30 -70.34 -41.93 72.54 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.859 0.864 . . . . 71.41 111.843 176.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.43 -47.76 82.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.691 0.796 . . . . 61.11 110.466 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -57.94 -47.86 81.65 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.637 1.175 . . . . 73.33 111.383 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -53.98 -25.52 21.23 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.808 1.243 . . . . 74.52 113.658 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.5 -42.87 28.41 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 112.721 0.637 . . . . 64.24 112.721 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 p30 . . . . . 0 N--CA 1.503 2.19 0 N-CA-C 113.784 1.031 . . . . 74.22 113.784 -169.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 112.433 0.531 . . . . 54.41 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.5 -32.5 66.21 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 122.215 -0.303 . . . . 61.34 111.454 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.5 tttp -65.63 -48.59 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.131 0.573 . . . . 65.15 109.662 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' HG13 ' A' ' 27' ' ' ILE . 37.2 ttm-85 -49.22 -51.27 34.16 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.882 1.273 . . . . 65.24 110.189 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.7 96.98 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.307 -0.86 . . . . 64.41 112.511 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -65.56 -33.01 74.92 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.385 0.674 . . . . 74.14 111.555 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 78.1 mt -71.01 -45.37 64.07 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.937 0.495 . . . . 71.03 110.689 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.627 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.7 mt -54.34 -40.58 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.82 0.848 . . . . 51.41 111.502 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -58.87 -50.73 72.89 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.796 0.838 . . . . 55.31 112.011 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.535 ' HB2' HD13 ' A' ' 65' ' ' LEU . 95.0 mt-30 -72.65 -14.94 61.7 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.647 0.61 . . . . 75.14 112.647 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.1 p -89.8 -30.8 17.72 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.059 0.544 . . . . 63.15 112.292 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -77.47 -10.38 59.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.906 0.482 . . . . 73.34 111.917 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -105.66 113.09 26.44 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.967 -0.753 . . . . 53.52 108.967 163.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 65' ' ' LEU . 14.5 mmt180 -149.42 145.9 27.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.087 0.955 . . . . 70.12 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.63 -27.3 73.53 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 114.504 0.562 . . . . 75.44 114.504 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -105.38 134.6 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.472 0.709 . . . . 71.0 110.285 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.86 -41.38 97.79 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.226 0.611 . . . . 74.3 112.368 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.97 -37.98 75.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.404 0.52 . . . . 71.25 112.404 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 69' ' ' ASP . 91.8 m -68.3 -35.65 78.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.15 0.58 . . . . 74.44 110.862 173.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.35 -56.72 15.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.207 1.003 . . . . 73.13 110.609 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.62 -28.28 68.36 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.542 0.737 . . . . 73.1 112.06 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 101' ' ' PHE . 49.2 tp -64.18 -58.85 5.4 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.268 0.627 . . . . 43.13 110.767 174.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 87.0 mt -74.6 -30.04 61.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.921 0.711 . . . . 72.51 112.921 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -62.55 -56.94 13.3 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.4 0.68 . . . . 74.25 111.734 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -33.79 83.76 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.691 -0.686 . . . . 61.52 113.202 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.05 -42.15 93.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 63.33 110.401 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.08 -40.2 75.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.412 -0.813 . . . . 72.05 112.611 -176.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.86 83.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.258 0.466 . . . . 74.51 112.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -87.33 -55.71 3.69 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.652 -0.703 . . . . 70.42 112.74 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -79.96 -48.57 13.18 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.657 0.614 . . . . 64.45 112.657 -169.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.833 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.8 mp -55.99 -29.16 59.86 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.302 0.501 . . . . 73.41 112.345 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -54.99 -42.45 72.47 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.268 1.027 . . . . 73.52 111.7 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -106.7 -13.67 15.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.189 0.996 . . . . 75.33 113.022 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.48 ' SD ' HD23 ' A' ' 58' ' ' LEU . 46.7 ttm -69.26 146.42 52.3 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.636 1.174 . . . . 52.24 113.325 -171.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -73.48 155.69 38.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.71 0.804 . . . . 73.23 112.084 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.15 -43.5 61.24 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.751 1.62 . . . . 64.33 112.331 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.76 -46.93 80.08 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.918 -1.037 . . . . 62.22 111.887 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.7 -28.4 65.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.049 -0.978 . . . . 70.52 111.812 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' SD ' ' A' ' 53' ' ' MET . 68.9 mt -60.49 -37.12 80.04 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 122.904 0.482 . . . . 54.54 111.763 170.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.03 -30.51 63.8 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.75 0.42 . . . . 75.0 111.218 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.99 -34.71 78.36 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 121.132 0.491 . . . . 64.4 110.235 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.32 -36.15 76.68 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.39 0.676 . . . . 74.22 112.03 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.99 -40.49 73.39 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.76 0.824 . . . . 62.44 109.73 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -60.62 -43.46 97.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.163 0.985 . . . . 61.24 112.186 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.29 -29.09 70.47 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.045 0.938 . . . . 73.42 112.217 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 29' ' ' GLN . 78.2 mt -70.6 -20.26 62.78 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.538 0.735 . . . . 54.54 112.728 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -87.06 -13.22 44.95 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.469 0.708 . . . . 64.31 111.764 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.74 163.53 25.31 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.684 0.624 . . . . 73.42 112.684 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.63 133.09 38.49 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.077 0.951 . . . . 73.52 112.106 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -47.41 -68.87 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 115.527 1.677 . . . . 75.45 115.527 -174.097 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -56.77 -38.32 72.32 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 117.818 0.281 . . . . 71.35 111.547 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.83 -47.47 85.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.496 0.318 . . . . 61.31 111.277 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.73 -45.11 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 123.992 0.917 . . . . 72.54 111.505 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.51 -44.01 97.84 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.184 -0.917 . . . . 72.43 111.801 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' ' HB2' ' A' ' 79' ' ' ASN . 67.2 m-85 -78.82 -26.44 44.24 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.856 0.687 . . . . 51.32 112.856 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.545 ' HA ' ' HE1' ' A' ' 80' ' ' PHE . 36.3 m0 -68.4 -40.59 81.23 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.338 0.59 . . . . 70.25 110.252 170.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -67.74 -38.87 84.11 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 114.868 -1.06 . . . . 62.51 112.295 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -87.23 -6.2 58.66 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.112 0.565 . . . . 72.01 112.352 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 64.21 21.84 12.66 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.048 1.339 . . . . 74.45 111.946 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' HD1' ' A' ' 74' ' ' TYR . 89.6 m-20 -92.89 78.87 4.69 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.16 0.984 . . . . 72.55 110.412 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.545 ' HE1' ' HA ' ' A' ' 75' ' ' TRP . 22.3 m-85 -82.79 10.18 8.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.272 0.841 . . . . 73.42 113.272 -173.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -61.07 -43.68 98.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.869 0.868 . . . . 75.11 112.45 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -95.39 -36.72 11.25 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.533 0.733 . . . . 50.2 110.887 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 38.8 m -135.03 87.64 28.83 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.126 0.971 . . . . 62.21 110.86 -170.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.518 ' HA ' ' HB3' ' A' ' 80' ' ' PHE . 32.4 Cg_exo -61.17 152.18 73.66 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.809 2.339 . . . . 73.23 113.374 175.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.7 122.85 82.65 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 123.379 0.672 . . . . 60.12 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.8 Cg_exo -74.17 154.07 46.57 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.799 2.333 . . . . 75.11 111.92 171.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.168 0.987 . . . . 61.03 112.918 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.4 ptmt -55.36 -49.2 72.89 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.577 0.751 . . . . 72.01 112.597 175.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.58 -18.88 36.77 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.254 0.464 . . . . 62.51 112.254 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.83 50.69 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 113.347 0.869 . . . . 72.24 113.347 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -115.48 1.1 13.57 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.44 0.696 . . . . 75.24 112.375 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -73.38 131.94 42.44 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 112.892 0.701 . . . . 70.13 112.892 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -57.84 -43.81 86.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.396 1.079 . . . . 53.15 111.246 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -56.94 -46.71 81.88 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.957 -1.02 . . . . 74.14 112.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.68 -39.29 84.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.804 0.442 . . . . 74.54 111.776 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 66.2 mttm -61.87 -41.33 97.72 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.336 0.654 . . . . 64.01 111.111 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.28 -35.72 78.29 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.109 0.964 . . . . 70.1 111.299 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.73 -38.89 84.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.994 0.918 . . . . 74.21 111.088 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -64.89 -38.09 89.81 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.742 0.817 . . . . 71.42 111.718 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 11.1 mm-40 -62.66 -39.7 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.804 0.442 . . . . 54.14 111.89 176.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' A' ' 41' ' ' LEU . 60.2 t80 -74.16 -45.72 46.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.85 -0.159 . . . . 73.32 111.281 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.616 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t -50.19 -54.19 22.65 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.254 1.021 . . . . 51.3 112.972 -176.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.31 -23.25 51.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.563 -0.744 . . . . 63.44 111.75 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 . . . . . 0 N--CA 1.487 1.395 0 C-N-CA 123.836 0.854 . . . . 64.21 111.588 -178.766 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 . . . . . 0 CA--C 1.554 1.108 0 N-CA-C 112.968 0.729 . . . . 55.01 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -71.84 -27.88 63.19 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.276 0.489 . . . . 70.14 111.901 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 78.4 tttt -68.48 -50.75 50.04 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.91 -0.404 . . . . 72.41 109.91 171.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.6 -42.47 78.81 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.634 0.774 . . . . 74.3 111.634 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.601 0.76 . . . . 65.2 111.72 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -60.77 -41.38 95.36 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.96 0.904 . . . . 64.02 111.437 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.1 mt -71.38 -44.12 65.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.007 0.523 . . . . 51.21 111.964 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.571 HG12 ' HB1' ' A' ' 46' ' ' ALA . 57.7 mt -62.68 -29.5 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 123.006 0.522 . . . . 72.31 110.848 171.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -73.39 -40.02 64.64 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.792 0.837 . . . . 75.31 112.4 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 65' ' ' LEU . 98.4 mt-30 -76.39 -14.68 60.06 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.224 0.609 . . . . 64.52 111.778 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.4 p -87.0 -17.83 32.07 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.449 0.7 . . . . 55.51 111.128 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -20.92 29.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.325 0.65 . . . . 74.01 111.281 171.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.49 111.46 23.56 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.559 -0.904 . . . . 72.24 108.559 171.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 5.0 mmp_? -147.29 156.06 42.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 74.44 110.525 -171.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.8 -35.42 35.68 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-N 115.832 -0.622 . . . . 71.02 113.818 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 69' ' ' ASP . 48.9 pt -128.18 154.89 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 117.546 0.673 . . . . 72.12 111.722 175.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.27 -28.86 62.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.867 0.867 . . . . 73.31 112.795 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.5 -38.35 84.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 122.002 -0.436 . . . . 75.33 112.105 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.8 m -73.49 -28.53 61.97 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.898 0.479 . . . . 70.13 111.142 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t70 -64.82 -48.31 74.85 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.786 0.434 . . . . 71.23 111.731 171.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.05 -28.31 68.11 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.197 0.599 . . . . 71.24 111.1 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 tp -73.03 -57.53 3.97 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.777 0.831 . . . . 73.44 111.386 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD11 HD13 ' A' ' 72' ' ' ILE . 57.6 mt -76.51 -46.57 26.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.615 0.968 . . . . 72.33 113.615 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.9 t -69.17 -31.06 69.45 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 118.43 0.559 . . . . 70.43 111.624 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.02 -45.38 73.1 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 121.405 0.447 . . . . 62.33 112.355 169.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.39 -33.68 71.51 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.51 1.124 . . . . 73.12 110.829 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.98 -39.02 63.97 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.685 0.794 . . . . 74.03 112.391 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.84 67.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.121 0.415 . . . . 73.35 112.121 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -88.98 -56.9 3.1 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 123.143 0.577 . . . . 73.42 112.224 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -80.8 -41.75 22.82 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.35 0.87 . . . . 75.5 113.35 -169.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.0 mp -60.45 -21.04 61.86 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.031 0.752 . . . . 74.23 113.031 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.33 -26.74 68.6 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.049 0.94 . . . . 64.35 112.427 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -114.51 -13.77 12.17 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.986 0.915 . . . . 72.05 112.382 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.534 ' SD ' HD23 ' A' ' 58' ' ' LEU . 59.0 ttm -71.14 130.72 42.21 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.345 1.058 . . . . 60.14 113.824 -167.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -83.23 167.05 18.05 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.958 0.903 . . . . 62.1 111.88 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.69 -44.2 66.13 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 124.732 1.213 . . . . 72.12 112.649 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.05 -40.08 88.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.516 1.127 . . . . 61.41 112.725 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -78.43 -31.53 48.16 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.851 0.86 . . . . 72.34 111.295 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD23 ' SD ' ' A' ' 53' ' ' MET . 77.5 mt -65.34 -45.0 85.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.46 1.104 . . . . 72.12 111.848 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.49 -29.16 68.52 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.878 0.37 . . . . 73.55 111.53 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.66 -43.24 80.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.944 -0.571 . . . . 72.44 110.498 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.419 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 58.7 t80 -62.51 -36.88 83.95 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.271 0.629 . . . . 75.12 111.617 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.7 t70 -56.94 -47.61 80.24 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.982 0.513 . . . . 75.13 110.749 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 m -54.31 -40.21 67.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.64 0.776 . . . . 74.33 111.856 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 HD22 ' A' ' 98' ' ' LEU . 32.2 tp -66.78 -34.36 77.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.001 0.92 . . . . 70.34 111.846 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 29' ' ' GLN . 38.5 mt -70.47 -27.77 64.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.648 0.779 . . . . 61.42 111.753 176.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -84.22 -3.48 58.21 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.106 0.562 . . . . 63.05 112.022 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -84.22 164.45 19.09 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.177 0.513 . . . . 64.43 110.608 173.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.76 133.23 35.62 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.057 -0.52 . . . . 71.35 110.568 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' HB3' HG12 ' A' ' 35' ' ' ILE . 7.9 m-20 -46.63 -58.7 3.58 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.066 1.506 . . . . 71.42 115.066 -172.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -59.78 -35.24 74.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.397 -0.335 . . . . 74.33 111.56 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.15 -47.26 71.56 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.148 0.579 . . . . 74.41 110.869 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 42' ' ' LEU . 72.4 mt -50.88 -47.24 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 124.447 1.099 . . . . 72.43 110.463 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.59 -38.84 84.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.031 -1.441 . . . . 71.44 111.916 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -71.16 -42.24 69.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.201 0.6 . . . . 75.13 111.449 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -63.56 -34.63 78.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.161 0.505 . . . . 73.53 110.471 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -71.14 -32.18 68.63 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.809 0.844 . . . . 60.44 112.742 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -102.04 11.92 37.66 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.613 0.765 . . . . 74.52 112.222 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 55.07 70.91 0.58 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.984 1.313 . . . . 74.32 112.492 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -140.54 102.45 4.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.806 0.842 . . . . 65.32 109.014 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.76 5.17 15.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.633 0.773 . . . . 72.21 111.733 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.65 -40.2 63.91 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.032 0.933 . . . . 71.34 110.789 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -97.38 -33.53 11.38 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.478 0.711 . . . . 72.32 111.968 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -134.98 92.9 17.92 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.286 0.634 . . . . 73.23 110.695 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.24 154.14 69.76 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.1 2.533 . . . . 72.32 112.994 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.94 123.35 66.37 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 123.148 0.579 . . . . 63.13 111.713 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 16.4 Cg_exo -70.18 153.08 67.34 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.694 2.263 . . . . 75.2 112.639 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.14 -32.59 68.3 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.032 0.933 . . . . 64.24 112.183 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 62.6 pttt -63.36 -25.43 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.527 0.731 . . . . 75.13 112.436 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.479 ' HB3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 -100.75 -26.63 13.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.192 0.597 . . . . 74.41 112.217 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.71 71.44 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.381 0.672 . . . . 74.34 112.543 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -105.27 2.12 28.7 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.434 0.694 . . . . 70.42 112.303 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -81.79 128.26 33.83 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.81 0.67 . . . . 75.42 112.81 -171.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -60.51 -38.44 84.37 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.29 1.036 . . . . 60.4 110.823 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.07 -48.25 80.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.994 0.918 . . . . 73.22 112.471 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 89' ' ' TRP . 27.9 tp -62.06 -40.16 94.85 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.806 0.442 . . . . 63.4 111.272 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.31 -49.47 76.89 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.515 0.726 . . . . 70.01 110.613 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.208 1.003 . . . . 71.31 111.711 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.44 HD22 HD21 ' A' ' 64' ' ' LEU . 35.6 tp -67.55 -44.59 77.93 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.76 0.824 . . . . 65.31 111.522 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 79.3 mt-30 -64.91 -37.57 88.07 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.575 0.75 . . . . 64.32 111.388 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.7 -35.31 79.83 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.406 0.683 . . . . 73.23 111.098 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.8 -34.75 69.65 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.518 0.327 . . . . 71.22 110.713 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.449 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 64.5 m -60.66 -32.75 71.93 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 122.746 0.419 . . . . 72.44 111.313 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.56 -33.34 60.63 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.6 -0.727 . . . . 72.22 111.576 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 124.219 1.007 . . . . 73.42 113.016 -176.437 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.103 0.478 . . . . 73.41 111.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -74.18 -29.58 61.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.297 0.639 . . . . 34.14 112.158 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.49 -53.76 11.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.954 0.902 . . . . 64.23 110.134 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 34.9 ttp-105 -55.78 -41.18 73.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.289 1.036 . . . . 73.12 111.375 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.67 95.46 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.088 0.555 . . . . 64.25 111.631 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.85 -32.47 73.01 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.255 1.022 . . . . 62.41 111.867 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 50' ' ' LEU . 93.5 mt -74.89 -44.11 50.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.945 0.498 . . . . 51.13 111.58 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.758 HG12 ' HB1' ' A' ' 46' ' ' ALA . 53.7 mt -62.51 -33.47 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 121.122 0.486 . . . . 74.41 110.587 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 123.944 0.898 . . . . 54.43 111.953 170.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 26.6 mt-30 -74.52 -17.15 60.79 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.12 0.568 . . . . 64.25 112.377 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.5 p -83.75 -26.41 29.7 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.77 0.428 . . . . 70.34 111.229 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 76.5 mtp180 -85.58 -9.65 57.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.275 0.63 . . . . 73.34 111.514 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -107.59 111.22 23.36 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.47 -0.567 . . . . 73.15 109.47 164.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.682 ' HD2' HD12 ' A' ' 42' ' ' LEU . 4.6 mmp_? -138.09 -168.26 2.32 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.283 1.033 . . . . 74.14 110.133 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.38 -44.89 3.37 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 116.091 -0.504 . . . . 74.53 112.657 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 38' ' ' THR . 42.9 pt -117.71 150.92 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.557 0.743 . . . . 74.21 110.84 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.81 -19.87 61.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.329 0.651 . . . . 72.44 112.71 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.09 -43.9 85.96 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.818 0.281 . . . . 70.32 111.48 171.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' H ' HG13 ' A' ' 35' ' ' ILE . 24.5 m -73.44 -29.79 62.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.248 0.219 . . . . 45.01 111.179 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -57.62 -58.14 9.63 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 117.851 0.296 . . . . 73.14 111.055 168.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.3 -31.75 72.39 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.432 0.693 . . . . 75.52 112.054 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -69.01 -60.24 2.49 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.256 0.623 . . . . 50.12 111.134 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 33' ' ' ARG . 40.4 mt -74.47 -33.21 62.82 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.574 0.953 . . . . 63.12 113.574 -173.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -70.54 -37.07 74.0 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 118.234 0.47 . . . . 61.23 111.557 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -41.82 89.07 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 121.438 0.465 . . . . 40.15 112.045 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -60.98 -33.63 73.51 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.449 1.1 . . . . 75.34 110.338 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.34 -40.34 64.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.465 0.706 . . . . 70.3 112.237 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.13 74.94 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.188 0.518 . . . . 62.33 112.05 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -87.87 -54.62 4.15 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.581 0.752 . . . . 65.11 112.544 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -82.59 -41.32 19.68 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.935 1.087 . . . . 71.24 113.935 -170.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -60.59 -22.1 63.36 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 119.182 0.901 . . . . 74.24 111.995 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -29.93 70.79 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 124.056 0.942 . . . . 63.01 112.068 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -118.45 -24.06 6.96 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.292 1.219 . . . . 63.1 114.292 -177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.0 mtm -71.43 148.48 46.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 112.921 0.711 . . . . 61.12 112.921 -170.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -81.85 166.93 19.52 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.656 -1.156 . . . . 72.4 111.284 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.22 -46.34 54.58 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.269 1.028 . . . . 75.23 112.692 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.51 -36.22 83.48 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.724 0.81 . . . . 65.55 112.81 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.08 -40.04 68.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.468 0.707 . . . . 53.22 111.34 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -60.23 -44.98 94.74 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.71 1.004 . . . . 62.41 113.71 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.86 -26.2 60.44 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.95 -0.469 . . . . 63.33 111.404 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.92 -37.33 78.87 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 120.956 0.407 . . . . 73.43 110.436 168.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 55.2 t80 -64.61 -34.31 77.97 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.391 0.676 . . . . 72.24 111.201 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 65' ' ' LEU . 53.6 t0 -56.99 -46.99 81.85 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.227 0.611 . . . . 71.04 109.96 172.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -59.33 -34.35 72.24 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.463 0.705 . . . . 72.2 112.651 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 98' ' ' LEU . 41.6 tp -67.82 -35.14 78.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.414 0.685 . . . . 71.44 111.237 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 37.5 mt -70.76 -23.19 62.37 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.855 0.862 . . . . 73.22 111.428 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -88.6 7.43 33.38 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.1 0.56 . . . . 74.11 112.103 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -92.22 171.68 8.91 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.499 0.666 . . . . 71.34 112.436 174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.34 128.91 35.1 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.945 -1.025 . . . . 63.35 110.973 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -53.34 -53.09 56.08 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.003 1.321 . . . . 72.43 114.494 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.49 -35.99 77.26 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 111.887 0.328 . . . . 73.44 111.887 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.98 -51.48 66.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.654 0.382 . . . . 73.21 110.702 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 42' ' ' LEU . 64.9 mt -50.3 -44.89 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.108 0.963 . . . . 74.11 111.283 174.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -67.88 -43.23 79.83 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.821 -1.081 . . . . 72.02 111.903 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 80' ' ' PHE . 30.9 m-85 -76.55 -28.43 56.29 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 112.933 0.716 . . . . 75.31 112.933 -177.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.615 ' HB3' HD11 ' A' ' 95' ' ' LEU . 30.6 m0 -68.52 -43.5 76.62 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 109.815 -0.439 . . . . 71.51 109.815 173.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -63.38 -52.56 61.16 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.365 1.066 . . . . 65.22 112.273 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.7 p -68.85 -16.13 63.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.363 0.665 . . . . 61.32 111.959 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 64.4 21.16 12.41 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.103 1.361 . . . . 74.03 111.256 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -76.45 -52.76 9.2 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.689 -0.856 . . . . 75.44 108.689 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 74' ' ' TYR . 97.3 m-85 65.28 -79.13 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.795 1.638 . . . . 75.22 110.563 -173.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 51.41 -74.82 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.804 2.042 . . . . 75.2 113.805 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -96.33 -24.46 16.17 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.137 0.975 . . . . 43.31 111.686 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -112.66 96.98 39.27 Favored Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.394 1.078 . . . . 70.54 110.841 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.06 169.84 20.82 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.98 2.454 . . . . 55.24 113.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -89.16 120.13 69.8 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 122.791 0.436 . . . . 64.21 111.519 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.63 166.64 28.79 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 123.215 2.61 . . . . 74.13 113.011 173.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.99 -41.11 87.32 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.97 0.908 . . . . 44.54 112.317 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -67.45 -13.97 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.601 0.761 . . . . 72.13 113.011 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -105.65 -15.85 14.85 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.398 0.679 . . . . 61.24 112.13 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.17 118.43 8.57 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 109.867 -0.419 . . . . 41.01 109.867 170.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 71.41 26.86 3.2 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 125.696 1.599 . . . . 41.21 112.501 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -80.64 130.23 34.98 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.052 0.541 . . . . 62.31 111.776 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.76 -43.78 95.38 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.116 0.566 . . . . 74.14 110.705 174.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HA ' HE21 ' A' ' 97' ' ' GLN . 41.7 tp -57.87 -40.5 80.36 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.291 1.036 . . . . 75.13 111.749 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 75' ' ' TRP . 47.7 tp -62.05 -48.29 80.91 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.748 -0.66 . . . . 63.54 111.244 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -58.75 -41.57 86.82 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.654 0.781 . . . . 62.51 111.498 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.556 HE21 ' HA ' ' A' ' 94' ' ' LEU . 24.5 mt-30 -59.52 -43.25 93.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.525 1.13 . . . . 72.25 111.584 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 64' ' ' LEU . 37.6 tp -70.04 -36.77 75.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.062 0.945 . . . . 73.34 112.141 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.65 -49.57 62.22 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.567 0.747 . . . . 62.15 112.186 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.14 -27.63 64.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.868 0.467 . . . . 65.34 110.784 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.93 -50.74 65.26 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.801 0.441 . . . . 74.3 110.802 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.438 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.4 t -55.0 -28.48 52.3 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.472 0.709 . . . . 71.1 112.502 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.32 -44.73 71.12 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.722 0.809 . . . . 70.33 111.89 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 . . . . . 0 N--CA 1.489 1.522 0 C-N-CA 124.083 0.953 . . . . 62.12 112.82 -170.618 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 CA--C 1.558 1.283 0 CA-C-O 120.554 0.216 . . . . 74.32 111.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.35 -37.27 82.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 111.949 0.351 . . . . 75.1 111.949 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -60.3 -49.83 76.05 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 122.588 0.355 . . . . 64.24 110.996 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 58.3 ttp85 -53.7 -50.31 66.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.74 0.816 . . . . 73.42 111.395 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.83 95.4 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.097 0.559 . . . . 64.23 112.493 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.93 -42.76 97.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.47 0.708 . . . . 74.24 111.723 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -44.66 91.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.054 0.541 . . . . 72.43 111.729 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 79.3 mt -55.86 -42.81 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.904 0.482 . . . . 64.21 110.763 173.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.94 -46.46 90.61 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.218 0.607 . . . . 74.52 111.907 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.573 ' HB2' HD13 ' A' ' 65' ' ' LEU . 54.8 mt-30 -71.81 -15.52 62.15 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.427 0.691 . . . . 72.34 112.16 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.7 m -78.99 -40.31 31.87 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.061 0.944 . . . . 61.41 111.051 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 64.3 mtp180 -80.06 -14.34 58.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.126 -0.943 . . . . 65.21 110.816 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -86.78 111.2 20.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 107.352 -1.351 . . . . 62.3 107.352 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' HD3' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -154.38 150.25 27.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.919 0.39 . . . . 54.11 111.549 -172.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.66 -42.14 40.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.811 -0.632 . . . . 65.14 113.758 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' ' 69' ' ' ASP . 37.6 pt -116.27 154.25 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.842 0.457 . . . . 72.53 111.44 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.46 -24.29 60.2 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.058 0.943 . . . . 71.31 112.772 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -64.53 -53.24 51.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.371 0.605 . . . . 72.12 111.433 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.443 ' H ' HG13 ' A' ' 35' ' ' ILE . 39.1 m -72.93 -29.65 63.28 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.843 0.857 . . . . 62.21 111.319 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.52 -58.91 5.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.492 0.717 . . . . 71.2 112.041 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.61 -27.73 67.93 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.232 0.613 . . . . 74.42 111.762 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 tp -64.45 -59.68 4.05 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.831 0.852 . . . . 71.45 111.648 175.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 ' HD3' ' A' ' 33' ' ' ARG . 79.9 mt -75.59 -32.54 60.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 74.03 113.153 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -62.81 -47.11 84.85 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.031 0.532 . . . . 75.24 110.882 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.44 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 115.456 -0.793 . . . . 64.31 112.871 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.51 -41.74 97.77 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.799 0.839 . . . . 71.45 111.254 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.81 -40.13 72.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.148 0.579 . . . . 55.32 112.419 -177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.52 -25.92 64.27 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.295 0.638 . . . . 74.24 112.237 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -92.04 -54.21 3.93 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.673 0.789 . . . . 74.4 112.841 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -82.01 -46.2 14.29 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.045 1.128 . . . . 75.31 114.045 -168.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -54.63 -20.49 8.21 Favored 'General case' 0 N--CA 1.509 2.507 0 N-CA-C 113.74 1.015 . . . . 73.42 113.74 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 75.6 mmtt -55.33 -42.48 73.85 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.971 0.908 . . . . 72.03 112.45 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HD3' ' HB2' ' A' ' 51' ' ' LYS . 3.3 mppt? -113.88 -22.57 10.07 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.427 0.691 . . . . 73.25 112.619 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.6 ttp -70.25 133.56 47.15 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.476 0.71 . . . . 63.23 112.159 -170.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 m120 -70.07 160.02 32.77 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.001 1.111 . . . . 73.33 114.001 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.4 mp0 -48.79 -51.41 29.36 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 126.224 1.81 . . . . 42.05 112.061 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.63 -36.49 83.86 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.835 -1.53 . . . . 55.44 112.666 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.11 -32.22 68.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.382 0.673 . . . . 75.33 111.19 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 50' ' ' LEU . 44.7 mt -64.72 -32.37 74.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.126 0.971 . . . . 62.35 112.194 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.2 -28.81 60.14 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.025 0.53 . . . . 73.42 111.742 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.75 -34.62 75.9 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.98 -0.378 . . . . 74.11 109.98 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.8 t80 -66.64 -38.5 87.0 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.0 0.37 . . . . 63.31 112.0 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.34 -40.36 81.96 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.36 0.664 . . . . 65.02 110.8 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -58.79 -41.85 87.7 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.569 0.748 . . . . 34.03 111.718 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 98' ' ' LEU . 33.4 tp -69.09 -34.95 75.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.467 0.707 . . . . 73.2 111.613 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 29' ' ' GLN . 84.6 mt -69.98 -18.95 63.36 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.215 0.606 . . . . 74.44 111.576 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.31 -0.91 52.34 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.122 0.969 . . . . 65.33 112.212 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.04 169.37 18.31 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.341 0.657 . . . . 63.3 111.332 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.51 140.47 44.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.121 0.568 . . . . 55.41 111.35 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' ' 35' ' ' ILE . 25.2 m-20 -51.39 -69.27 0.12 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.559 1.144 . . . . 74.41 113.497 -172.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -54.34 -36.81 64.2 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.323 0.649 . . . . 71.5 112.701 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.62 -49.47 76.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.652 0.781 . . . . 63.1 111.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.32 -43.84 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 C-N-CA 123.655 0.782 . . . . 65.11 110.973 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -65.21 -46.57 80.17 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.801 -1.09 . . . . 73.51 111.72 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.04 -33.12 71.56 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.704 0.631 . . . . 74.43 112.704 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -66.84 -39.88 87.78 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.081 0.467 . . . . 70.35 110.667 174.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -70.72 -34.42 71.88 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.538 -0.756 . . . . 51.54 111.934 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.4 p -98.69 15.21 25.96 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.603 0.761 . . . . 64.14 112.606 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 tttp 67.47 4.84 3.98 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 124.197 0.999 . . . . 74.2 113.222 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -88.1 69.87 9.29 Favored 'General case' 0 CA--C 1.561 1.372 0 O-C-N 120.9 -1.125 . . . . 71.31 110.626 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -81.09 -11.43 59.49 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.756 0.822 . . . . 71.2 113.04 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -57.28 -44.27 83.86 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.381 0.673 . . . . 45.33 111.623 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -86.25 -41.81 14.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.056 -0.975 . . . . 40.45 111.852 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 m -126.63 94.93 39.05 Favored Pre-proline 0 N--CA 1.493 1.713 0 C-N-CA 123.088 0.555 . . . . 55.22 110.784 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.13 151.19 80.42 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.016 2.477 . . . . 64.12 112.98 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -82.5 119.99 75.84 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 122.659 0.384 . . . . 71.34 110.887 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.618 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.1 Cg_exo -74.26 157.89 45.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.795 2.33 . . . . 75.44 112.445 173.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.49 -31.48 70.51 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.186 0.994 . . . . 74.01 112.14 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.618 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -61.18 -26.51 67.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.092 0.957 . . . . 54.14 113.315 178.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -107.17 -10.77 15.77 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 112.671 0.619 . . . . 73.11 112.671 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.09 71.4 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.689 0.795 . . . . 50.55 113.114 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.83 4.74 21.98 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.452 0.701 . . . . 75.21 112.33 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -73.59 126.58 30.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.279 0.632 . . . . 74.4 112.663 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -52.96 -48.35 67.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.574 1.149 . . . . 64.32 111.324 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.55 -47.22 66.9 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.085 1.354 . . . . 54.43 113.789 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.51 -41.63 98.96 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.385 -0.371 . . . . 71.55 111.466 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.5 87.02 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.3 -0.409 . . . . 51.44 110.826 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.8 -42.51 93.61 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.634 0.774 . . . . 72.34 111.273 171.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 64' ' ' LEU . 42.9 tp -67.7 -39.92 84.35 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.188 0.995 . . . . 75.33 111.615 -177.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.27 -38.91 82.21 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.699 0.8 . . . . 74.34 111.49 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -61.68 -43.27 99.18 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.247 0.619 . . . . 71.31 111.12 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -69.87 -44.6 69.48 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.352 -0.385 . . . . 65.24 111.87 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.445 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 35.2 t -51.95 -50.52 61.03 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.891 0.876 . . . . 63.2 112.895 -173.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -75.21 -34.67 61.5 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 122.851 0.46 . . . . 72.2 111.679 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 74.25 112.516 -171.32 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 CA--C 1.558 1.264 0 CA-C-O 121.476 0.655 . . . . 74.12 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.61 -27.04 51.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.244 1.018 . . . . 72.42 112.83 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HZ2' HD11 ' A' ' 26' ' ' LEU . 52.7 tttm -71.9 -45.81 59.93 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.145 -0.687 . . . . 52.33 109.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HA ' HD23 ' A' ' 50' ' ' LEU . 98.7 mtt180 -57.92 -47.1 83.85 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.091 -0.959 . . . . 64.52 110.511 172.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.66 88.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.92 0.488 . . . . 71.22 111.803 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -69.52 -38.51 77.59 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.386 1.074 . . . . 74.25 112.239 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.63 HD11 ' HZ2' ' A' ' 22' ' ' LYS . 85.2 mt -72.65 -44.86 61.32 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.412 0.285 . . . . 52.24 111.104 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -61.98 -31.02 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 123.615 0.766 . . . . 74.22 111.129 173.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -63.74 -48.19 77.99 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 122.003 -0.436 . . . . 43.23 111.203 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' HD13 ' A' ' 65' ' ' LEU . 96.8 mt-30 -80.68 -6.16 58.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.63 0.604 . . . . 74.23 112.63 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 59.9 p -85.87 -28.91 24.09 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.818 0.447 . . . . 73.12 109.98 167.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -84.76 -19.36 32.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.633 -0.712 . . . . 74.41 111.764 170.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -93.85 111.06 22.7 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 106.986 -1.487 . . . . 61.12 106.986 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -148.74 169.51 20.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.51 0.724 . . . . 74.41 111.51 -163.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.86 -58.98 3.58 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.011 -0.995 . . . . 71.31 111.425 165.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' ' 69' ' ' ASP . 36.1 pt -108.01 149.25 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 122.992 0.517 . . . . 75.33 111.552 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.5 mm? -74.02 -16.83 61.04 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.876 0.695 . . . . 65.23 112.876 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.55 -46.09 64.24 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 118.268 0.486 . . . . 65.24 111.422 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . 46.8 m -70.31 -30.01 66.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.048 0.539 . . . . 45.42 110.832 174.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 3.3 t70 -54.47 -57.99 9.2 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.788 0.435 . . . . 70.41 111.024 168.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.413 0.685 . . . . 72.14 112.287 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.01 -60.31 3.18 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.724 0.81 . . . . 73.15 111.844 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 75.7 mt -75.77 -27.38 58.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.101 0.778 . . . . 50.32 113.101 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 t -64.32 -50.46 67.74 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.346 0.658 . . . . 74.32 111.166 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.39 94.67 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 115.822 -0.626 . . . . 70.42 112.852 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.77 -43.15 94.49 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.704 0.801 . . . . 64.51 110.692 176.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.707 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -66.97 -46.02 75.94 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.109 -0.95 . . . . 74.2 112.152 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.14 73.23 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.861 -0.609 . . . . 50.45 112.466 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -83.53 -54.22 5.11 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.073 0.549 . . . . 65.34 111.93 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -81.72 -41.42 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.863 1.06 . . . . 63.44 113.863 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.9 mp -59.48 -37.95 79.58 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.005 0.743 . . . . 72.12 113.005 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.86 -33.65 70.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.579 0.751 . . . . 61.25 112.296 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -99.7 -13.77 19.18 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.288 0.635 . . . . 65.32 112.168 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtm -88.37 139.97 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.445 0.64 . . . . 74.23 111.863 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -90.44 173.98 7.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.06 0.944 . . . . 73.25 109.905 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.83 -33.71 75.81 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.449 0.699 . . . . 75.53 112.401 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.15 -30.41 71.47 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.852 0.861 . . . . 73.13 112.532 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.57 -45.86 16.68 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 123.693 0.797 . . . . 65.44 111.039 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.576 HD22 ' HG ' ' A' ' 50' ' ' LEU . 20.9 mt -58.16 -27.36 63.74 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.649 1.351 . . . . 72.25 114.649 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.01 -32.02 73.55 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.16 0.437 . . . . 62.12 112.082 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.73 -37.44 65.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.066 0.46 . . . . 72.2 109.955 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.83 -31.5 71.38 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.011 -0.54 . . . . 71.52 111.651 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.07 -35.28 74.81 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 73.12 109.931 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 m -75.31 -30.12 60.23 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.451 -1.25 . . . . 41.13 112.248 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.44 -32.35 73.15 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.362 0.665 . . . . 51.21 111.876 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 29' ' ' GLN . 59.9 mt -71.02 -19.27 62.53 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.437 0.695 . . . . 60.53 112.018 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -82.62 -11.39 58.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.752 0.821 . . . . 73.0 111.663 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -84.33 168.02 16.01 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.527 0.68 . . . . 75.4 112.17 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.3 mt -81.04 128.47 33.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.02 -0.991 . . . . 63.33 111.086 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.6 m-20 -42.57 -63.54 0.76 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 114.77 1.396 . . . . 75.24 114.77 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -59.24 -36.99 76.45 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.452 0.301 . . . . 74.24 111.794 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.61 -45.83 81.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.874 0.469 . . . . 62.34 111.113 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 42' ' ' LEU . 81.6 mt -56.58 -45.34 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 123.769 0.828 . . . . 70.44 110.365 175.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.29 -42.96 99.13 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.04 -0.982 . . . . 74.23 111.565 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -74.84 -37.23 62.31 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.154 0.427 . . . . 54.21 112.154 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -62.71 -39.74 95.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.01 0.433 . . . . 55.14 109.984 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 -33.46 73.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.118 0.967 . . . . 63.34 112.977 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -93.54 5.64 50.91 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.947 0.499 . . . . 73.22 112.012 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 65.85 12.79 8.62 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.064 1.346 . . . . 75.31 112.303 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.47 64.72 6.31 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.839 0.828 . . . . 50.11 110.383 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -74.54 -12.24 60.42 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.514 0.726 . . . . 74.11 112.313 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.39 -36.83 79.0 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.978 0.911 . . . . 71.03 112.196 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.7 m -90.81 -50.76 5.72 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.359 0.664 . . . . 71.11 110.411 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 m -111.14 106.19 57.29 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 123.562 0.745 . . . . 73.42 110.978 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.45 147.23 70.69 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.524 2.149 . . . . 71.21 112.225 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -82.66 122.05 78.27 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 122.979 0.511 . . . . 72.13 111.024 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.63 160.91 46.9 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.156 2.571 . . . . 74.22 112.822 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.04 -34.63 78.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.649 0.78 . . . . 74.13 111.732 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 9.02 3.39 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.421 0.897 . . . . 74.13 113.421 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -136.2 4.73 2.97 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 123.912 0.885 . . . . 70.13 111.742 164.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.46 107.06 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.118 0.567 . . . . 72.11 111.49 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 62.4 25.88 15.44 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.631 1.172 . . . . 74.34 112.402 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -66.82 140.66 57.83 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.62 0.368 . . . . 73.2 111.085 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.57 -42.02 95.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.399 1.079 . . . . 72.11 111.523 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.1 -45.05 87.88 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.821 0.849 . . . . 73.45 112.002 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.12 -44.24 97.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.942 0.497 . . . . 73.21 111.282 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.71 -42.33 83.53 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.065 0.546 . . . . 73.42 111.378 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.28 -43.2 98.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.323 0.649 . . . . 74.44 111.735 173.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.85 -39.89 94.28 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.237 1.015 . . . . 64.41 111.878 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.01 -49.03 69.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.875 0.87 . . . . 64.31 111.481 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.35 -25.84 64.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.541 -0.754 . . . . 73.24 111.48 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -75.0 -36.72 61.95 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.694 0.398 . . . . 75.45 111.836 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -54.91 -41.56 71.11 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 122.79 0.436 . . . . 61.43 111.679 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.29 -10.07 59.73 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.186 0.81 . . . . 71.05 113.186 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.492 1.645 0 C-N-CA 123.656 0.782 . . . . 64.12 113.05 177.72 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.565 1.541 0 N-CA-C 111.806 0.298 . . . . 75.13 111.806 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -72.91 -35.84 67.16 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 122.956 0.502 . . . . 74.21 111.845 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 54.7 tptt -56.65 -49.42 75.07 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.453 0.701 . . . . 72.55 110.127 169.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.34 -45.54 92.75 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.992 1.317 . . . . 72.53 111.408 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.45 91.01 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.013 0.525 . . . . 73.13 111.774 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -58.74 -42.48 88.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.686 0.795 . . . . 75.53 111.489 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.9 mt -66.17 -51.53 56.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.886 -0.597 . . . . 72.42 111.678 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.4 mt -56.46 -33.99 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 123.221 0.609 . . . . 63.25 110.871 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.14 -49.95 70.14 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 124.29 1.036 . . . . 74.05 111.568 174.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.0 mt-30 -69.19 -19.53 63.99 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.395 0.678 . . . . 73.34 111.944 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 m -76.48 -38.89 54.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.117 0.967 . . . . 52.23 110.761 172.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.29 -9.79 59.39 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.031 0.933 . . . . 62.53 112.214 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 5.1 mptp? -108.7 110.68 22.16 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.027 -0.731 . . . . 75.01 109.027 169.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.98 148.28 27.54 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.49 0.716 . . . . 70.32 110.675 -178.443 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.54 -16.26 80.47 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-N 116.565 -0.289 . . . . 72.55 113.596 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.14 130.36 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.674 0.79 . . . . 72.53 109.917 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.9 -38.11 87.87 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.318 0.647 . . . . 34.44 112.094 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -60.71 -48.41 81.91 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.817 0.447 . . . . 71.22 111.356 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -69.24 -32.06 71.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 73.01 111.747 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.03 -56.3 18.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.657 0.783 . . . . 75.34 110.736 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.43 -29.81 69.39 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.477 0.711 . . . . 72.2 111.571 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.1 -59.47 5.29 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.831 0.852 . . . . 50.41 111.276 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.85 -37.49 73.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.916 0.487 . . . . 64.04 112.04 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.2 m -63.64 -45.16 91.49 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.27 0.628 . . . . 72.12 111.824 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.18 98.47 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 116.386 -0.37 . . . . 71.13 112.584 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.57 -35.66 81.24 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.141 0.977 . . . . 64.03 110.813 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.84 -45.6 57.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.287 0.635 . . . . 60.32 112.374 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.16 65.55 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.931 -0.577 . . . . 64.04 112.132 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -91.75 -55.07 3.61 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.043 0.937 . . . . 75.24 113.235 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -81.17 -38.04 27.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.374 0.879 . . . . 72.21 113.374 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -60.21 -21.84 62.26 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.939 0.718 . . . . 65.1 112.939 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.5 mmpt? -54.25 -43.41 70.92 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 70.2 112.947 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -114.3 -7.56 12.93 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.798 0.666 . . . . 54.34 112.798 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.429 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 37.8 mtm -73.73 137.05 43.77 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.57 0.7 . . . . 75.25 112.382 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.2 173.22 11.63 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 114.63 -1.168 . . . . 72.14 111.878 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -50.81 -43.88 58.93 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.985 1.314 . . . . 72.53 111.923 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.9 -36.77 78.44 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.167 -0.924 . . . . 75.41 111.774 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 29.5 mm-40 -66.8 -48.75 68.02 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.557 0.694 . . . . 43.22 110.507 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' A' ' 50' ' ' LEU . 8.8 mt -56.37 -41.41 76.15 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.38 1.252 . . . . 55.32 114.38 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.09 -28.16 57.45 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 122.103 -0.373 . . . . 72.32 111.903 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -67.47 -38.26 84.13 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.304 0.573 . . . . 73.02 109.475 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.73 -34.25 76.48 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.591 0.757 . . . . 71.24 111.925 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 -48.09 81.7 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.407 0.683 . . . . 74.41 109.703 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 m -57.62 -36.69 72.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.83 0.852 . . . . 54.43 112.345 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 98' ' ' LEU . 39.3 tp -67.25 -35.66 80.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.355 0.662 . . . . 74.13 111.404 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 29' ' ' GLN . 65.3 mt -74.62 -16.35 60.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.431 0.692 . . . . 71.33 112.141 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -90.4 1.97 56.08 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.086 0.554 . . . . 73.3 111.758 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -86.77 171.14 11.13 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.552 0.691 . . . . 72.13 112.245 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.98 121.63 20.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.082 -0.963 . . . . 74.15 110.531 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -47.05 -57.56 4.92 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 114.575 1.324 . . . . 74.52 114.575 -174.661 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -45.3 74.32 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.015 0.825 . . . . 74.43 112.303 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.13 -41.21 92.17 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.432 0.693 . . . . 73.01 111.451 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.84 -43.66 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 123.831 0.852 . . . . 74.31 111.524 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -68.1 -38.54 82.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.007 0.523 . . . . 65.13 111.502 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -72.54 -27.84 62.48 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.948 0.499 . . . . 65.45 112.012 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HA ' ' CE1' ' A' ' 80' ' ' PHE . 36.7 m0 -79.06 -36.2 41.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.138 0.575 . . . . 74.53 110.971 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -63.29 -34.86 78.6 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.673 0.789 . . . . 50.34 111.641 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.3 -172.6 2.46 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.38 -0.827 . . . . 74.42 109.843 172.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -103.78 34.14 3.12 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.666 0.746 . . . . 73.41 110.661 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.43 48.59 1.23 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.225 1.01 . . . . 70.02 110.834 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 93.5 m-85 -76.59 16.4 0.5 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.784 0.834 . . . . 73.22 113.003 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -74.98 -65.2 0.9 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.66 0.784 . . . . 74.02 110.944 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 t -76.61 -33.23 58.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.18 0.592 . . . . 74.31 112.323 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 m -125.91 91.37 48.4 Favored Pre-proline 0 N--CA 1.487 1.403 0 C-N-CA 123.119 0.568 . . . . 65.52 109.92 172.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -71.49 161.75 44.46 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.396 2.064 . . . . 73.34 112.684 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 86' ' ' PRO . 23.2 tp -81.39 123.89 80.85 Favored Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 115.866 -0.606 . . . . 64.11 111.47 -173.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' A' ' 85' ' ' LEU . 84.3 Cg_endo -80.71 163.17 21.26 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.962 2.441 . . . . 75.1 111.999 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.84 -31.15 71.38 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.93 0.892 . . . . 70.11 112.549 -175.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -65.47 -24.91 67.28 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.952 0.901 . . . . 73.32 113.006 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -117.37 4.14 12.54 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.042 0.537 . . . . 74.21 112.161 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.64 101.89 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.762 0.425 . . . . 73.32 110.836 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 66.13 32.66 8.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.862 1.265 . . . . 62.12 111.98 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 t -61.1 135.75 57.86 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.907 -0.588 . . . . 75.0 111.044 172.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.16 -49.03 79.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.952 0.901 . . . . 73.32 110.618 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.16 -48.95 67.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.059 0.943 . . . . 70.15 112.202 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.53 -42.99 84.01 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.708 -0.678 . . . . 75.34 111.698 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.59 -37.38 85.98 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.759 0.423 . . . . 73.5 111.696 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -64.71 -37.15 86.6 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.143 0.577 . . . . 73.22 111.723 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.409 HD22 HD21 ' A' ' 64' ' ' LEU . 42.1 tp -71.74 -36.14 70.35 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.057 0.943 . . . . 72.44 111.651 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 97.7 mt-30 -69.0 -41.69 77.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.041 0.936 . . . . 63.41 111.497 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.18 -38.06 89.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 53.45 110.859 172.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -64.92 -44.22 90.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.044 0.538 . . . . 73.3 111.6 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.3 m -52.82 -42.58 65.26 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.179 0.592 . . . . 72.51 111.974 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.55 -51.01 70.35 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.568 0.747 . . . . 72.02 111.191 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.482 1.161 0 C-N-CA 123.966 0.906 . . . . 71.5 112.986 -170.475 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 111.995 0.368 . . . . 73.52 111.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -61.94 -43.23 99.28 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.367 0.506 . . . . 70.31 112.367 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttpt -60.87 -46.27 91.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.29 0.236 . . . . 51.35 111.142 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -49.65 -48.64 49.2 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.825 0.85 . . . . 75.42 111.516 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.62 95.75 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.911 -0.586 . . . . 51.2 112.278 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.89 -33.6 74.5 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.931 0.892 . . . . 74.12 112.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 92.7 mt -71.19 -49.39 44.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.965 0.506 . . . . 42.3 111.338 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.695 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.7 mt -60.85 -31.96 50.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 CA-C-N 115.307 -0.861 . . . . 73.34 110.73 174.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -61.52 -46.7 88.86 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.831 0.853 . . . . 74.32 111.534 171.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 48.2 mt-30 -69.37 -22.62 63.71 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 112.681 0.623 . . . . 74.31 112.681 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.0 p -75.88 -12.91 60.24 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.242 0.217 . . . . 54.33 111.186 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.71 -16.8 37.83 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.627 0.771 . . . . 62.1 112.342 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -106.88 111.94 24.68 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.917 -0.771 . . . . 72.23 108.917 172.405 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.602 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.39 154.64 37.04 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.491 1.117 . . . . 74.13 109.169 -177.389 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.44 73.29 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 113.736 0.254 . . . . 71.13 113.736 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.608 HD12 ' HB2' ' A' ' 37' ' ' GLU . 20.5 pt -137.61 154.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.838 0.855 . . . . 70.11 112.051 -175.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 32.5 tp -72.76 -24.93 61.02 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.438 0.695 . . . . 53.51 111.69 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.608 ' HB2' HD12 ' A' ' 35' ' ' ILE . 28.4 mm-40 -55.22 -54.61 41.17 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.177 0.591 . . . . 74.51 111.803 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -75.27 -30.6 60.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.417 0.687 . . . . 72.45 112.103 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 20.2 t70 -60.22 -49.87 75.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.058 0.543 . . . . 65.31 111.503 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.32 -36.51 80.35 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.705 0.802 . . . . 74.43 111.448 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -64.16 -55.52 21.23 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 115.202 -0.908 . . . . 55.45 111.628 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 72' ' ' ILE . 67.8 mt -74.98 -36.75 62.02 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.183 0.808 . . . . 65.12 113.183 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 m -68.09 -40.38 82.67 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.774 0.43 . . . . 70.31 111.425 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.08 88.63 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 116.408 -0.36 . . . . 65.01 112.557 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.76 -33.69 74.52 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.112 0.965 . . . . 74.43 110.585 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.757 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.81 -41.58 64.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.457 0.703 . . . . 61.04 111.884 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.45 58.73 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.689 -0.687 . . . . 44.44 112.555 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.26 -57.73 2.42 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.711 0.634 . . . . 43.32 112.711 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -82.76 -40.64 20.21 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.369 1.248 . . . . 75.42 114.369 -167.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.7 mp -57.29 -22.18 39.94 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 113.574 0.953 . . . . 60.22 113.574 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.61 -40.89 98.38 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.979 0.912 . . . . 63.4 111.106 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -105.11 -10.4 17.17 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 124.137 0.975 . . . . 72.11 112.748 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.649 ' SD ' HD23 ' A' ' 58' ' ' LEU . 51.0 ttm -74.73 143.08 44.28 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.336 1.054 . . . . 74.33 112.648 -172.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.91 158.61 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.41 0.684 . . . . 74.11 112.333 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.75 -49.69 57.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.064 1.346 . . . . 53.13 112.572 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.94 -41.71 99.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.851 -1.068 . . . . 61.24 112.384 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.481 0.712 . . . . 72.22 111.628 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.649 HD23 ' SD ' ' A' ' 53' ' ' MET . 82.1 mt -62.15 -37.55 85.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.488 0.715 . . . . 74.24 111.346 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.26 -27.98 61.0 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.843 0.457 . . . . 64.0 111.787 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.88 -39.47 83.69 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 116.28 -0.418 . . . . 51.24 110.216 171.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.41 -35.25 79.83 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.345 0.658 . . . . 74.54 110.84 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 65' ' ' LEU . 15.2 t70 -59.45 -43.06 93.24 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.076 0.551 . . . . 71.02 109.999 173.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -59.86 -38.74 83.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.473 0.709 . . . . 64.12 111.599 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.01 -33.36 75.64 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.501 0.72 . . . . 61.21 111.063 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 41.8 mt -73.8 -21.11 60.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.826 0.85 . . . . 60.1 111.697 174.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.21 -1.02 57.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.314 0.646 . . . . 73.34 111.819 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.14 158.94 17.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.121 0.569 . . . . 72.11 111.358 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.39 133.61 42.46 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.553 0.741 . . . . 72.24 110.224 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.602 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.4 p30 -46.25 -52.56 12.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.408 1.262 . . . . 60.52 114.408 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -52.05 -46.84 65.23 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.242 0.46 . . . . 72.52 112.242 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 9.4 m-20 -56.78 -54.92 40.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.17 0.588 . . . . 73.43 111.214 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 42' ' ' LEU . 60.7 mt -51.44 -44.63 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 124.458 1.103 . . . . 60.2 112.065 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.16 -44.07 66.26 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.56 -0.746 . . . . 71.21 111.602 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -75.7 -20.62 58.25 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.949 0.722 . . . . 73.3 112.949 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 44.1 m0 -71.84 -46.79 56.84 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.021 0.439 . . . . 73.31 110.147 170.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.72 -49.59 75.84 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.018 -0.992 . . . . 54.02 111.674 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.7 p -76.09 1.95 14.21 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.617 0.767 . . . . 75.44 112.56 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 64.99 25.69 12.69 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.671 1.188 . . . . 74.04 112.298 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.51 -72.75 0.14 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.028 0.931 . . . . 74.31 110.525 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 63.88 1.55 1.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.8 1.24 . . . . 73.12 113.938 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -79.17 -59.09 2.91 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.909 0.883 . . . . 74.2 110.65 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 t -87.38 -33.14 19.23 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 115.323 -0.853 . . . . 70.3 111.826 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.6 m -122.5 93.31 48.56 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.438 0.695 . . . . 62.22 110.237 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.23 162.47 41.68 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.19 2.593 . . . . 53.25 113.22 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 tp -92.32 123.31 62.72 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.017 0.527 . . . . 74.2 111.976 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 6.8 Cg_exo -75.65 159.4 39.04 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.896 2.397 . . . . 72.23 112.839 170.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -28.24 69.57 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.266 1.026 . . . . 71.41 112.723 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.8 ptmt -56.7 -41.31 77.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.073 0.949 . . . . 73.2 112.438 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -96.34 -18.3 20.06 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.395 0.517 . . . . 75.31 112.395 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.7 59.71 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.832 0.853 . . . . 74.34 113.137 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -111.71 5.75 19.4 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.932 0.893 . . . . 71.15 112.473 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.3 t -81.77 129.13 34.63 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.452 0.701 . . . . 73.55 111.34 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 47.1 mtpt -69.67 -37.54 76.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.775 0.43 . . . . 60.01 111.191 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 tp -49.83 -45.77 50.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.078 0.951 . . . . 72.4 111.53 177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 75' ' ' TRP . 21.6 tp -59.59 -46.17 89.73 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.807 -1.088 . . . . 71.42 111.767 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.0 -29.0 65.97 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.64 0.776 . . . . 63.31 111.889 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 15.8 mm-40 -72.5 -34.62 67.76 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.561 0.744 . . . . 52.11 110.679 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.97 -36.97 78.49 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.109 0.964 . . . . 75.35 111.189 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.65 -35.08 79.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.735 0.814 . . . . 74.2 111.699 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -62.38 -55.74 25.04 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.847 -0.615 . . . . 55.02 109.757 168.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.18 -35.97 74.51 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.912 0.708 . . . . 74.44 112.912 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 85.1 p -55.93 -37.94 69.63 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.229 0.612 . . . . 70.33 112.562 175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.67 -36.51 28.7 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.289 0.636 . . . . 72.54 110.991 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 123.517 0.727 . . . . 72.3 112.387 -175.563 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 . . . . . 0 CA--C 1.558 1.256 0 CA-C-O 120.652 0.263 . . . . 54.54 111.096 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -75.5 -47.35 27.42 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 122.937 0.495 . . . . 72.14 112.264 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -69.18 -47.42 64.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.624 0.602 . . . . 72.05 112.624 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -54.61 -51.13 66.32 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 117.814 0.279 . . . . 73.03 111.575 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.66 78.69 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.96 0.504 . . . . 64.23 111.966 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -65.08 -41.35 95.12 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.651 0.781 . . . . 70.2 111.911 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.96 -40.39 72.0 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.788 0.435 . . . . 75.02 111.976 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.537 HG12 ' HB1' ' A' ' 46' ' ' ALA . 65.2 mt -59.63 -32.83 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.703 0.763 . . . . 65.41 110.927 173.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.98 -41.84 58.74 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.159 1.384 . . . . 64.41 112.475 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -76.56 -19.13 58.22 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 123.503 0.721 . . . . 40.53 111.847 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.675 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 92.4 p -81.77 -37.66 26.83 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.609 0.719 . . . . 35.5 110.634 173.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.27 -16.67 58.88 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.006 -1.452 . . . . 74.13 110.704 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -83.54 113.49 20.84 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.142 -1.059 . . . . 70.14 108.142 161.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -152.08 171.02 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.792 0.437 . . . . 63.43 110.397 -166.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.49 -83.16 0.55 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 121.546 -0.359 . . . . 73.23 112.493 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 38' ' ' THR . 44.3 pt -78.08 155.63 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 N-CA-C 112.434 0.531 . . . . 74.41 112.434 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.34 -24.22 60.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.109 0.964 . . . . 72.0 112.345 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' ILE . 6.0 mm-40 -62.36 -51.95 65.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.999 0.519 . . . . 73.34 111.981 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' H ' HG13 ' A' ' 35' ' ' ILE . 7.4 m -74.69 -29.2 61.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.881 0.472 . . . . 40.12 111.681 176.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.46 -59.79 4.22 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.762 0.825 . . . . 73.54 111.208 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.55 -34.21 77.72 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.669 0.788 . . . . 53.24 111.648 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.05 -57.96 10.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.768 0.827 . . . . 75.02 111.108 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 62.3 mt -74.33 -28.7 61.27 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.971 0.73 . . . . 64.15 112.971 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -64.78 -52.21 58.1 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 122.825 0.45 . . . . 74.31 111.376 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.71 -38.99 95.05 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 115.971 -0.559 . . . . 71.14 112.97 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.21 -41.87 89.63 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.016 0.927 . . . . 73.34 111.003 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -68.7 -47.81 65.45 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.271 -0.877 . . . . 72.14 112.406 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.91 68.7 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.196 0.598 . . . . 70.12 112.204 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -90.16 -55.24 3.69 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.652 0.781 . . . . 73.21 112.312 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.38 -45.79 21.55 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.563 0.745 . . . . 74.11 112.875 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -59.7 -25.71 65.01 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 113.042 0.756 . . . . 73.43 113.042 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -55.68 -32.09 62.96 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.284 1.034 . . . . 64.31 112.053 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -119.9 -9.11 9.73 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.0 0.92 . . . . 73.33 112.346 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.535 ' SD ' HD23 ' A' ' 58' ' ' LEU . 52.9 ttm -71.08 137.05 48.59 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.005 0.922 . . . . 50.31 112.318 -174.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.0 m120 -73.78 159.43 32.93 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.863 0.865 . . . . 74.41 112.756 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.0 mp0 -50.16 -41.8 49.82 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.689 1.596 . . . . 73.25 112.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.67 -48.75 71.05 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 114.965 -1.016 . . . . 74.22 111.033 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.3 -31.34 70.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.721 -1.127 . . . . 61.25 111.897 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 ' SD ' ' A' ' 53' ' ' MET . 96.4 mt -59.55 -36.0 75.31 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.864 0.866 . . . . 74.14 112.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.46 -29.76 62.74 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.616 0.767 . . . . 52.23 111.275 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -69.72 -40.0 76.52 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.324 0.65 . . . . 60.12 110.208 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.458 ' HD1' HD11 ' A' ' 94' ' ' LEU . 47.0 t80 -61.46 -40.83 95.92 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.459 0.704 . . . . 74.12 111.889 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.47 -40.86 72.17 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.63 0.772 . . . . 64.04 111.525 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.7 m -58.17 -38.85 77.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.315 1.046 . . . . 51.32 112.398 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.41 -30.41 69.31 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.639 0.776 . . . . 74.11 111.855 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 14.2 mt -75.01 -15.38 60.66 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.198 0.599 . . . . 70.13 112.093 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.45 4.82 52.91 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.639 0.776 . . . . 71.35 111.676 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.81 166.66 13.41 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.756 0.822 . . . . 70.35 111.445 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.77 134.77 37.0 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.594 0.358 . . . . 51.13 110.89 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 3.3 p-10 -50.11 -54.14 22.6 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.656 1.182 . . . . 72.03 113.885 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -56.64 -39.14 73.16 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.608 0.595 . . . . 75.12 112.608 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -66.73 -52.03 49.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.931 0.493 . . . . 64.22 110.944 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 42' ' ' LEU . 66.3 mt -51.8 -41.93 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 124.286 1.035 . . . . 75.33 110.897 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.16 -47.73 81.44 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.991 -1.004 . . . . 75.25 111.734 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 83' ' ' SER . 21.8 m-85 -76.87 -12.35 59.95 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.213 0.82 . . . . 74.43 113.213 -176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.481 ' HB3' HD11 ' A' ' 95' ' ' LEU . 28.6 m0 -88.1 -34.66 17.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.652 0.381 . . . . 74.0 110.886 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -53.54 19.51 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.15 0.58 . . . . 41.02 110.962 173.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 p -79.89 170.97 15.74 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.254 -0.885 . . . . 52.52 109.623 170.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -96.14 39.68 1.14 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 75.43 112.186 -169.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -110.68 51.22 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 54.31 110.821 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -67.45 -13.26 61.88 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.89 0.876 . . . . 62.34 112.369 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -32.71 65.2 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.349 1.06 . . . . 74.14 112.912 173.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -92.44 -56.58 2.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.921 0.391 . . . . 43.43 110.243 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 57.9 m -105.58 100.92 29.26 Favored Pre-proline 0 N--CA 1.483 1.224 0 C-N-CA 123.163 0.585 . . . . 53.44 110.726 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.67 144.23 71.21 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.371 2.047 . . . . 51.22 111.664 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.3 tp -78.49 118.65 73.6 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 122.595 0.358 . . . . 64.23 110.647 -176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.623 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.5 Cg_exo -75.97 166.83 27.29 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.201 2.6 . . . . 63.13 112.94 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.61 -36.99 72.52 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.146 0.979 . . . . 74.04 112.249 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.623 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.2 ptmt -62.06 -25.36 67.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.013 0.925 . . . . 62.3 113.374 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -112.82 -9.75 13.64 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.448 0.536 . . . . 61.12 112.448 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.59 72.32 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 112.851 0.685 . . . . 71.21 112.851 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -114.27 7.33 16.44 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.29 0.636 . . . . 73.53 112.006 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -84.05 130.35 34.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.289 0.566 . . . . 55.12 112.491 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -65.56 -38.69 90.28 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.097 0.959 . . . . 74.12 111.223 174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.458 HD11 ' HD1' ' A' ' 61' ' ' TYR . 52.5 tp -51.98 -41.17 61.94 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.352 1.061 . . . . 75.22 113.149 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 75' ' ' TRP . 52.2 tp -61.11 -43.28 99.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.302 0.641 . . . . 74.43 111.487 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -68.16 -34.02 75.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.803 0.841 . . . . 73.51 110.737 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.03 -40.94 99.22 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.953 0.901 . . . . 63.13 111.091 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.53 -33.05 64.54 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.546 0.738 . . . . 72.32 111.698 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -72.25 -42.15 65.97 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.387 0.675 . . . . 73.11 112.579 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.21 -32.49 72.75 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 117.844 0.293 . . . . 61.33 110.571 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -65.95 -46.64 77.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.248 0.619 . . . . 73.25 110.908 172.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -56.39 -23.84 40.73 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.41 0.684 . . . . 55.1 111.603 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -79.45 -69.81 0.55 Allowed 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 115.798 -0.637 . . . . 74.35 110.776 167.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.495 1.823 0 C-N-CA 124.25 1.02 . . . . 71.55 113.73 -166.714 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 CA--C 1.554 1.102 0 N-CA-C 112.489 0.551 . . . . 61.33 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -71.15 -38.48 72.22 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.146 0.425 . . . . 64.43 112.146 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.97 -54.06 49.6 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.74 0.305 . . . . 71.13 110.873 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 25.9 ttp180 -55.72 -50.22 70.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.904 0.882 . . . . 72.33 111.874 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.98 95.75 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.034 0.533 . . . . 62.51 111.729 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.02 -45.33 94.08 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.924 0.89 . . . . 75.44 112.139 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 50' ' ' LEU . 86.5 mt -70.91 -42.59 69.72 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 122.677 0.391 . . . . 64.23 111.774 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.562 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.0 mt -61.23 -34.5 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 C-N-CA 123.097 0.559 . . . . 73.32 111.001 171.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 88.6 t80 -64.87 -46.81 80.27 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.274 0.63 . . . . 53.12 110.937 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HB2' HD13 ' A' ' 65' ' ' LEU . 55.8 mt-30 -78.81 -10.35 59.76 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.814 0.672 . . . . 64.22 112.814 -177.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.436 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 89.2 p -85.87 -28.53 24.33 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.232 0.539 . . . . 71.42 109.96 166.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -80.93 -13.04 59.26 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 73.4 110.942 173.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -103.45 115.11 29.92 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 107.654 -1.239 . . . . 74.33 107.654 166.338 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.58 151.4 31.5 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 122.14 -0.35 . . . . 63.04 111.481 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -44.42 97.33 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 123.408 0.442 . . . . 54.03 113.877 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 pt -118.34 151.75 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 74.24 111.394 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.05 -27.6 63.77 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 124.181 0.992 . . . . 74.34 111.825 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 -52.32 64.12 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.062 0.545 . . . . 71.45 111.849 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 73' ' ' TYR . 16.8 m -73.11 -28.01 62.02 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.232 0.613 . . . . 74.14 111.447 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.41 -58.91 5.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.156 0.983 . . . . 73.31 111.322 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.1 -33.34 75.27 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.233 0.613 . . . . 61.52 111.943 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.39 -55.43 34.91 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.933 0.893 . . . . 74.02 111.592 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 76.3 mt -74.23 -35.19 63.86 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.427 -0.806 . . . . 75.01 112.443 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -68.7 -41.98 78.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.218 0.451 . . . . 65.32 112.218 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.34 93.95 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 112.124 -0.39 . . . . 14.04 112.124 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -59.29 -41.11 88.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.105 0.962 . . . . 73.53 111.021 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.49 -44.5 67.56 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.623 0.769 . . . . 74.54 112.687 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.55 69.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.258 0.623 . . . . 74.31 112.412 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -90.38 -55.07 3.74 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.785 0.834 . . . . 72.22 112.574 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -78.77 -40.73 32.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.17 0.804 . . . . 75.24 113.17 -170.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.8 mp -62.58 -24.49 67.58 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 112.486 0.551 . . . . 64.11 112.486 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.89 -35.84 73.69 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.656 0.783 . . . . 75.41 111.76 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -116.62 -11.45 11.04 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.729 1.011 . . . . 65.52 113.729 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.1 mtm -77.89 140.59 39.33 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.533 0.606 . . . . 73.33 111.828 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.66 160.91 31.47 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.175 0.99 . . . . 71.44 109.09 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 39.0 tt0 -50.55 -42.05 54.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.049 0.94 . . . . 71.4 112.17 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.34 -42.44 73.85 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.241 1.016 . . . . 75.54 113.084 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -74.91 -34.45 62.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.561 0.744 . . . . 71.41 110.871 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -63.45 -31.09 72.15 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.61 -0.723 . . . . 44.14 112.509 170.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -67.66 -37.96 83.11 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.85 0.46 . . . . 50.14 110.541 174.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HG3' HD22 ' A' ' 94' ' ' LEU . 5.5 tp10 -66.0 -37.1 85.07 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.357 -0.838 . . . . 64.4 111.049 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.22 -32.59 74.34 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.479 0.312 . . . . 72.14 111.771 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.87 -38.39 82.06 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.238 0.615 . . . . 51.3 110.771 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -59.89 -37.81 80.44 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.815 0.846 . . . . 61.43 111.696 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.84 -34.91 77.64 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.525 0.73 . . . . 72.13 111.17 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' GLN . 77.1 mt -73.3 -21.74 60.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.293 0.637 . . . . 72.34 111.625 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.55 -7.41 58.47 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.554 0.742 . . . . 64.15 112.025 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -88.96 177.28 6.71 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.431 0.692 . . . . 72.2 110.895 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 mt -92.59 137.87 31.99 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.493 0.717 . . . . 65.44 111.122 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -48.25 -55.05 11.53 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.998 1.11 . . . . 34.14 113.998 -176.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.68 -43.57 93.95 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 112.345 0.498 . . . . 54.24 112.345 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.131 0.572 . . . . 71.22 111.445 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.1 -43.06 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 124.205 1.002 . . . . 61.11 111.219 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 74.8 t80 -59.89 -45.81 91.32 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.224 1.01 . . . . 74.43 111.394 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.2 -23.15 51.48 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.84 0.681 . . . . 75.51 112.84 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.528 ' HB3' HD11 ' A' ' 95' ' ' LEU . 35.0 m0 -77.33 -40.4 44.32 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.878 0.371 . . . . 75.54 110.841 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.51 65.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.657 0.783 . . . . 51.25 111.644 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.4 p -74.81 -2.31 26.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.477 0.711 . . . . 72.01 112.679 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttm 64.24 30.63 13.46 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.869 1.268 . . . . 60.12 111.943 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.37 -71.73 0.19 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.529 0.732 . . . . 34.42 110.589 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.14 -12.96 0.22 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.983 1.475 . . . . 62.25 114.983 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -59.94 -54.66 43.49 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.786 1.234 . . . . 54.51 111.377 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -82.98 -38.65 22.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.383 -0.826 . . . . 73.24 110.877 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 m -128.79 91.62 42.57 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 114.695 -1.139 . . . . 51.54 110.246 -174.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -62.31 162.56 23.2 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.276 2.651 . . . . 54.34 113.619 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -92.28 125.53 56.05 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 123.495 0.718 . . . . 75.54 112.379 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.41 152.09 79.35 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 123.404 2.736 . . . . 72.12 112.891 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.52 -38.86 88.92 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.77 0.828 . . . . 61.44 112.774 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -70.1 -9.13 54.5 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 112.871 0.693 . . . . 72.01 112.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HB3' HD22 ' A' ' 95' ' ' LEU . 11.7 m95 -100.87 -33.38 10.24 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.079 0.4 . . . . 73.23 112.079 170.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.71 66.47 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.287 0.635 . . . . 73.41 112.585 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.56 18.27 22.15 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.506 0.722 . . . . 72.43 111.915 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.4 t -93.05 133.77 35.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.392 0.677 . . . . 54.02 110.858 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -69.69 -36.88 76.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.648 0.379 . . . . 64.24 110.838 174.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 60' ' ' GLU . 39.8 tp -54.72 -45.11 74.02 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.719 0.808 . . . . 64.22 111.855 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 89' ' ' TRP . 26.3 tp -60.42 -43.92 96.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.847 -0.615 . . . . 72.31 111.261 176.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.41 -33.51 76.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.138 0.575 . . . . 73.41 111.69 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.08 -34.37 68.63 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.552 0.741 . . . . 72.25 110.917 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.05 -34.11 72.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.625 0.77 . . . . 74.45 110.603 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -69.4 -39.99 77.6 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.962 0.905 . . . . 72.5 111.161 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -57.74 -52.4 65.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.443 0.697 . . . . 73.21 111.013 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -64.56 -47.0 80.38 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.97 -0.559 . . . . 73.21 111.754 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -59.73 -38.52 81.94 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.857 0.688 . . . . 74.23 112.857 -173.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.42 -32.29 37.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.328 0.251 . . . . 75.32 111.492 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 N--CA 1.493 1.682 0 C-N-CA 123.807 0.843 . . . . 74.24 111.95 -176.828 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 111.668 0.247 . . . . 74.54 111.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -71.79 -29.49 64.52 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 119.059 -0.496 . . . . 74.12 112.126 173.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.6 -47.07 76.93 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 118.17 0.441 . . . . 52.32 110.039 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 14.1 ttp180 -56.1 -48.57 75.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.918 0.887 . . . . 65.04 111.156 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.341 0.656 . . . . 73.42 112.02 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -66.66 -38.13 86.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.906 0.882 . . . . 64.34 111.911 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 65' ' ' LEU . 95.6 mt -72.72 -37.87 67.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.875 0.47 . . . . 73.12 111.26 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG13 HD22 ' A' ' 50' ' ' LEU . 69.7 mt -63.09 -31.9 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 122.837 0.455 . . . . 74.33 110.772 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -69.98 -46.51 65.05 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.497 0.719 . . . . 74.02 111.528 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 65' ' ' LEU . 28.7 mt-30 -66.49 -31.28 71.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.431 0.692 . . . . 72.11 111.648 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 82.7 p -72.27 -44.64 62.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.329 0.652 . . . . 72.53 111.724 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -78.61 -0.9 31.68 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.505 -0.77 . . . . 71.0 111.994 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -110.66 110.04 20.55 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.421 -0.955 . . . . 75.02 108.421 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -149.65 -157.84 0.86 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.346 1.058 . . . . 75.24 109.991 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.18 2.88 10.6 Favored Glycine 0 N--CA 1.479 1.54 0 N-CA-C 114.193 0.437 . . . . 52.33 114.193 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 pt -146.71 120.66 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.032 0.933 . . . . 74.21 110.058 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.4 tp -55.22 -27.8 48.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.232 0.827 . . . . 50.34 113.232 -171.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.31 -52.1 63.32 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.78 0.432 . . . . 71.01 111.672 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 m -74.21 -31.44 62.63 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.78 0.432 . . . . 74.11 111.799 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.95 -54.79 38.21 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.875 0.47 . . . . 72.45 111.04 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.17 -33.61 70.17 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.17 0.588 . . . . 72.34 112.225 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.1 -58.46 8.54 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 123.461 0.704 . . . . 73.45 111.024 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 85.4 mt -74.31 -28.95 61.4 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.259 0.624 . . . . 74.24 112.601 -177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 t -64.83 -53.15 51.36 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.394 0.543 . . . . 61.44 111.164 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.95 98.33 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.45 -0.795 . . . . 71.11 112.591 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.95 -44.64 96.33 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.574 0.75 . . . . 75.32 111.183 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.0 -47.23 63.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.777 0.658 . . . . 72.03 112.777 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.1 68.46 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.951 0.501 . . . . 73.43 112.192 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -90.6 -54.86 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.408 1.083 . . . . 71.14 111.541 -177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -81.3 -42.82 20.04 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.237 1.015 . . . . 74.54 113.732 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.712 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.4 mp -59.09 -26.83 65.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.65 1.114 . . . . 75.35 112.1 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.27 -31.08 69.35 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.436 1.094 . . . . 71.13 111.987 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -27.51 16.5 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.714 0.635 . . . . 71.1 112.714 171.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.455 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 66.1 mtm -79.84 144.96 33.03 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.078 0.77 . . . . 65.32 113.078 -170.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 30.3 p30 -90.06 179.7 5.88 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.683 0.793 . . . . 72.12 111.405 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.42 -45.88 46.87 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.495 1.118 . . . . 74.32 112.53 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.12 -37.26 85.29 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.462 1.105 . . . . 62.12 112.05 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 39.3 mt-10 -75.8 -39.26 57.2 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.241 0.617 . . . . 52.43 111.811 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.712 HD22 ' HG ' ' A' ' 50' ' ' LEU . 14.0 mt -59.6 -39.72 85.13 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 113.148 0.796 . . . . 72.53 113.148 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.28 -28.46 59.78 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.112 -0.368 . . . . 71.0 111.477 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -65.09 -38.61 91.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 109.428 -0.582 . . . . 70.1 109.428 169.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.71 -35.19 74.82 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.491 0.716 . . . . 74.25 112.26 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.93 -39.9 82.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.179 0.592 . . . . 74.5 110.437 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -61.86 -36.88 82.54 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.609 -0.723 . . . . 71.05 111.716 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 98' ' ' LEU . 39.6 tp -70.64 -31.55 68.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.276 0.63 . . . . 74.35 111.178 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 86.7 mt -73.23 -25.66 60.82 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.598 0.359 . . . . 61.03 111.495 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -78.26 -4.1 46.17 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.263 0.625 . . . . 62.11 111.61 171.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -87.31 173.27 9.27 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.596 0.712 . . . . 53.31 112.346 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.0 mt -82.91 135.81 34.79 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.645 -1.161 . . . . 65.1 112.315 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.84 -64.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 125.742 1.617 . . . . 74.34 113.858 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -64.61 -39.61 94.02 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 112.854 0.687 . . . . 75.23 112.854 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.25 -43.04 99.74 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.964 0.505 . . . . 73.44 111.303 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.29 -44.83 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 C-N-CA 123.766 0.826 . . . . 60.04 111.411 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -65.07 -40.05 94.14 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.626 -0.715 . . . . 74.1 111.547 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.63 -25.85 59.5 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.525 0.565 . . . . 73.12 112.525 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.7 m0 -80.32 -34.68 36.52 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.576 0.35 . . . . 75.11 110.796 174.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.437 0.695 . . . . 64.22 111.155 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.2 p -90.54 -172.23 3.34 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.139 -0.937 . . . . 75.01 109.838 170.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -102.22 31.75 3.83 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.611 -0.68 . . . . 73.43 111.299 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.43 41.16 1.04 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.077 0.951 . . . . 72.15 111.287 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.49 -17.04 63.57 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.793 0.837 . . . . 63.4 111.844 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.75 -47.41 86.45 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.668 0.787 . . . . 73.53 110.744 167.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.45 -48.47 40.69 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.524 0.73 . . . . 55.24 111.31 -175.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -128.93 116.66 19.13 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 123.365 0.666 . . . . 75.25 110.129 174.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.6 145.55 58.43 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.481 2.121 . . . . 74.04 112.572 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.2 123.31 84.79 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 123.044 0.537 . . . . 72.44 111.717 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.11 149.23 76.51 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.001 2.467 . . . . 63.4 112.384 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.71 -33.32 73.82 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.917 0.887 . . . . 74.04 112.759 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -29.46 65.31 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.769 0.828 . . . . 64.34 112.966 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.93 -24.57 14.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.995 0.518 . . . . 72.53 111.434 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.96 63.6 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.69 0.796 . . . . 42.54 112.631 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.16 7.17 15.28 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.853 0.861 . . . . 65.21 112.549 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 p -90.73 135.13 33.92 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.801 0.441 . . . . 70.32 111.367 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -70.17 -37.03 75.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 122.903 0.481 . . . . 74.13 111.203 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.15 -44.49 67.84 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.966 0.906 . . . . 65.04 112.402 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 75' ' ' TRP . 37.6 tp -55.54 -45.51 77.2 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.759 -0.655 . . . . 73.13 111.512 176.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -67.17 -34.05 76.71 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.867 -0.606 . . . . 75.43 111.114 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.27 -37.42 85.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.74 . . . . 64.23 111.329 173.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 64' ' ' LEU . 45.0 tp -67.5 -39.87 85.16 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.943 0.897 . . . . 74.1 110.699 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.54 -43.37 90.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.231 1.012 . . . . 64.12 111.652 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.48 -49.89 74.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.965 0.506 . . . . 72.22 110.53 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.71 -36.16 80.13 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.367 0.267 . . . . 70.03 111.531 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 t -56.18 -42.31 76.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.046 0.538 . . . . 64.24 112.079 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.96 -29.04 35.44 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.709 0.262 . . . . 63.23 111.709 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 112.642 0.608 . . . . 72.32 112.642 -179.521 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 112.124 0.416 . . . . 75.44 112.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.04 -44.76 88.02 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.989 0.516 . . . . 61.54 112.192 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 81.5 tttt -61.35 -50.43 72.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.827 0.451 . . . . 75.42 111.094 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -57.07 -48.36 78.76 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.698 0.799 . . . . 72.3 111.395 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.44 79.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.214 0.606 . . . . 74.24 111.638 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -67.61 -40.46 84.71 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.775 0.83 . . . . 71.22 112.33 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.63 HD12 HD22 ' A' ' 58' ' ' LEU . 31.0 mt -72.73 -40.72 65.86 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 122.104 -0.373 . . . . 74.3 111.525 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.666 HG12 ' HB1' ' A' ' 46' ' ' ALA . 82.0 mt -58.47 -39.45 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 123.919 0.887 . . . . 60.42 110.687 171.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -60.8 -55.5 32.34 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.127 0.971 . . . . 72.42 111.72 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.633 ' HB2' HD13 ' A' ' 65' ' ' LEU . 54.3 mt-30 -68.27 -24.04 64.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.747 0.819 . . . . 64.11 113.101 -174.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 93.7 p -73.02 -29.47 63.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.912 0.386 . . . . 74.15 111.061 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 67.9 mtp180 -85.13 -19.93 31.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.736 -0.666 . . . . 72.15 111.682 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -86.15 106.58 17.37 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.906 -1.146 . . . . 74.52 107.906 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' A' ' 69' ' ' ASP . 12.7 mmm180 -145.87 171.75 14.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.472 0.709 . . . . 74.43 110.254 -173.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.81 -47.33 56.12 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 115.668 -0.696 . . . . 75.32 112.408 169.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.9 pt -109.27 139.17 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-O 121.502 0.668 . . . . 75.23 112.096 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -11.87 60.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.987 0.915 . . . . 74.43 112.072 173.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 35' ' ' ILE . 18.0 mm-40 -57.66 -50.51 72.94 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.411 0.685 . . . . 71.51 110.677 172.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.6 m -72.66 -28.19 62.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.797 0.839 . . . . 72.23 111.857 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -48.69 69.41 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.886 0.474 . . . . 73.5 110.872 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -58.21 -34.1 70.03 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.349 0.66 . . . . 74.12 112.483 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -72.56 -59.41 2.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.367 0.667 . . . . 74.11 111.793 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 67.6 mt -74.98 -25.19 58.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.992 0.917 . . . . 71.33 113.397 -172.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 t -65.2 -52.19 56.32 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 122.956 0.502 . . . . 71.31 111.49 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.26 94.74 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.999 -0.546 . . . . 71.24 113.073 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.75 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.68 0.792 . . . . 72.12 111.501 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -72.17 -45.96 58.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.976 0.511 . . . . 64.23 112.369 -175.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.08 72.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.221 0.608 . . . . 74.34 112.106 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -87.19 -54.99 4.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.779 0.832 . . . . 74.14 112.285 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.81 -49.95 16.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.127 0.571 . . . . 64.54 112.172 -173.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 27' ' ' ILE . 9.2 mp -60.89 -23.96 65.61 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 113.072 0.767 . . . . 71.11 113.072 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -55.76 -33.46 64.33 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.453 0.701 . . . . 75.13 111.607 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -121.81 -1.51 9.42 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.096 0.958 . . . . 62.02 112.496 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD23 ' A' ' 58' ' ' LEU . 53.1 ttm -76.91 138.76 39.92 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.725 0.81 . . . . 72.13 112.486 -174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.52 165.94 13.5 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.188 0.995 . . . . 73.13 110.821 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 20.3 mt-10 -59.42 -36.47 75.94 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.558 0.948 . . . . 54.13 113.558 -173.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.4 pt-20 -54.91 -44.95 74.64 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.959 0.904 . . . . 62.44 112.05 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 26.3 mt-10 -76.21 -32.99 59.25 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.85 0.86 . . . . 75.41 111.107 176.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.63 HD22 HD12 ' A' ' 26' ' ' LEU . 88.5 mt -63.74 -29.24 70.48 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.958 0.903 . . . . 62.43 112.591 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 71.2 mm-40 -64.96 -44.15 90.34 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.67 0.747 . . . . 63.22 110.44 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -71.12 -33.45 70.13 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.027 -0.988 . . . . 74.41 110.64 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 46' ' ' ALA . 71.5 t80 -68.01 -35.13 77.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.172 0.589 . . . . 71.34 111.77 174.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.99 -42.79 99.94 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.69 0.396 . . . . 61.54 110.084 174.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -57.42 -31.96 66.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.588 0.755 . . . . 44.35 112.056 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.0 tp -70.46 -35.46 73.34 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.395 0.678 . . . . 73.23 111.429 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 29' ' ' GLN . 20.8 mt -65.19 -33.19 75.42 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.394 0.678 . . . . 72.12 110.329 175.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.8 -22.4 64.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.143 0.977 . . . . 74.53 112.465 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.73 175.53 9.86 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.58 0.752 . . . . 71.23 111.948 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.03 135.85 36.06 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.753 0.421 . . . . 74.33 110.821 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' ' HE ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -52.83 -47.51 67.66 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.089 1.356 . . . . 62.01 114.492 -172.051 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -53.84 -49.22 68.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.862 0.465 . . . . 70.1 111.943 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.35 -44.27 92.0 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.504 0.721 . . . . 61.34 111.482 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.2 mt -52.04 -46.67 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 124.058 0.943 . . . . 71.01 111.188 175.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -68.49 -38.82 81.33 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.421 -0.809 . . . . 74.12 112.08 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -73.11 -23.41 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.499 0.555 . . . . 75.13 112.499 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -83.18 -34.45 25.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.029 0.532 . . . . 64.32 110.774 173.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.68 77.84 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.428 0.691 . . . . 34.52 112.021 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -97.44 175.91 6.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.84 0.856 . . . . 32.4 109.829 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -89.0 65.21 7.43 Favored 'General case' 0 CA--C 1.559 1.294 0 O-C-N 121.802 -0.561 . . . . 53.54 109.616 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -127.84 41.32 3.53 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.402 1.081 . . . . 51.24 109.638 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.38 -26.38 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.146 0.979 . . . . 72.5 112.457 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -20.85 59.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.286 0.235 . . . . 65.4 111.624 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -79.61 -54.48 5.84 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 70.33 109.354 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.5 m -124.19 107.38 30.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 123.821 0.848 . . . . 72.1 109.479 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.09 135.64 60.08 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.068 2.512 . . . . 74.14 113.014 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.73 123.87 89.75 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 122.841 0.456 . . . . 51.24 110.932 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.83 162.34 14.07 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.457 2.105 . . . . 73.32 112.165 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.28 -34.12 71.9 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.889 0.876 . . . . 75.32 112.826 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.68 63.52 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.694 0.798 . . . . 73.0 112.749 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -106.29 -23.3 12.59 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.207 0.817 . . . . 74.1 113.207 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.26 68.97 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.85 0.86 . . . . 52.11 112.536 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -98.6 0.67 45.31 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.044 0.938 . . . . 72.42 113.425 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -73.67 137.99 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.425 0.898 . . . . 74.11 113.425 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 11.3 mmpt? -65.29 -48.75 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.502 -0.772 . . . . 72.24 110.031 170.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 19.1 tp -53.88 -43.5 69.64 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.18 1.392 . . . . 75.43 113.456 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' TRP . 26.0 tp -59.93 -43.93 94.65 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.333 -0.394 . . . . 64.11 111.768 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -70.95 -30.91 67.33 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.273 -0.421 . . . . 73.24 111.333 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 75.1 mm-40 -60.9 -46.83 89.09 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.186 0.517 . . . . 74.2 109.827 169.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.42 -38.91 81.67 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.691 1.196 . . . . 70.45 112.213 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -66.88 -50.81 61.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.559 0.744 . . . . 74.54 112.301 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.2 -24.05 61.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.111 -0.495 . . . . 64.43 111.553 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -74.08 -46.44 42.98 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.83 0.452 . . . . 73.34 111.34 169.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -57.38 -50.99 71.21 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.756 0.823 . . . . 70.32 112.347 -173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.06 -22.57 63.06 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 62.43 112.848 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 113.172 0.804 . . . . 74.33 113.172 -177.105 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.554 1.1 0 CA-C-O 120.511 0.196 . . . . 72.14 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -72.36 -25.33 61.48 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.135 0.42 . . . . 74.03 112.135 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 33.4 ttmt -65.05 -51.52 61.05 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.844 0.293 . . . . 75.52 110.454 172.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.497 ' HA ' HD23 ' A' ' 50' ' ' LEU . 30.5 mtm180 -51.22 -52.02 48.48 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.674 0.609 . . . . 71.42 111.5 173.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.01 80.96 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.283 0.633 . . . . 43.33 111.951 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -64.91 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.662 1.185 . . . . 62.31 112.54 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.8 mt -79.45 -41.97 26.39 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 122.04 -0.412 . . . . 61.3 111.897 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.732 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.4 mt -59.95 -28.8 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.801 0.81 . . . . 64.13 110.942 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.83 -48.02 60.57 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.312 1.045 . . . . 74.44 111.812 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' HD13 ' A' ' 65' ' ' LEU . 42.7 mt-30 -75.77 -24.1 55.99 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 112.171 0.434 . . . . 75.55 112.171 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 94.6 p -68.73 -36.01 77.85 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.909 0.484 . . . . 54.22 111.88 -178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.54 -1.28 55.6 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 115.615 -0.72 . . . . 73.11 112.31 177.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -83.3 110.69 18.32 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.392 -0.966 . . . . 71.51 108.392 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' NE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -150.9 152.77 34.13 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.287 0.635 . . . . 74.43 111.783 -170.791 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.45 -25.56 60.89 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.021 -0.536 . . . . 64.03 112.948 171.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -129.33 153.19 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 123.865 0.866 . . . . 61.25 112.002 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 tp -72.11 -27.45 62.64 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.688 -0.687 . . . . 70.54 111.732 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 35' ' ' ILE . 43.3 mm-40 -56.64 -52.71 63.84 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.398 0.518 . . . . 63.15 112.398 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -74.4 -27.76 60.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.914 0.486 . . . . 62.25 111.917 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.29 -51.25 70.75 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.656 0.382 . . . . 72.31 111.433 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.5 -28.76 69.53 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.678 0.791 . . . . 64.43 111.547 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.9 tp -72.33 -60.7 2.1 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.878 0.871 . . . . 62.1 111.767 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.696 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 66.9 mt -75.99 -39.19 56.38 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.755 1.02 . . . . 74.43 113.755 -171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.9 t -63.15 -44.86 94.35 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 118.241 0.473 . . . . 64.43 111.438 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.4 77.45 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 116.152 -0.476 . . . . 71.21 113.318 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.19 -39.63 79.44 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.774 0.83 . . . . 70.44 110.646 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.29 -37.01 74.73 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.115 -0.948 . . . . 61.11 112.021 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.55 -25.14 61.26 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.841 0.682 . . . . 75.24 112.841 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -92.81 -55.75 3.25 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 112.732 0.642 . . . . 62.54 112.732 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.99 -47.18 12.99 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.99 1.107 . . . . 74.43 113.99 -167.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.3 mp -54.58 -32.55 58.78 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.528 0.936 . . . . 75.33 113.528 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -55.89 -33.38 64.58 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 74.43 112.549 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -119.22 -0.51 11.01 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.79 0.836 . . . . 64.34 112.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.545 ' SD ' HD23 ' A' ' 58' ' ' LEU . 49.0 ttm -74.99 140.13 43.41 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.68 0.792 . . . . 73.42 111.993 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -80.53 161.83 24.62 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.454 0.702 . . . . 71.24 111.478 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 43.7 tt0 -61.21 -27.68 68.61 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.471 0.708 . . . . 74.13 111.74 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -54.45 -50.12 68.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.185 0.994 . . . . 74.2 111.922 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.8 -29.29 40.27 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.234 0.827 . . . . 64.03 113.234 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD23 ' SD ' ' A' ' 53' ' ' MET . 86.8 mt -63.45 -37.45 87.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 119.179 0.9 . . . . 71.25 112.263 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.87 -31.39 68.06 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 120.739 0.305 . . . . 75.55 111.079 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.82 -36.62 67.56 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.512 0.725 . . . . 75.42 110.763 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 57.5 t80 -69.27 -37.03 77.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.69 0.796 . . . . 74.3 110.869 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.74 -37.86 83.2 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.795 -0.639 . . . . 63.23 110.564 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -64.21 -38.03 89.61 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.539 0.736 . . . . 64.21 111.804 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.79 -28.61 69.14 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.761 0.825 . . . . 73.02 111.2 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.9 mt -78.37 -0.57 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.413 0.685 . . . . 73.42 112.517 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -107.81 9.18 28.99 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.527 0.731 . . . . 60.11 111.903 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -85.46 -163.06 0.79 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.172 0.589 . . . . 71.13 110.567 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -110.83 137.95 47.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.522 0.729 . . . . 74.45 110.37 172.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.581 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -45.95 -54.33 8.47 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.857 1.058 . . . . 74.43 113.857 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.94 -47.61 67.95 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.582 0.586 . . . . 72.02 112.582 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.96 -48.21 74.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.525 0.33 . . . . 63.42 111.264 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.03 -42.73 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 123.992 0.917 . . . . 62.05 111.219 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -65.75 -42.82 90.47 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.077 -0.965 . . . . 71.12 111.711 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -74.57 -26.72 60.13 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.216 0.45 . . . . 65.13 112.216 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.499 ' HB3' HD11 ' A' ' 95' ' ' LEU . 38.5 m0 -72.05 -44.02 64.0 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.879 0.371 . . . . 60.12 110.606 174.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -51.59 51.17 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.814 0.845 . . . . 30.35 112.856 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.9 p -72.19 -10.78 60.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.902 0.481 . . . . 75.53 112.296 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HE2' ' A' ' 80' ' ' PHE . 11.3 tmtt? 62.88 57.81 1.63 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.618 1.167 . . . . 75.14 109.208 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -134.93 65.79 1.55 Allowed 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 114.024 -1.444 . . . . 65.53 108.661 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HE2' ' HG2' ' A' ' 78' ' ' LYS . 67.6 m-85 -80.95 17.91 1.12 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.082 -0.963 . . . . 74.21 113.058 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -23.76 54.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.668 0.988 . . . . 73.31 113.668 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -131.45 -30.02 1.72 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.633 0.773 . . . . 73.23 111.449 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 95.41 49.12 Favored Pre-proline 0 N--CA 1.489 1.478 0 C-N-CA 123.43 0.692 . . . . 65.14 111.017 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.0 168.44 20.55 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.16 2.573 . . . . 62.3 113.359 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 26.7 tp -89.59 121.46 69.14 Favored Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 123.246 0.618 . . . . 70.03 111.725 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 15.3 Cg_exo -72.28 174.13 11.97 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.681 2.921 . . . . 55.01 113.767 174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.11 -48.03 66.59 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.236 1.014 . . . . 70.53 113.037 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -67.62 -16.14 64.01 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.549 0.944 . . . . 71.14 113.549 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -100.85 -17.51 16.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.858 0.463 . . . . 73.21 111.355 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.96 111.21 2.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.03 0.532 . . . . 40.32 110.056 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 69.81 23.86 5.51 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.206 1.403 . . . . 54.03 112.722 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -81.19 129.64 34.67 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.875 0.47 . . . . 71.14 109.893 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 26.0 ttpp -67.61 -38.31 83.78 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 119.208 -0.425 . . . . 65.41 111.005 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.9 tp -52.1 -42.48 63.28 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.986 0.914 . . . . 51.31 111.729 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 75' ' ' TRP . 62.6 tp -57.85 -50.76 72.23 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.892 -1.049 . . . . 52.34 111.42 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -65.79 -31.45 72.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.936 0.494 . . . . 73.2 112.088 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 13.2 mm100 -61.75 -43.34 99.05 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.598 0.713 . . . . 73.4 109.888 171.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -71.43 -34.93 70.73 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.909 1.284 . . . . 73.34 111.742 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.35 -43.1 78.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.012 0.925 . . . . 75.54 111.439 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -65.09 -38.49 90.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.952 0.501 . . . . 74.01 110.858 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.96 -40.81 96.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.636 0.375 . . . . 70.01 111.553 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.8 t -58.4 -29.1 65.79 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.05 0.54 . . . . 74.51 112.105 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.44 -13.45 60.39 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.696 0.798 . . . . 74.35 112.156 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 124.315 1.046 . . . . 52.32 112.019 178.666 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.507 0.194 . . . . 74.12 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -64.85 -39.7 93.98 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 116.515 -0.311 . . . . 73.31 111.391 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -64.46 -40.96 96.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.516 0.726 . . . . 64.35 111.406 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 47.3 ttp180 -56.16 -49.06 75.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.604 0.762 . . . . 72.14 111.024 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.93 95.95 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.97 -0.559 . . . . 51.1 111.969 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -64.19 -36.55 84.41 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.258 1.023 . . . . 63.23 111.976 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HB2' HD21 ' A' ' 50' ' ' LEU . 69.6 mt -73.16 -43.21 61.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.53 0.332 . . . . 65.3 111.681 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 50' ' ' LEU . 65.4 mt -60.32 -37.03 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.252 0.548 . . . . 53.34 110.209 173.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -61.33 -48.76 79.86 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.078 0.951 . . . . 74.12 111.454 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -69.62 -19.08 63.64 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.774 0.829 . . . . 70.52 112.43 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 m -76.46 -33.46 58.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.434 0.693 . . . . 71.11 110.561 172.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -82.39 -14.88 54.49 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.08 0.952 . . . . 70.55 111.584 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -85.98 110.7 19.65 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.513 -0.921 . . . . 63.31 108.513 166.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.33 -178.09 6.04 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 74.5 109.699 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.33 -18.43 5.81 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.079 -0.51 . . . . 34.41 112.857 168.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.78 133.77 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 124.039 0.936 . . . . 65.25 111.174 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.23 -33.99 77.07 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.122 0.969 . . . . 60.13 112.472 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -60.21 -46.11 90.87 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.229 0.538 . . . . 73.24 111.166 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -73.75 -31.93 63.59 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.714 -0.675 . . . . 71.4 111.752 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.57 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 34.8 t70 -65.34 -53.92 36.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.226 1.01 . . . . 64.0 111.437 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.33 -40.85 75.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.941 0.896 . . . . 71.02 111.428 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -58.94 5.18 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.971 0.908 . . . . 70.2 112.523 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 33' ' ' ARG . 76.3 mt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 112.886 0.699 . . . . 74.22 112.886 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.3 m -64.87 -42.64 94.67 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.375 0.27 . . . . 72.42 111.652 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.98 80.96 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 116.22 -0.445 . . . . 35.31 112.749 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -60.78 -39.34 88.49 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.736 0.814 . . . . 71.41 110.612 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.16 -39.15 78.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.401 0.68 . . . . 75.41 112.118 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.86 92.65 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.617 -0.72 . . . . 64.04 111.943 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.84 -55.92 3.73 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.391 0.676 . . . . 73.33 112.644 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.77 -31.74 46.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.379 1.251 . . . . 71.43 114.379 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.7 mp -64.51 -19.89 65.87 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.822 0.737 . . . . 74.31 112.534 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.72 -37.02 70.68 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 122.942 0.497 . . . . 70.41 112.047 172.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -92.09 -24.86 19.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.543 0.942 . . . . 64.52 113.543 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.8 mtm -84.28 141.13 31.17 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.24 0.83 . . . . 73.22 113.24 -171.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -86.99 167.22 14.44 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.393 1.077 . . . . 74.32 109.348 171.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.57 -31.92 62.57 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.459 0.704 . . . . 72.4 112.659 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -52.88 -47.59 67.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 123.638 0.775 . . . . 73.05 112.089 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 30.4 mt-10 -78.02 -34.32 50.7 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.269 1.027 . . . . 71.42 111.23 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' HG ' ' A' ' 50' ' ' LEU . 35.9 mt -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.236 1.014 . . . . 74.55 113.642 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -75.38 -29.84 59.96 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.644 0.377 . . . . 74.42 111.121 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -68.63 -35.43 77.27 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.294 0.569 . . . . 72.52 109.579 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.4 t80 -68.3 -36.26 79.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.181 0.592 . . . . 72.31 111.571 176.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.88 -37.97 86.56 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.792 0.437 . . . . 62.21 110.187 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 58.6 m -64.84 -30.07 71.06 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.685 0.794 . . . . 71.44 112.103 173.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD21 HD22 ' A' ' 98' ' ' LEU . 45.9 tp -75.45 -37.32 60.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.326 0.65 . . . . 63.3 111.244 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 71.1 mt -68.09 -28.24 67.17 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.79 0.805 . . . . 74.05 110.303 173.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.63 -20.1 64.45 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.92 1.288 . . . . 72.24 111.999 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 63' ' ' SER . 19.8 mm-40 -80.0 172.74 13.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 113.761 1.022 . . . . 75.43 113.761 -175.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.69 126.25 30.68 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.22 -1.355 . . . . 74.31 111.347 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.91 -66.73 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 115.09 1.515 . . . . 63.23 115.09 -171.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -53.71 -40.5 66.1 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.063 0.392 . . . . 73.13 111.625 -177.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 -42.91 93.86 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.761 -0.654 . . . . 72.01 110.957 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 42' ' ' LEU . 75.1 mt -53.59 -45.47 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 C-N-CA 123.918 0.887 . . . . 64.25 111.073 174.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -66.89 -40.83 87.88 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.225 -0.898 . . . . 74.43 111.917 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -76.68 -29.06 56.18 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.465 0.543 . . . . 70.22 112.465 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -75.22 -32.38 61.13 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.959 0.504 . . . . 74.42 110.742 173.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.57 76.1 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.431 0.692 . . . . 71.41 111.821 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -95.83 172.76 7.82 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.271 0.628 . . . . 75.24 110.675 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -89.9 69.37 7.48 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 108.069 -1.086 . . . . 73.13 108.069 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -147.8 77.93 1.44 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.956 0.884 . . . . 73.34 109.918 -175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -103.72 0.4 30.48 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 115.338 -0.847 . . . . 64.33 112.164 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 -18.87 60.87 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.046 0.538 . . . . 72.03 112.124 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -106.75 -35.2 7.05 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.774 0.83 . . . . 64.42 111.551 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.8 m -130.88 97.12 21.1 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 123.63 0.772 . . . . 64.52 110.142 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.77 146.82 96.37 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.046 2.497 . . . . 64.13 112.454 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 28.0 tp -84.17 117.51 68.88 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 122.873 0.469 . . . . 72.53 111.034 -177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.534 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 5.7 Cg_exo -76.68 163.78 31.16 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.079 2.519 . . . . 75.11 111.932 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.7 -38.05 71.76 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.833 0.853 . . . . 72.51 112.181 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -59.44 -28.46 66.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.232 1.013 . . . . 75.21 113.652 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -114.44 -4.87 12.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 122.079 -0.388 . . . . 73.11 111.951 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.32 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.801 0.841 . . . . 73.34 112.493 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -121.75 12.23 10.58 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.969 0.908 . . . . 74.02 111.808 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -77.37 119.39 20.93 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.226 0.611 . . . . 74.42 111.771 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.65 -32.33 70.94 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.245 0.34 . . . . 70.23 110.857 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.04 -43.35 81.89 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.487 0.715 . . . . 63.14 111.534 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.61 -39.85 95.41 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.843 -0.617 . . . . 74.14 111.085 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.36 -37.73 88.39 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.011 0.524 . . . . 54.54 110.897 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -64.11 -38.63 91.74 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.989 0.916 . . . . 62.02 111.056 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 64' ' ' LEU . 35.9 tp -69.7 -33.67 72.84 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.309 1.044 . . . . 75.33 111.067 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.46 -41.33 69.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.858 0.863 . . . . 74.22 111.422 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.85 -40.62 95.96 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.544 0.738 . . . . 64.3 111.179 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.06 -49.61 55.85 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.893 -0.594 . . . . 74.54 111.356 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -56.59 -40.29 75.01 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.701 0.801 . . . . 71.11 112.748 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.74 -29.79 51.3 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.116 0.566 . . . . 73.02 111.898 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 N--CA 1.492 1.626 0 C-N-CA 123.377 0.671 . . . . 70.12 112.024 179.298 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 CA--C 1.557 1.247 0 N-CA-C 111.605 0.224 . . . . 74.11 111.605 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -74.69 -30.26 61.5 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.62 0.368 . . . . 75.4 111.64 173.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' HE3' HD11 ' A' ' 26' ' ' LEU . 35.3 tttp -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.919 0.487 . . . . 71.35 110.267 170.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -52.81 -50.74 63.06 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.604 1.162 . . . . 63.12 111.428 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.56 84.97 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.273 0.629 . . . . 53.32 112.134 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -71.41 -33.35 69.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.263 0.625 . . . . 73.24 112.029 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' HE3' ' A' ' 22' ' ' LYS . 93.4 mt -66.0 -45.36 81.87 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.408 -0.182 . . . . 63.34 110.519 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.542 HG12 ' HB1' ' A' ' 46' ' ' ALA . 70.8 mt -56.94 -39.05 62.89 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 123.709 0.804 . . . . 71.33 111.116 173.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -65.17 -39.07 92.42 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.525 1.13 . . . . 74.11 112.118 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.7 mt-30 -79.95 -16.38 55.37 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.884 0.874 . . . . 71.23 111.77 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -72.75 -35.99 67.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.818 0.847 . . . . 74.44 109.983 169.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -80.16 -10.32 59.76 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.765 -1.107 . . . . 51.42 112.59 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 59.7 mttm -101.73 112.74 25.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.023 -0.732 . . . . 63.34 109.023 167.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -150.74 158.83 44.61 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.558 0.743 . . . . 74.3 110.54 -173.632 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.9 -31.34 69.9 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 116.455 -0.339 . . . . 75.15 113.322 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 37' ' ' GLU . 41.8 pt -130.84 151.62 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.29 0.636 . . . . 71.22 111.893 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.8 -19.43 60.76 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.965 0.906 . . . . 74.01 112.722 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.6 mp0 -64.64 -52.78 55.6 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.204 0.602 . . . . 75.13 110.651 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.6 m -73.26 -28.79 62.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.354 0.662 . . . . 73.1 111.257 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.04 -48.59 75.72 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.703 0.401 . . . . 74.43 111.319 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.82 -40.09 83.13 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.147 0.579 . . . . 72.14 111.689 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.73 -58.39 7.64 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.35 1.06 . . . . 72.23 112.012 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.73 -37.2 59.58 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.828 1.047 . . . . 74.12 113.828 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 m -65.31 -42.26 93.21 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 118.284 0.493 . . . . 70.42 111.717 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -41.03 84.36 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 116.556 -0.293 . . . . 72.43 112.5 173.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -62.04 -35.27 78.1 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.039 0.936 . . . . 74.44 110.63 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -74.16 -40.56 62.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.239 0.616 . . . . 71.55 111.822 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.62 87.71 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 116.221 -0.445 . . . . 61.23 111.934 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -82.36 -55.5 4.47 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.559 0.744 . . . . 65.55 112.59 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -78.12 -49.6 13.6 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 118.796 -0.621 . . . . 72.25 112.528 -171.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.9 mp -60.75 -22.54 64.14 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.562 0.949 . . . . 71.04 113.562 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -64.1 -33.37 75.61 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 122.367 0.267 . . . . 72.21 111.556 174.719 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.27 12.06 12.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.598 0.759 . . . . 72.14 112.284 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 58' ' ' LEU . 55.6 ttm -83.61 133.32 34.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.436 0.694 . . . . 74.14 111.293 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -74.91 160.82 30.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.776 0.43 . . . . 74.21 111.748 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.86 -39.49 77.92 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.465 1.106 . . . . 62.53 111.656 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.8 -41.7 95.59 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.147 0.979 . . . . 72.11 112.585 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.37 -33.53 73.2 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.21 111.65 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.607 HD23 ' SD ' ' A' ' 53' ' ' MET . 84.6 mt -58.42 -29.22 65.94 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.058 0.943 . . . . 72.1 112.394 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.93 -36.98 72.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.451 0.7 . . . . 73.25 112.165 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.93 -38.21 72.9 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.053 0.454 . . . . 74.3 110.529 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -68.84 -33.52 73.96 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.095 -0.502 . . . . 62.04 111.37 175.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.87 -44.94 86.95 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.878 0.871 . . . . 72.4 109.353 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m -57.25 -43.92 83.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.939 0.896 . . . . 34.32 112.225 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.38 -31.67 72.37 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.97 0.908 . . . . 72.12 111.852 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 29' ' ' GLN . 91.5 mt -75.12 -15.5 60.59 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 113.007 0.744 . . . . 65.24 113.007 178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -88.11 -14.85 37.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.911 0.484 . . . . 62.4 111.675 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.78 157.41 28.46 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.862 0.465 . . . . 52.32 112.179 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.62 124.48 23.37 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.742 0.817 . . . . 73.32 110.203 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.3 p30 -46.33 -56.22 6.15 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.655 1.182 . . . . 74.51 113.966 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -50.89 -47.37 60.62 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.204 0.602 . . . . 75.21 112.205 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.42 -49.06 78.65 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.59 0.756 . . . . 70.32 111.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -54.59 -40.01 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 123.878 0.871 . . . . 73.24 111.185 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.63 -43.23 69.66 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.645 -0.707 . . . . 72.14 111.544 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -66.4 -34.54 78.19 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.288 0.635 . . . . 73.31 112.236 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.501 ' HB3' HD11 ' A' ' 95' ' ' LEU . 34.5 m0 -70.5 -40.43 73.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.754 0.422 . . . . 74.42 110.741 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.89 69.99 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.493 0.717 . . . . 74.53 112.401 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.19 -1.82 44.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.594 0.757 . . . . 75.0 112.154 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 65.85 14.51 9.6 Favored 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 125.201 1.4 . . . . 64.23 112.403 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.49 84.58 6.78 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.576 0.751 . . . . 72.14 110.036 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -91.13 14.65 13.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.212 0.605 . . . . 74.43 112.304 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -56.99 -46.97 81.88 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.407 1.083 . . . . 53.53 112.422 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t -109.44 -26.39 10.02 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.155 0.582 . . . . 74.45 112.419 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -124.44 95.76 42.6 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 123.455 0.702 . . . . 75.03 110.443 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.67 160.6 35.69 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.26 2.64 . . . . 64.14 113.359 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 86' ' ' PRO . 34.3 tp -91.85 123.21 63.83 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 122.797 0.439 . . . . 74.33 111.465 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.612 ' HD2' HD12 ' A' ' 85' ' ' LEU . 86.5 Cg_endo -81.58 157.96 19.12 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 123.03 2.487 . . . . 64.13 112.543 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 -33.03 70.79 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.188 0.995 . . . . 62.45 113.1 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -56.33 -39.1 72.27 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.77 0.828 . . . . 61.3 112.073 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HB3' HD22 ' A' ' 95' ' ' LEU . 83.4 m95 -97.4 -26.39 14.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.856 0.463 . . . . 74.21 111.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.62 89.0 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.274 0.559 . . . . 75.13 111.668 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.7 11.82 38.74 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.615 0.766 . . . . 73.5 112.385 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.3 p -92.69 139.82 30.17 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.675 0.39 . . . . 64.5 110.898 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -70.87 -36.51 72.84 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.669 0.788 . . . . 74.14 111.382 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.39 -45.94 87.34 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.22 1.008 . . . . 75.24 112.735 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.793 ' HG ' HE22 ' A' ' 99' ' ' GLN . 40.0 tp -58.75 -43.75 90.34 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.047 0.451 . . . . 73.23 110.88 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.14 -27.43 66.44 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.793 0.437 . . . . 74.34 111.456 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.72 -36.07 82.57 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.437 0.695 . . . . 73.5 111.337 167.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.27 -43.49 77.66 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.257 1.023 . . . . 65.52 112.425 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.793 HE22 ' HG ' ' A' ' 95' ' ' LEU . 1.4 mp0 -63.49 -46.76 84.65 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.169 0.433 . . . . 54.23 112.169 176.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.25 -24.15 63.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 111.631 0.234 . . . . 72.43 111.631 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.14 -39.85 65.37 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.578 0.351 . . . . 75.11 110.941 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.8 t -57.15 -30.79 64.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.581 0.752 . . . . 72.12 111.427 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -66.14 -49.87 65.96 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.715 0.806 . . . . 74.33 110.738 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.493 1.68 0 C-N-CA 124.381 1.072 . . . . 71.12 112.876 -176.314 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.666 0.617 . . . . 75.21 112.666 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -66.83 -41.56 87.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 119.429 -0.319 . . . . 73.55 111.103 171.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.1 ttpt -58.16 -53.44 58.21 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.234 0.334 . . . . 70.12 110.648 172.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.54 -53.23 54.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.883 0.873 . . . . 63.45 112.314 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.237 0.615 . . . . 53.41 111.943 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.96 -31.54 69.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.61 0.764 . . . . 52.04 112.025 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 97.5 mt -70.01 -44.19 69.82 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.429 0.292 . . . . 74.04 110.844 174.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -60.35 -32.32 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 C-N-CA 123.234 0.614 . . . . 72.34 110.744 172.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.57 -53.61 39.5 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.514 0.726 . . . . 71.35 110.805 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.5 mt-30 -66.19 -18.08 65.13 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.51 112.509 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.57 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 83.0 p -83.38 -46.19 12.84 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.45 0.7 . . . . 74.4 111.883 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -80.45 1.41 29.35 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.545 -0.752 . . . . 72.43 111.68 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -115.84 109.48 17.69 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 109.053 -0.721 . . . . 70.11 109.053 168.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.9 mmp_? -135.63 -171.37 2.83 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 124.553 1.141 . . . . 74.03 110.046 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.74 -26.87 25.87 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-N 116.359 -0.382 . . . . 62.01 112.401 168.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.6 pt -126.27 141.6 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.629 0.771 . . . . 61.04 111.678 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -21.79 64.43 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.828 0.851 . . . . 62.23 111.172 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.32 -52.38 64.94 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.762 0.825 . . . . 74.4 111.026 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 m -74.29 -28.28 61.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.66 -0.7 . . . . 43.54 111.708 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.82 -45.21 74.4 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 118.286 0.494 . . . . 74.11 111.284 169.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.41 -41.49 94.02 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.838 0.455 . . . . 72.44 111.649 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -65.53 -60.54 2.83 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.417 -0.81 . . . . 74.32 111.815 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 33' ' ' ARG . 69.1 mt -76.2 -34.39 59.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.882 1.067 . . . . 70.34 113.882 -172.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -67.46 -44.62 78.16 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 118.921 0.782 . . . . 63.13 111.004 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.07 99.75 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 116.097 -0.501 . . . . 65.15 112.303 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.81 -35.35 77.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.17 0.988 . . . . 73.23 111.007 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.16 -48.45 35.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.976 0.51 . . . . 75.14 112.292 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.11 61.57 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.0 -0.546 . . . . 51.13 112.011 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -92.59 -56.59 2.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.307 0.643 . . . . 75.12 112.104 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -81.81 -41.24 21.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 113.865 1.061 . . . . 65.04 113.865 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -62.96 -23.61 67.5 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.558 1.072 . . . . 61.52 112.539 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.78 -34.36 77.66 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.624 0.77 . . . . 73.53 111.325 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -22.17 16.83 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.032 0.753 . . . . 72.14 113.032 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.9 mtm -80.62 143.6 32.99 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.727 0.775 . . . . 74.35 112.487 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -100.73 -177.7 3.55 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.506 -1.224 . . . . 73.2 110.098 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.69 -46.28 40.26 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.522 1.129 . . . . 74.32 113.163 -171.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.68 -45.73 81.75 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.997 0.919 . . . . 70.4 112.263 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.07 -38.11 75.66 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.457 -0.792 . . . . 61.14 111.698 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 50' ' ' LEU . 45.1 mt -61.36 -46.7 89.1 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.502 0.927 . . . . 62.52 113.502 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.62 -27.91 66.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 122.039 -0.413 . . . . 74.43 111.836 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.17 -38.37 81.98 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.152 0.581 . . . . 63.52 110.316 170.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' HD1' HD11 ' A' ' 94' ' ' LEU . 38.3 t80 -62.41 -34.59 77.05 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.478 0.711 . . . . 73.1 112.47 178.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.07 -46.26 75.42 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.267 0.627 . . . . 71.12 111.592 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.6 m -55.5 -38.2 68.85 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.875 0.87 . . . . 74.31 112.601 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.12 -34.33 76.18 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.717 0.807 . . . . 73.25 111.66 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.2 mt -71.47 -23.58 61.85 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.701 0.8 . . . . 72.32 111.966 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -80.33 -12.42 59.6 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.997 0.519 . . . . 73.13 111.831 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -79.78 161.37 25.74 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.12 0.568 . . . . 73.44 111.816 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.91 123.72 20.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.286 1.034 . . . . 65.41 109.608 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -50.18 -46.19 54.07 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 114.175 1.176 . . . . 61.41 114.175 -176.075 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -55.61 -48.49 74.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.658 0.383 . . . . 72.31 111.823 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.75 -47.49 84.46 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.421 0.688 . . . . 74.25 111.327 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 69' ' ' ASP . 78.5 mt -51.03 -43.62 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 C-N-CA 124.148 0.979 . . . . 72.31 111.148 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -71.3 -38.26 71.76 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 115.205 -0.907 . . . . 75.12 111.688 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.45 -21.41 49.14 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.814 0.672 . . . . 72.45 112.814 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -80.01 -38.67 31.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.844 0.457 . . . . 74.44 109.932 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.15 -33.42 73.39 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.558 0.743 . . . . 43.51 111.512 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 p -104.61 -171.38 1.91 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.771 0.828 . . . . 74.14 110.726 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -111.44 92.69 4.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.332 0.653 . . . . 73.24 109.48 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -127.12 -74.45 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.681 -0.859 . . . . 54.32 108.681 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 66.58 -4.11 0.78 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.145 1.378 . . . . 72.04 114.626 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.04 -59.0 2.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.551 0.74 . . . . 72.31 109.615 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.8 p -66.38 -40.52 89.77 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.341 1.056 . . . . 60.44 111.103 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m -143.42 92.74 6.55 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.71 1.204 . . . . 72.35 109.946 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.69 161.23 46.78 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.877 2.384 . . . . 74.53 113.161 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -85.73 121.6 73.22 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 122.955 0.502 . . . . 71.31 111.106 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 13.9 Cg_exo -72.76 153.96 53.91 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 123.142 2.561 . . . . 51.32 112.465 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.26 -34.39 72.19 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.583 1.153 . . . . 71.31 112.594 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.526 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 20.7 ptmt -56.12 -36.73 68.54 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.596 1.158 . . . . 72.51 113.38 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.447 ' HB3' HD22 ' A' ' 95' ' ' LEU . 88.2 m95 -92.14 -19.62 22.09 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.955 0.502 . . . . 64.24 112.168 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.0 67.15 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.534 0.734 . . . . 61.45 112.951 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.51 -21.45 14.75 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.369 0.668 . . . . 74.31 112.371 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.6 m -64.13 126.41 27.63 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.148 0.579 . . . . 63.43 112.454 -174.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 62.0 tttm -62.99 -35.24 79.54 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.079 0.552 . . . . 71.35 110.52 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.576 HD11 ' HD1' ' A' ' 61' ' ' TYR . 47.4 tp -50.28 -49.71 52.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.511 1.124 . . . . 74.23 113.086 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 89' ' ' TRP . 56.7 tp -61.76 -37.53 84.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.109 -0.496 . . . . 55.45 111.031 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.68 -37.53 87.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.763 0.425 . . . . 63.24 109.958 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 20.8 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.805 0.842 . . . . 73.21 110.767 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.84 -40.88 83.69 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.316 1.046 . . . . 73.3 111.389 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.2 -28.06 67.77 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.556 1.143 . . . . 74.43 112.181 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.45 -54.65 9.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.7 0.4 . . . . 70.52 110.807 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 104' ' ' ASN . 54.2 t80 -64.43 -34.43 78.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.888 0.699 . . . . 71.44 112.888 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.403 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 87.9 p -51.55 -41.27 60.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.249 0.62 . . . . 54.41 111.44 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.56 -32.43 36.64 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 115.418 -0.81 . . . . 75.44 111.354 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.418 ' HB2' ' HA ' ' A' ' 101' ' ' PHE . 2.7 m-20 . . . . . 0 N--CA 1.495 1.776 0 C-N-CA 124.19 0.996 . . . . 75.22 113.337 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.768 0.318 . . . . 75.41 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.68 -32.24 65.65 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.141 0.576 . . . . 72.05 112.49 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -62.4 -52.04 65.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 120.949 0.404 . . . . 65.24 110.193 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HE ' HD11 ' A' ' 58' ' ' LEU . 95.8 mtt180 -60.94 -41.28 95.96 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.435 -0.802 . . . . 74.43 110.916 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.92 78.15 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.269 0.628 . . . . 71.13 111.337 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -67.48 -40.58 85.26 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.614 0.766 . . . . 74.23 111.827 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.43 -45.75 68.41 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.916 0.389 . . . . 74.55 111.087 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.681 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.6 mt -60.76 -34.23 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.719 1.207 . . . . 75.32 111.254 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.11 -54.21 41.44 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.133 0.973 . . . . 72.13 111.248 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.0 mt-30 -68.48 -22.18 64.57 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 62.0 112.61 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.738 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.2 p -80.0 -27.5 39.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.973 0.509 . . . . 64.3 111.692 175.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.35 -16.27 37.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.97 0.508 . . . . 72.41 111.525 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -87.63 107.82 18.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.903 -1.147 . . . . 70.01 107.903 166.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.7 mmp_? -145.12 169.99 17.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.606 1.162 . . . . 64.15 109.022 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.42 -57.84 4.89 Favored Glycine 0 CA--C 1.541 1.688 0 CA-C-N 116.492 -0.322 . . . . 44.43 112.445 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.561 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.8 pt -99.19 148.02 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.512 0.725 . . . . 70.44 112.385 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.4 mm? -74.03 -15.95 61.07 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.646 -0.706 . . . . 62.32 112.245 174.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 35' ' ' ILE . 41.4 mt-10 -62.7 -48.75 77.92 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.214 0.531 . . . . 73.31 111.144 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.4 m -72.02 -34.3 68.71 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.339 0.656 . . . . 74.03 111.134 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 19.1 t70 -55.27 -55.28 33.2 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 123.229 0.611 . . . . 70.12 111.289 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.55 -39.39 73.34 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 123.847 0.859 . . . . 73.41 112.406 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.88 -57.03 13.36 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.652 -0.704 . . . . 72.1 111.51 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.738 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 77.2 mt -73.97 -25.46 59.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.95 0.9 . . . . 63.3 112.914 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -63.16 -49.96 72.28 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.622 0.769 . . . . 72.13 111.273 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.92 88.32 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 115.99 -0.55 . . . . 53.12 112.933 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.97 -44.32 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.842 0.857 . . . . 75.52 111.652 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.4 -44.71 67.41 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.079 0.551 . . . . 61.24 112.385 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -29.27 70.22 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.802 -0.636 . . . . 63.12 112.35 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -89.79 -55.39 3.65 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.562 0.745 . . . . 74.2 111.85 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.28 -45.45 47.59 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.486 0.921 . . . . 75.21 113.486 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD22 HG13 ' A' ' 27' ' ' ILE . 10.0 mp -61.87 -26.53 68.2 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.616 0.969 . . . . 60.35 113.616 -174.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.28 -43.73 85.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.795 0.438 . . . . 64.2 111.295 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -89.86 -18.6 25.89 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.137 0.575 . . . . 74.24 112.49 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.2 mtm -83.57 137.0 34.04 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.269 0.557 . . . . 71.53 111.54 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 m-20 -80.16 166.94 20.96 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.031 -0.986 . . . . 73.34 110.423 173.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.7 mp0 -56.94 -31.06 64.59 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.648 1.179 . . . . 74.21 112.173 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.34 -36.52 84.28 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.192 0.997 . . . . 71.12 110.918 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.04 -40.31 24.42 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.435 1.094 . . . . 72.34 112.189 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 54' ' ' ASN . 84.8 mt -56.08 -37.16 68.96 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 124.658 1.183 . . . . 72.51 114.05 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.71 -28.45 68.44 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.877 0.471 . . . . 62.02 112.061 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.79 -34.68 69.6 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.799 0.44 . . . . 75.25 110.47 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.96 -35.12 80.15 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.725 0.41 . . . . 73.41 111.553 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -32.74 70.78 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 123.79 0.836 . . . . 71.32 111.581 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -65.42 -36.6 84.42 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.493 0.717 . . . . 61.23 111.722 175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -69.35 -29.7 67.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.679 0.792 . . . . 65.25 112.005 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 29' ' ' GLN . 61.1 mt -66.88 -24.52 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.568 0.747 . . . . 65.14 112.108 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -77.22 -17.32 58.56 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.32 1.048 . . . . 74.43 111.987 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.58 157.99 23.26 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.373 0.669 . . . . 62.23 111.621 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.42 135.41 56.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.61 0.764 . . . . 73.24 109.697 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.97 -55.08 7.28 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.661 1.185 . . . . 73.53 111.975 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -54.4 -46.94 73.24 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.354 -0.839 . . . . 74.54 112.026 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -60.96 -47.86 84.46 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.381 0.672 . . . . 52.14 112.158 -179.422 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 42' ' ' LEU . 77.6 mt -52.53 -46.94 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.537 0.735 . . . . 73.54 110.752 175.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.11 -39.58 82.74 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 115.026 -0.988 . . . . 73.22 111.823 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -76.4 -41.91 46.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.614 0.598 . . . . 62.34 112.614 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD11 ' A' ' 95' ' ' LEU . 22.9 m0 -62.59 -37.33 85.81 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.144 0.497 . . . . 71.01 110.294 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.477 ' HB1' ' OG ' ' A' ' 102' ' ' SER . . . -63.67 -47.28 81.87 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.301 1.041 . . . . 62.12 112.326 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -81.64 0.4 38.73 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.52 0.728 . . . . 73.41 112.013 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 74.39 12.64 3.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.418 1.487 . . . . 60.41 112.431 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.33 86.68 7.34 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.869 0.868 . . . . 65.15 110.379 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -88.91 4.68 47.11 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.472 0.709 . . . . 61.44 112.896 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -64.02 -60.08 3.68 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.222 0.609 . . . . 42.44 111.793 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -80.78 -38.14 29.04 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.863 0.865 . . . . 74.22 111.868 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 m -114.92 96.5 44.97 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 123.8 0.84 . . . . 72.34 110.185 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.97 149.91 66.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.907 2.405 . . . . 54.52 112.28 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.9 tp -83.12 123.64 77.2 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.221 0.609 . . . . 70.24 111.78 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -67.55 157.5 61.47 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.535 2.823 . . . . 74.53 112.825 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.82 -36.1 82.06 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.118 0.967 . . . . 74.21 112.784 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -60.12 -27.28 66.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.572 0.749 . . . . 63.24 112.74 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -96.06 -14.44 22.92 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.714 0.406 . . . . 74.01 112.072 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.82 102.85 0.13 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.824 0.45 . . . . 73.42 110.952 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 68.61 17.5 8.95 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.014 1.326 . . . . 75.45 113.233 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -66.71 137.66 56.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.215 0.606 . . . . 52.41 110.932 173.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -55.27 -49.81 71.12 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.068 0.547 . . . . 75.12 111.231 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -56.82 -42.4 79.54 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.488 0.715 . . . . 72.14 112.284 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.7 tp -63.68 -43.58 96.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.246 178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -59.89 -46.14 90.29 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.231 0.612 . . . . 71.3 110.871 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.99 -37.79 83.71 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.148 0.979 . . . . 62.15 111.602 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.8 tp -68.98 -42.33 76.7 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.784 0.833 . . . . 73.42 111.248 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -65.93 -43.57 87.7 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.606 0.762 . . . . 73.01 111.584 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.26 -37.56 87.72 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.167 0.587 . . . . 64.14 110.992 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -70.73 -42.94 69.87 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 111.741 0.274 . . . . 75.54 111.741 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.477 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 60.6 m -62.44 -38.0 88.05 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.152 0.797 . . . . 73.5 113.152 -174.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG3' ' ND2' ' A' ' 104' ' ' ASN . 11.0 pt-20 -81.63 -27.97 33.9 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.175 0.435 . . . . 74.55 112.175 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.449 ' ND2' ' HG3' ' A' ' 103' ' ' GLU . 65.8 m-80 . . . . . 0 CA--C 1.567 1.603 0 C-N-CA 123.403 0.681 . . . . 61.31 111.609 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.581 0.229 . . . . 70.54 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.18 165.44 15.33 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 114.91 0.724 . . . . 61.05 114.91 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -140.1 89.86 2.33 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.414 1.086 . . . . 73.34 109.041 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -82.95 70.87 10.04 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.653 0.781 . . . . 73.13 110.563 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -118.29 113.03 20.84 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.73 -0.841 . . . . 71.15 108.73 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -72.17 137.96 47.3 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.455 0.302 . . . . 72.31 111.273 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.31 154.26 28.32 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.306 0.642 . . . . 63.32 111.35 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -89.39 112.92 24.17 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.095 0.558 . . . . 73.13 110.355 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -139.83 148.85 42.74 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.24 0.616 . . . . 63.24 111.122 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -109.97 107.84 17.88 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.724 0.81 . . . . 62.44 109.754 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.92 77.94 2.16 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.28 1.038 . . . . 70.22 111.638 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -87.57 95.17 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 115.647 -0.706 . . . . 75.22 109.821 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -85.41 81.49 8.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.41 0.624 . . . . 74.53 110.197 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -137.24 137.82 39.47 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.696 0.798 . . . . 72.43 110.512 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.9 m -135.68 103.06 5.3 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.448 0.699 . . . . 74.4 110.549 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -130.79 76.3 1.71 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.206 -1.035 . . . . 63.42 108.206 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.04 160.93 21.75 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.107 0.963 . . . . 74.43 110.318 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 63.9 Cg_exo -54.37 138.05 72.65 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.577 2.185 . . . . 53.34 112.195 164.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -31.89 73.3 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.879 0.471 . . . . 71.43 111.706 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.03 -40.51 93.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.342 0.657 . . . . 74.54 111.74 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 92.2 mttt -67.68 -31.65 71.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.674 0.39 . . . . 61.21 111.968 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.45 -39.43 77.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.309 0.244 . . . . 61.35 111.038 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HA ' HD23 ' A' ' 50' ' ' LEU . 54.2 mtt-85 -60.44 -46.19 90.95 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.801 0.441 . . . . 74.14 109.877 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.212 0.605 . . . . 71.12 111.788 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -65.35 -50.0 67.24 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.145 0.978 . . . . 72.2 112.108 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.93 -39.09 79.82 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.06 0.544 . . . . 63.53 111.595 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.712 HG13 HD22 ' A' ' 50' ' ' LEU . 93.9 mt -65.17 -36.13 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 123.779 0.832 . . . . 72.22 110.907 172.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.34 -48.03 77.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.419 0.688 . . . . 75.44 111.925 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -70.4 -25.02 63.04 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.391 0.677 . . . . 55.15 111.164 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -68.82 -32.24 71.8 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.067 0.947 . . . . 64.31 111.543 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.58 4.09 54.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.95 0.9 . . . . 73.15 111.808 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -98.9 111.32 23.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 107.689 -1.226 . . . . 71.42 107.689 161.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.63 152.33 37.7 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.886 0.875 . . . . 74.32 111.187 -167.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.0 -35.91 37.41 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-N 115.796 -0.638 . . . . 65.13 113.539 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' A' ' 69' ' ' ASP . 41.6 pt -124.38 151.78 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-N 117.319 0.56 . . . . 75.34 112.007 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.2 mm? -72.56 -25.26 61.29 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.021 0.928 . . . . 70.22 112.345 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.17 -51.35 66.77 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.044 0.45 . . . . 44.22 111.766 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.456 ' H ' HG13 ' A' ' 35' ' ' ILE . 30.7 m -72.83 -29.64 63.39 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.275 0.63 . . . . 54.53 111.254 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t70 -59.31 -54.68 44.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.012 0.525 . . . . 73.43 111.852 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.78 -38.32 90.18 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.582 0.753 . . . . 34.24 111.707 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.88 -59.68 5.03 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.81 0.844 . . . . 73.24 111.669 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' ARG . 66.5 mt -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.958 0.725 . . . . 64.32 112.958 -176.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -48.14 75.86 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.622 0.647 . . . . 74.04 111.525 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.43 -40.17 79.69 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.57 -0.741 . . . . 52.54 112.745 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -62.34 -48.29 80.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.813 0.845 . . . . 53.34 111.643 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -66.1 -48.5 70.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.329 0.652 . . . . 44.11 112.095 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.19 67.09 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.72 -0.673 . . . . 65.32 112.38 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -91.07 -54.99 3.71 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.014 0.926 . . . . 75.22 112.499 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.03 -36.35 35.89 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.289 1.036 . . . . 74.11 113.104 -168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HG ' HD22 ' A' ' 58' ' ' LEU . 8.5 mp -64.42 -22.38 66.94 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 118.628 0.649 . . . . 71.01 112.733 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -66.55 -43.94 83.7 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.764 0.425 . . . . 74.11 111.443 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -88.68 -24.1 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.997 0.74 . . . . 73.43 112.997 -175.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 63.0 mtm -82.59 143.55 30.95 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.053 0.761 . . . . 72.13 113.053 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -77.25 163.98 26.01 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.493 1.117 . . . . 73.4 109.893 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 43.8 tt0 -55.52 -35.12 65.29 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 112.456 0.539 . . . . 74.52 112.456 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.99 -48.76 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.731 0.812 . . . . 72.45 111.361 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 27.5 mm-40 -65.31 -37.89 88.51 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.695 0.798 . . . . 63.32 111.725 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 50' ' ' LEU . 24.2 mt -62.53 -29.01 70.25 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.705 0.802 . . . . 72.32 112.539 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 6.7 mm-40 -77.25 -31.76 55.25 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.444 0.697 . . . . 64.35 111.618 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.73 -35.9 81.19 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.174 0.511 . . . . 74.41 109.723 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -69.95 -34.17 73.07 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.843 -0.617 . . . . 74.02 111.425 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.61 -43.56 97.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.361 0.664 . . . . 42.44 109.721 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -58.57 -29.92 66.78 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.602 0.761 . . . . 71.1 112.46 173.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.16 -33.97 61.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.678 0.791 . . . . 50.55 111.581 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.94 -24.55 64.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.05 0.54 . . . . 75.32 112.201 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -74.2 -15.18 61.01 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.395 0.678 . . . . 74.15 112.376 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.7 160.56 18.81 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.168 0.587 . . . . 73.15 111.378 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.14 144.97 30.38 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 75.41 111.75 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.3 m-20 -40.52 -65.46 0.41 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.18 1.392 . . . . 74.45 114.289 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -62.99 -35.78 81.33 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.416 0.447 . . . . 65.43 112.202 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.05 -49.14 75.73 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.136 0.273 . . . . 52.03 110.78 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.06 -45.05 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.99 0.916 . . . . 72.21 111.121 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.38 -40.28 93.29 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.351 -0.841 . . . . 63.24 111.646 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.09 -40.56 71.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.954 0.502 . . . . 72.13 111.702 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HB3' HD11 ' A' ' 95' ' ' LEU . 20.2 m0 -65.39 -35.99 82.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.8 0.333 . . . . 73.1 111.262 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.28 75.72 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.789 0.836 . . . . 74.04 112.416 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.8 p -85.3 -1.27 56.79 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.46 0.704 . . . . 74.45 112.18 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 69.82 19.04 7.26 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 125.07 1.348 . . . . 75.11 112.449 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -82.43 66.62 8.12 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 121.896 0.855 . . . . 72.4 109.949 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -76.22 -9.33 58.55 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.851 . . . . 64.51 111.975 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.09 -50.88 71.47 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.994 0.918 . . . . 51.51 111.093 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 m -76.37 -55.38 5.6 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.344 -0.389 . . . . 63.43 110.638 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -112.0 103.06 54.97 Favored Pre-proline 0 N--CA 1.487 1.388 0 C-N-CA 123.401 0.681 . . . . 72.12 110.538 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.56 148.05 83.49 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 122.982 2.454 . . . . 63.43 112.714 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.1 tp -81.25 118.45 72.35 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-O 119.297 -0.382 . . . . 75.24 111.739 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -72.1 165.22 33.27 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.345 2.697 . . . . 74.53 113.14 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.97 -46.03 85.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.106 0.962 . . . . 72.52 112.354 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -55.24 -24.24 26.77 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.359 0.874 . . . . 75.42 113.359 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -106.23 -23.3 12.61 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.562 0.579 . . . . 74.12 112.562 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.26 73.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.962 0.905 . . . . 63.35 112.73 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -111.4 11.8 21.52 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.132 0.573 . . . . 75.42 112.231 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -88.06 132.84 34.14 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.839 0.456 . . . . 71.31 111.923 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.07 -38.31 75.71 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 116.144 -0.48 . . . . 73.54 111.283 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.55 -43.31 75.71 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.823 0.849 . . . . 72.5 112.346 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 75' ' ' TRP . 16.0 tp -56.23 -48.64 76.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.37 0.605 . . . . 72.33 111.268 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.85 -32.32 73.51 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.085 -0.962 . . . . 72.42 111.166 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.82 -39.69 94.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.559 0.743 . . . . 74.52 110.724 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.9 tp -68.62 -37.19 79.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.11 0.964 . . . . 65.34 111.351 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.22 -45.99 68.47 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.263 0.625 . . . . 61.43 111.301 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.56 -23.97 66.29 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.812 0.845 . . . . 70.14 111.802 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -73.89 -47.8 35.49 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.885 0.474 . . . . 74.41 110.39 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.5 m -56.05 -37.98 70.0 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.941 0.896 . . . . 75.5 113.259 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.04 -33.07 73.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.851 0.46 . . . . 53.3 111.698 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -90.02 -77.27 0.4 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.011 0.524 . . . . 72.12 111.582 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 45.65 -80.85 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.837 1.655 . . . . 74.42 113.482 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -93.52 -2.42 54.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.729 0.812 . . . . 73.2 111.825 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.83 96.01 4.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.501 1.12 . . . . 51.44 110.248 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.73 -176.77 6.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.795 0.438 . . . . 64.23 111.034 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.489 1.48 0 C-N-CA 124.001 0.92 . . . . 52.01 111.567 177.709 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.942 0.401 . . . . 73.1 111.469 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.69 172.78 44.13 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-N 115.989 -0.55 . . . . 71.44 114.186 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -159.36 124.74 4.2 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.997 0.919 . . . . 71.45 110.112 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -154.71 79.52 1.08 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.181 0.515 . . . . 74.42 111.036 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -141.34 127.13 19.18 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.004 0.922 . . . . 74.04 110.646 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -155.76 128.85 8.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.406 0.682 . . . . 65.33 110.698 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -135.57 122.39 21.11 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.873 0.869 . . . . 74.33 110.127 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -150.54 109.07 3.8 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.328 0.651 . . . . 72.23 110.132 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -80.54 147.82 30.65 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.611 0.764 . . . . 44.04 111.061 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -152.15 133.09 14.18 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.312 0.645 . . . . 63.45 110.594 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.1 ptp -88.7 130.72 35.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.979 0.511 . . . . 74.54 110.123 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.95 77.75 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 121.884 0.85 . . . . 62.43 110.094 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -136.79 101.41 4.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.489 1.116 . . . . 75.14 109.18 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -80.51 75.13 7.38 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.873 0.844 . . . . 54.04 109.996 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.0 m -88.59 83.12 6.78 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.635 -0.711 . . . . 64.11 109.444 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 m120 59.91 -162.15 0.26 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.934 0.894 . . . . 74.31 111.609 -172.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -115.81 95.59 44.38 Favored Pre-proline 0 N--CA 1.483 1.222 0 C-N-CA 123.012 0.525 . . . . 64.12 110.124 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 21' ' ' LYS . 31.2 Cg_exo -61.43 145.91 97.63 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.614 2.21 . . . . 45.12 111.496 166.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.22 -39.41 75.14 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.714 0.405 . . . . 65.41 112.01 -171.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -74.07 -27.54 60.96 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 112.487 0.551 . . . . 72.25 112.487 172.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 18' ' ' PRO . 25.6 mttp -68.23 -32.37 72.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.604 0.638 . . . . 74.4 111.494 168.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.9 tttp -64.75 -54.63 28.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.722 -0.844 . . . . 62.11 108.722 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 27' ' ' ILE . 38.6 ttm180 -53.28 -54.41 36.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.854 1.261 . . . . 71.35 112.169 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.17 79.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.45 0.7 . . . . 72.33 112.396 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -72.41 -32.34 66.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.685 0.794 . . . . 70.51 111.829 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 83.4 mt -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 54.22 110.359 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 23' ' ' ARG . 39.5 mt -62.59 -31.11 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 C-N-CA 123.891 0.876 . . . . 71.22 111.441 175.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.83 -51.28 50.27 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.79 0.836 . . . . 74.52 111.502 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.596 ' HB2' HD13 ' A' ' 65' ' ' LEU . 43.0 mt-30 -74.35 -13.19 60.71 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.206 0.603 . . . . 61.42 112.347 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.76 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 85.3 p -88.86 -38.57 14.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.292 0.637 . . . . 44.3 111.217 174.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -77.81 -9.39 59.01 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.257 0.551 . . . . 73.41 110.146 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 111.68 23.84 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.55 -0.907 . . . . 74.23 108.55 163.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.49 168.56 20.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.734 1.214 . . . . 74.54 109.561 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.77 -59.03 7.48 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.561 -0.29 . . . . 62.21 113.056 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -96.13 154.24 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.123 0.569 . . . . 73.3 112.467 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 29.7 tp -72.26 -22.95 61.15 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.415 -0.811 . . . . 73.13 111.552 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HB2' HD12 ' A' ' 35' ' ' ILE . 2.1 mp0 -63.02 -52.17 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.436 0.694 . . . . 51.1 110.974 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 ' H ' HG13 ' A' ' 35' ' ' ILE . 20.1 m -73.52 -30.13 62.9 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.477 0.711 . . . . 65.11 111.334 175.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 18.8 t70 -54.66 -58.91 5.67 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.999 0.52 . . . . 75.02 111.563 174.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.8 mt -55.79 -35.66 66.54 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.658 0.783 . . . . 75.3 111.746 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.9 -60.41 2.89 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.063 0.945 . . . . 75.51 111.876 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.76 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 58.6 mt -76.1 -31.89 58.93 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.047 1.128 . . . . 35.44 114.047 -173.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.3 p -62.15 -48.67 79.06 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.135 0.425 . . . . 54.14 110.921 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.19 -44.82 85.58 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.446 -0.797 . . . . 32.42 113.048 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.17 -43.08 82.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.015 0.926 . . . . 73.43 111.762 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.35 -47.09 65.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.128 -0.942 . . . . 61.23 111.866 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -31.78 73.05 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.004 -0.543 . . . . 72.42 112.066 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.31 -55.87 3.35 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.942 0.897 . . . . 75.44 112.403 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.63 -26.87 45.32 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.636 0.976 . . . . 75.12 113.636 -171.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -66.54 -22.44 66.16 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 118.47 0.577 . . . . 72.43 112.097 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.72 -41.96 99.42 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.074 0.55 . . . . 73.14 111.309 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -22.26 25.24 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.672 0.619 . . . . 60.21 112.672 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.5 mtm -81.35 138.54 35.64 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.473 0.654 . . . . 62.14 112.059 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.62 175.04 6.53 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.316 1.446 . . . . 74.22 109.846 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.87 -47.4 31.79 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.153 1.381 . . . . 54.34 113.786 -169.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -71.95 -37.6 69.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.694 0.798 . . . . 75.53 111.268 -173.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -64.91 -41.34 95.64 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.865 0.866 . . . . 74.52 111.634 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HG ' ' A' ' 50' ' ' LEU . 66.4 mt -58.59 -29.08 66.16 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.047 0.939 . . . . 72.42 113.081 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -69.21 -39.01 78.86 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.023 0.529 . . . . 74.21 111.852 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.13 -34.22 77.55 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.969 0.507 . . . . 62.23 110.318 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HD1' HD11 ' A' ' 94' ' ' LEU . 35.5 t80 -67.46 -39.94 85.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.914 175.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.08 -34.59 72.15 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.311 0.645 . . . . 62.43 110.868 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 m -62.96 -37.88 88.88 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.89 0.876 . . . . 73.0 112.366 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.18 -30.92 71.01 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 123.384 0.674 . . . . 63.23 112.017 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 29' ' ' GLN . 51.5 mt -68.15 -21.29 64.92 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.386 0.674 . . . . 63.21 112.316 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -82.25 -6.63 59.36 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.111 0.564 . . . . 63.35 111.98 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.2 163.96 16.62 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.976 0.511 . . . . 64.32 110.458 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.32 137.52 35.75 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.647 0.379 . . . . 63.23 111.088 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.64 -52.2 18.83 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.809 1.04 . . . . 72.21 113.809 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -56.49 -44.38 80.62 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.296 0.48 . . . . 74.52 112.296 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.26 -51.18 68.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.501 0.32 . . . . 71.22 111.099 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 42' ' ' LEU . 81.2 mt -51.81 -38.16 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.08 0.952 . . . . 71.14 111.329 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -68.99 -47.04 66.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.831 -0.622 . . . . 64.31 111.574 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.72 -20.17 59.94 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.346 0.498 . . . . 73.44 112.346 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -77.33 -44.47 29.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.899 0.48 . . . . 74.03 110.629 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.69 -69.66 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.337 0.655 . . . . 60.14 111.163 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 p -75.5 111.31 10.67 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.574 -0.898 . . . . 73.15 108.574 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 84.69 0.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.963 0.905 . . . . 73.11 112.502 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -110.71 -59.3 1.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.857 -1.065 . . . . 71.34 109.609 171.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 54.83 20.27 2.98 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 124.417 1.087 . . . . 63.25 113.444 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -82.09 5.26 20.08 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.415 1.086 . . . . 65.11 113.287 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 t -162.83 -32.34 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.241 1.016 . . . . 71.3 110.576 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.0 m -109.94 98.17 32.94 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 123.647 0.779 . . . . 64.15 110.734 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.78 157.45 55.26 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.318 2.012 . . . . 74.33 112.141 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.9 tp -85.39 121.84 73.65 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 122.895 0.478 . . . . 72.42 111.48 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.676 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.2 Cg_exo -76.94 160.51 33.69 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.759 2.306 . . . . 73.13 112.226 173.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.57 -33.31 73.64 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.332 1.053 . . . . 70.33 111.945 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.4 ptmt -58.97 -23.03 61.33 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.481 1.112 . . . . 75.32 113.305 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -115.67 -16.47 11.27 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.627 0.603 . . . . 73.34 112.627 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.66 88.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.053 0.541 . . . . 72.05 111.225 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -99.0 10.11 42.17 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.767 0.827 . . . . 65.35 112.462 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -98.33 126.19 43.74 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.969 0.508 . . . . 61.52 111.286 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -70.2 -27.49 64.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.656 0.383 . . . . 64.33 110.935 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.424 HD11 ' HD1' ' A' ' 61' ' ' TYR . 50.5 tp -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.591 0.757 . . . . 75.43 112.286 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.38 -45.92 92.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.566 -0.743 . . . . 75.02 111.268 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.77 -28.47 67.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.445 0.698 . . . . 74.41 111.416 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -67.48 -36.06 80.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.116 0.966 . . . . 72.55 110.874 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.7 -33.88 60.36 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.858 0.863 . . . . 74.31 111.362 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.19 -45.85 68.92 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.908 0.883 . . . . 74.24 111.24 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.08 -36.8 80.4 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.696 0.399 . . . . 71.5 110.716 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.99 -37.52 86.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.333 0.253 . . . . 73.14 111.257 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.538 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 21.1 t -55.23 -28.77 55.54 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.893 0.477 . . . . 75.13 111.699 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.67 -43.28 23.04 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 123.873 0.869 . . . . 64.3 110.968 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -89.77 -10.84 44.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.688 1.366 . . . . 64.43 114.688 -166.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 102' ' ' SER . 16.6 pttp -64.27 -26.69 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.246 0.832 . . . . 74.04 113.246 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.56 1.79 32.63 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.721 0.809 . . . . 72.53 111.591 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -101.75 -0.81 33.75 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.741 0.816 . . . . 74.44 112.401 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -97.26 154.93 17.1 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.863 0.865 . . . . 70.32 109.885 173.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 122.381 1.086 . . . . 65.25 111.715 -176.06 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 121.03 0.443 . . . . 65.21 111.332 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.26 61.2 0.02 OUTLIER Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.539 -0.755 . . . . 53.34 112.068 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -65.95 129.13 38.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.347 0.594 . . . . 61.33 112.222 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -84.71 139.54 31.93 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.739 -0.664 . . . . 74.33 109.471 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -84.24 69.58 10.45 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.468 0.651 . . . . 65.24 110.813 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.2 78.81 4.0 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.854 0.835 . . . . 72.14 110.53 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.08 71.93 9.13 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.484 -0.78 . . . . 55.15 109.272 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -128.6 93.74 3.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.1 0.96 . . . . 72.03 109.73 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.8 m 62.17 179.75 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.815 1.246 . . . . 75.22 112.578 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.6 94.88 4.63 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.02 0.528 . . . . 73.23 110.514 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -79.9 77.59 6.56 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.322 0.582 . . . . 75.24 109.762 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -85.61 117.5 30.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.522 0.729 . . . . 62.52 111.174 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -104.69 91.45 3.86 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.683 0.754 . . . . 72.35 110.962 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -86.38 -9.33 56.55 Favored 'General case' 0 CA--C 1.563 1.459 0 CA-C-N 114.747 -1.115 . . . . 63.15 110.035 171.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 m -64.88 125.95 26.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.942 1.297 . . . . 74.51 112.237 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 m120 60.92 25.12 15.11 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.673 1.189 . . . . 64.31 112.922 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -94.43 110.35 48.28 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 122.774 0.43 . . . . 54.5 110.31 173.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -60.7 146.42 97.27 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.589 2.193 . . . . 34.43 111.671 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD11 HD12 ' A' ' 58' ' ' LEU . 2.6 tm? -59.42 -33.12 70.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.728 0.811 . . . . 70.12 110.89 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.13 -39.53 86.63 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.682 0.793 . . . . 72.52 111.475 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.29 -29.16 62.53 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.822 0.449 . . . . 72.5 111.635 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.21 -46.74 87.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.776 0.43 . . . . 61.24 110.563 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -56.36 -39.46 72.92 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.076 0.95 . . . . 73.23 110.808 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.97 92.84 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.472 0.709 . . . . 61.32 111.832 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -63.48 -33.7 76.15 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.961 0.904 . . . . 72.53 112.244 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.83 -49.08 21.88 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 122.706 0.402 . . . . 71.51 111.14 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 46' ' ' ALA . 75.8 mt -57.62 -33.11 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 C-N-CA 123.335 0.654 . . . . 70.1 111.238 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.37 -50.17 70.97 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.704 0.802 . . . . 63.25 111.492 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' HB2' HD13 ' A' ' 65' ' ' LEU . 54.3 mt-30 -81.58 -8.76 59.76 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.374 0.67 . . . . 71.34 112.636 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 71.0 p -84.31 -46.02 12.21 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.017 0.527 . . . . 74.25 110.773 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.61 2.87 20.82 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.501 -0.772 . . . . 54.41 111.583 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -114.93 112.03 22.08 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.464 -0.569 . . . . 73.15 109.464 163.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 42' ' ' LEU . 6.3 mmp_? -136.96 166.27 24.05 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.849 1.26 . . . . 72.23 109.672 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.26 -40.23 94.68 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 116.41 -0.359 . . . . 61.12 113.367 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.422 HG13 ' H ' ' A' ' 38' ' ' THR . 31.2 pt -108.73 149.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 122.807 0.443 . . . . 72.13 110.858 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.83 -22.11 59.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.81 0.844 . . . . 71.3 112.807 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.86 -52.3 51.46 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 120.905 0.383 . . . . 75.13 111.47 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.422 ' H ' HG13 ' A' ' 35' ' ' ILE . 28.7 m -72.84 -29.56 63.31 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.299 0.64 . . . . 62.14 111.394 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.42 -55.0 33.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.887 0.875 . . . . 74.33 111.127 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.92 -33.29 70.38 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.893 0.877 . . . . 71.41 112.05 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.5 -56.6 19.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.284 0.633 . . . . 75.24 111.341 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 33' ' ' ARG . 71.2 mt -74.25 -24.36 59.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.618 0.767 . . . . 71.03 112.399 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -62.61 -55.06 30.64 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.606 0.362 . . . . 55.22 110.987 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.43 95.46 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-N 116.035 -0.529 . . . . 42.0 113.116 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.42 -43.37 98.98 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.879 0.872 . . . . 74.24 111.222 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.91 -36.68 72.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.762 0.425 . . . . 61.33 112.101 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.87 86.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.634 -0.712 . . . . 73.32 112.057 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -86.38 -56.09 3.6 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.087 0.555 . . . . 72.42 111.705 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -74.97 -54.18 7.66 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 118.098 -0.953 . . . . 73.31 113.176 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.0 mp -54.39 -30.44 52.08 Favored 'General case' 0 N--CA 1.506 2.333 0 CA-C-N 119.115 0.87 . . . . 73.11 113.138 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.43 -29.68 70.68 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.704 0.801 . . . . 72.25 112.229 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -122.26 -3.84 8.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.876 0.87 . . . . 63.35 112.923 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.598 ' SD ' HD23 ' A' ' 58' ' ' LEU . 41.9 ttm -72.57 150.35 43.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.024 0.93 . . . . 61.42 111.492 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -77.67 151.41 34.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.28 0.632 . . . . 51.44 111.004 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.3 -40.28 74.07 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.584 1.154 . . . . 71.51 111.545 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.33 -35.27 75.25 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.48 1.112 . . . . 72.03 113.129 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 53' ' ' MET . 41.5 mt-10 -78.45 -32.91 48.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.288 0.635 . . . . 73.23 112.102 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD23 ' SD ' ' A' ' 53' ' ' MET . 81.0 mt -60.11 -35.99 76.45 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.713 1.005 . . . . 63.35 113.713 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.595 0.358 . . . . 72.34 111.699 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.73 -33.64 66.53 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.994 0.518 . . . . 75.01 110.098 172.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' HD1' HD11 ' A' ' 94' ' ' LEU . 45.5 t80 -66.81 -37.36 84.37 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.215 0.606 . . . . 75.14 111.996 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.85 -45.94 74.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.323 0.649 . . . . 74.32 110.301 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 m -59.29 -36.31 75.34 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.947 0.899 . . . . 54.44 112.258 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.23 -34.25 77.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.343 0.657 . . . . 65.55 111.874 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 29' ' ' GLN . 70.9 mt -71.52 -18.76 62.26 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.017 0.527 . . . . 64.02 111.922 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -84.23 -7.97 59.18 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.476 0.711 . . . . 51.35 112.153 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.12 167.5 16.71 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.293 0.568 . . . . 72.52 111.688 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 133.73 38.45 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.431 -0.804 . . . . 73.34 110.859 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -49.64 -54.39 18.76 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.177 1.391 . . . . 61.31 112.985 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -54.37 -47.11 73.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.377 0.671 . . . . 74.3 112.292 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.32 -45.68 93.41 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.212 0.605 . . . . 72.13 111.464 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 42' ' ' LEU . 70.2 mt -53.38 -46.64 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 124.019 0.928 . . . . 65.01 111.039 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.22 -45.25 94.21 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.627 -1.17 . . . . 74.11 111.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -70.15 -40.14 74.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.95 0.722 . . . . 75.43 112.95 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.486 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.4 m0 -64.14 -38.24 90.34 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.125 0.488 . . . . 74.12 110.852 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.61 13.22 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.973 -1.012 . . . . 72.41 111.824 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 p -83.81 6.48 21.2 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.006 0.922 . . . . 73.42 112.655 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 67.56 20.06 9.77 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.762 1.225 . . . . 75.35 113.134 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.87 60.81 5.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.637 0.775 . . . . 73.23 111.038 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 72.3 m-85 -74.94 0.97 13.96 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.512 0.725 . . . . 43.31 112.53 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -26.35 14.74 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.569 1.548 . . . . 73.23 113.811 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -128.69 -35.74 1.89 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.335 0.654 . . . . 74.31 111.972 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 m -116.14 100.74 53.75 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 123.003 0.521 . . . . 72.44 110.259 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.21 160.5 48.81 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.755 2.303 . . . . 73.42 112.829 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 33.8 tp -81.55 123.11 81.12 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 122.813 0.445 . . . . 71.24 111.164 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.9 Cg_exo -78.45 165.57 25.13 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.993 2.462 . . . . 62.43 112.988 175.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.78 -31.92 73.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.22 1.008 . . . . 74.23 112.067 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.7 ptmt -62.62 -29.08 70.35 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.033 0.933 . . . . 54.41 112.862 178.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -103.14 -16.77 15.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 112.576 0.584 . . . . 74.1 112.576 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.16 -31.53 65.49 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.547 0.739 . . . . 71.33 112.442 175.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -99.44 -5.63 29.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.805 0.842 . . . . 63.41 112.627 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -83.18 133.8 35.01 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.285 0.846 . . . . 74.42 113.285 -170.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -69.97 -41.54 74.32 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.107 0.963 . . . . 74.25 111.031 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 26.9 tp -51.9 -44.27 63.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.98 1.312 . . . . 63.41 112.777 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 75' ' ' TRP . 44.6 tp -53.62 -48.24 69.51 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.782 -0.645 . . . . 74.42 110.743 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 55.6 mttp -64.26 -37.3 87.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.223 -0.899 . . . . 73.53 111.308 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.0 -44.26 94.66 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.895 0.878 . . . . 74.23 110.982 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.29 -33.35 65.15 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.006 0.922 . . . . 72.51 111.752 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.32 -39.79 85.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.599 0.76 . . . . 70.42 111.314 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 19.1 mm-40 -67.46 -37.03 82.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.889 0.476 . . . . 62.31 111.715 175.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.02 -56.16 6.76 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.663 -0.244 . . . . 74.11 111.523 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.3 p -58.87 -45.4 90.26 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.16 0.984 . . . . 74.02 113.202 -169.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.97 -25.68 60.06 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.472 -0.785 . . . . 72.33 112.043 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -117.84 10.8 13.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 113.912 1.079 . . . . 71.11 113.912 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -3.03 41.0 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 113.265 0.839 . . . . 73.43 113.265 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.59 -14.86 23.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.122 0.969 . . . . 72.15 111.049 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 43.4 84.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.079 1.751 . . . . 71.44 113.991 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.19 -176.98 5.5 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.569 0.748 . . . . 74.13 110.786 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.936 0.874 . . . . 73.22 111.885 179.67 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.575 0.226 . . . . 54.11 110.762 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.79 133.26 1.96 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 111.957 -0.457 . . . . 61.5 111.957 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -73.82 -31.38 63.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.301 0.64 . . . . 74.02 112.422 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -102.56 143.7 31.92 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.48 0.712 . . . . 73.03 111.115 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.6 m80 54.79 80.5 0.12 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.758 1.223 . . . . 72.3 112.611 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -84.75 92.93 8.34 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.442 0.697 . . . . 63.21 110.92 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.01 135.2 41.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.717 0.807 . . . . 65.14 110.992 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.83 158.38 18.14 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.77 0.828 . . . . 73.35 111.554 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -136.39 -68.7 0.49 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.666 0.786 . . . . 43.44 110.565 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -87.77 73.71 9.23 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.422 0.63 . . . . 75.44 110.314 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.9 tpp -110.93 89.96 3.19 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.7 0.8 . . . . 72.14 110.625 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -110.17 126.5 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.125 0.97 . . . . 74.45 108.883 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 64.01 95.48 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.084 0.954 . . . . 65.41 111.174 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -67.49 -50.72 57.68 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.832 0.453 . . . . 71.44 111.476 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -151.71 -79.02 0.12 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.138 0.575 . . . . 64.31 110.802 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -138.93 -65.89 0.48 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.821 0.849 . . . . 75.55 109.231 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 39.4 tt0 -140.02 83.52 15.99 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.658 0.783 . . . . 74.12 109.302 172.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.92 172.94 8.97 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.614 2.209 . . . . 62.33 113.277 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -63.79 -29.03 70.28 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.163 -0.926 . . . . 74.1 110.022 174.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.29 -38.15 85.76 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.772 1.229 . . . . 63.32 112.162 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 17' ' ' GLU . 84.7 mttt -70.16 -37.74 75.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 122.401 0.28 . . . . 65.22 111.662 175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -60.94 -48.17 83.07 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 123.276 0.36 . . . . 65.01 110.179 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 50' ' ' LEU . 89.9 mtt180 -56.38 -55.05 38.3 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 115.409 -0.814 . . . . 70.41 111.303 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.45 70.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.391 0.676 . . . . 73.45 112.256 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.61 -39.88 84.72 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.552 1.141 . . . . 65.15 112.537 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.3 mt -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.577 0.351 . . . . 75.31 111.325 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.66 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.5 mt -59.02 -34.4 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 C-N-CA 123.776 0.83 . . . . 71.31 110.248 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.58 -39.66 80.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.724 0.809 . . . . 74.05 111.616 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.636 ' HB2' HD13 ' A' ' 65' ' ' LEU . 55.6 mt-30 -78.69 -10.11 59.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.153 0.581 . . . . 63.13 112.368 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -88.55 -32.36 18.2 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.13 0.572 . . . . 64.41 110.438 168.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -76.19 -9.94 59.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.906 0.882 . . . . 64.41 111.067 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -98.84 116.04 30.18 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.167 -1.049 . . . . 74.22 108.167 160.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -151.27 173.41 14.49 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.642 0.377 . . . . 74.1 110.225 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -63.01 2.14 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 112.057 -0.417 . . . . 70.23 112.057 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 37' ' ' GLU . 39.9 pt -99.28 153.4 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.106 0.562 . . . . 74.31 112.099 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.92 -24.67 59.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.724 0.809 . . . . 74.42 112.496 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 35' ' ' ILE . 27.6 mm-40 -59.36 -53.27 60.09 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.722 0.409 . . . . 75.15 112.071 176.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.413 ' H ' HG13 ' A' ' 35' ' ' ILE . 15.6 m -73.82 -30.13 62.54 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.882 0.473 . . . . 71.24 111.622 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.78 -55.87 25.44 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.258 0.623 . . . . 73.5 110.993 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.81 -30.58 67.07 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.564 0.745 . . . . 52.1 112.109 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.94 -52.05 66.68 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.196 0.598 . . . . 62.24 110.805 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.77 -35.33 62.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 72.54 112.329 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -73.18 -35.95 66.49 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 123.105 0.562 . . . . 45.42 112.492 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.71 -41.01 85.09 Favored Glycine 0 N--CA 1.478 1.447 0 CA-C-O 121.428 0.46 . . . . 63.02 112.01 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.33 -34.77 75.8 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.332 1.053 . . . . 73.33 110.505 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.86 -38.76 64.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.465 -0.788 . . . . 75.42 112.551 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.76 81.6 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 122.997 0.519 . . . . 54.41 112.147 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -88.61 -55.35 3.75 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.469 0.708 . . . . 60.12 112.858 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.52 -49.73 10.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.176 0.806 . . . . 70.35 113.176 -169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.7 mp -49.96 -41.63 47.07 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.329 0.863 . . . . 61.35 113.329 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.18 -21.63 66.34 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 114.939 -1.028 . . . . 72.13 112.381 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -112.27 -18.69 12.46 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.985 0.914 . . . . 75.03 111.977 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 mtm -76.39 150.74 36.75 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.492 0.663 . . . . 63.42 111.835 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 m-80 -87.35 163.98 16.5 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.133 -0.94 . . . . 63.42 110.918 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.2 tm-20 -51.21 -40.84 59.61 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.779 1.232 . . . . 74.32 112.011 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.02 -42.02 97.66 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.508 1.123 . . . . 74.13 113.035 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.73 -43.79 68.18 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.65 0.78 . . . . 72.41 110.631 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD22 ' HG ' ' A' ' 50' ' ' LEU . 28.9 mt -55.68 -31.56 62.51 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.581 -1.19 . . . . 65.21 113.388 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.11 -42.15 94.25 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.132 0.573 . . . . 74.34 112.037 173.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.57 -34.35 75.66 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 116.43 -0.35 . . . . 73.52 110.333 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.8 t80 -64.22 -37.33 87.08 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.893 0.477 . . . . 72.42 111.317 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.08 -40.93 91.24 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.472 0.709 . . . . 72.14 110.673 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.3 m -64.48 -34.06 77.33 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.382 0.673 . . . . 60.25 111.903 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 98' ' ' LEU . 38.9 tp -69.53 -36.28 76.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.969 0.508 . . . . 65.34 111.055 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.0 mt -65.34 -35.77 81.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.613 0.765 . . . . 72.03 110.747 172.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.67 -21.57 66.1 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.828 1.251 . . . . 73.35 111.945 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -76.64 157.36 31.92 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.904 0.383 . . . . 64.42 111.527 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.0 125.36 28.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.532 0.733 . . . . 65.03 109.602 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.502 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.9 p-10 -42.97 -52.76 5.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.52 1.674 . . . . 75.43 115.52 -174.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -55.62 -45.24 77.56 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.316 0.487 . . . . 75.53 112.316 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -61.55 -47.6 84.78 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.778 0.431 . . . . 55.5 111.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' ASP . 57.4 mt -52.03 -45.61 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 C-N-CA 124.235 1.014 . . . . 71.44 111.38 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.89 -42.03 86.2 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.763 -1.108 . . . . 74.51 111.123 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -68.98 -34.63 75.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.069 0.547 . . . . 75.41 111.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.441 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -68.65 -37.08 79.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 120.945 0.402 . . . . 74.34 110.521 174.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -75.56 -15.82 60.33 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.768 0.827 . . . . 71.45 112.948 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -114.66 5.17 15.29 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.44 0.696 . . . . 72.35 112.807 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 67.86 21.55 9.01 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 124.776 1.23 . . . . 73.23 114.252 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -85.22 58.97 5.34 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.547 0.689 . . . . 64.12 110.779 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.08 -10.01 59.07 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.621 0.768 . . . . 75.34 112.363 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.13 -39.54 78.83 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.554 0.741 . . . . 62.14 111.964 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -91.6 -40.32 11.39 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 122.866 0.467 . . . . 74.13 111.221 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -126.62 97.22 33.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 C-N-CA 123.574 0.75 . . . . 55.32 109.808 172.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.55 152.52 80.59 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.492 2.128 . . . . 75.23 112.458 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 86' ' ' PRO . 31.0 tp -78.35 124.62 85.59 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 115.792 -0.64 . . . . 54.3 110.601 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 85' ' ' LEU . 91.7 Cg_endo -82.86 157.26 15.7 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.541 2.161 . . . . 71.02 111.786 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.79 -29.24 69.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.27 1.028 . . . . 75.25 112.512 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.53 -27.15 68.41 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.853 0.861 . . . . 73.32 113.242 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -111.81 -8.3 14.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.458 0.54 . . . . 71.12 112.458 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 1.1 12.75 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.304 0.854 . . . . 74.45 113.304 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.51 18.47 2.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.348 0.659 . . . . 70.15 111.059 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -86.27 130.08 34.64 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.79 0.836 . . . . 74.41 111.887 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.75 -43.42 72.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.132 0.573 . . . . 65.01 110.314 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.0 tp -50.27 -47.08 55.5 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.923 1.289 . . . . 64.44 113.063 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.8 tp -56.4 -46.4 80.16 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.902 0.881 . . . . 73.42 111.683 177.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.57 -33.28 68.95 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.221 -0.899 . . . . 62.44 111.377 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.05 -37.93 89.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.893 0.877 . . . . 75.44 110.877 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 64' ' ' LEU . 51.5 tp -67.27 -37.29 83.23 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.977 0.911 . . . . 73.2 111.313 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 78.9 mt-30 -70.34 -41.93 72.54 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.859 0.864 . . . . 71.41 111.843 176.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.43 -47.76 82.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.691 0.796 . . . . 61.11 110.466 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -57.94 -47.86 81.65 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.637 1.175 . . . . 73.33 111.383 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -53.98 -25.52 21.23 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.808 1.243 . . . . 74.52 113.658 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.5 -42.87 28.41 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 112.721 0.637 . . . . 64.24 112.721 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -117.23 12.99 14.56 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 113.784 1.031 . . . . 74.22 113.784 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -66.43 -17.03 64.55 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.462 1.653 . . . . 72.34 115.462 -174.527 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' HG3' ' HD2' ' A' ' 105' ' ' LYS . 48.5 mt-10 -120.63 4.25 10.63 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.429 0.692 . . . . 61.31 111.123 173.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 107' ' ' LYS . 7.2 mtpm? -114.07 10.11 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.05 0.94 . . . . 74.33 111.909 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.53 -167.24 1.82 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.306 1.043 . . . . 71.42 111.814 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.4 pt . . . . . 0 N--CA 1.483 1.175 0 C-N-CA 123.765 0.826 . . . . 75.15 111.387 173.234 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 120.694 0.283 . . . . 74.52 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.12 163.2 31.99 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.253 -0.43 . . . . 61.34 113.688 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -118.89 153.7 34.14 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.642 0.777 . . . . 73.25 110.751 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -71.93 108.2 5.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.944 0.498 . . . . 75.44 111.277 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -127.57 175.26 8.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.396 0.678 . . . . 75.12 112.126 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -71.52 133.1 45.59 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.723 0.809 . . . . 75.32 111.409 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.44 -29.03 2.72 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.168 0.803 . . . . 72.44 113.168 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -168.17 160.13 11.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 118.288 0.494 . . . . 75.11 111.742 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -137.68 175.24 9.77 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.538 0.735 . . . . 63.2 110.204 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -134.71 123.57 23.88 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.28 0.632 . . . . 74.21 110.925 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.0 OUTLIER -75.63 151.09 37.85 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.444 0.697 . . . . 62.15 110.355 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.46 122.04 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.029 0.532 . . . . 72.24 111.673 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 90.01 0.72 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.821 0.848 . . . . 73.42 110.103 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -67.93 -44.07 77.7 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.766 0.826 . . . . 74.31 111.367 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.9 p -113.55 135.58 53.74 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.313 0.645 . . . . 73.43 110.393 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -140.07 98.33 3.43 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.911 -0.774 . . . . 62.02 108.911 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 55.84 79.45 0.33 Allowed Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 125.207 1.403 . . . . 74.02 111.594 -165.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 50.3 Cg_exo -55.72 168.92 1.44 Allowed 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 123.294 2.662 . . . . 74.21 112.948 166.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.09 -42.9 75.54 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.89 0.476 . . . . 74.42 111.818 -172.185 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.25 -30.82 63.73 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.433 0.531 . . . . 54.41 112.433 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 90.3 mttt -72.5 -32.5 66.21 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 122.215 -0.303 . . . . 61.34 111.454 172.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.5 tttp -65.63 -48.59 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.131 0.573 . . . . 65.15 109.662 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' HG13 ' A' ' 27' ' ' ILE . 37.2 ttm-85 -49.22 -51.27 34.16 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.882 1.273 . . . . 65.24 110.189 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.7 96.98 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.307 -0.86 . . . . 64.41 112.511 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -65.56 -33.01 74.92 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.385 0.674 . . . . 74.14 111.555 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 78.1 mt -71.01 -45.37 64.07 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.937 0.495 . . . . 71.03 110.689 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.627 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.7 mt -54.34 -40.58 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.82 0.848 . . . . 51.41 111.502 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -58.87 -50.73 72.89 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.796 0.838 . . . . 55.31 112.011 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.535 ' HB2' HD13 ' A' ' 65' ' ' LEU . 95.0 mt-30 -72.65 -14.94 61.7 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.647 0.61 . . . . 75.14 112.647 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.1 p -89.8 -30.8 17.72 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.059 0.544 . . . . 63.15 112.292 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -77.47 -10.38 59.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.906 0.482 . . . . 73.34 111.917 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -105.66 113.09 26.44 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.967 -0.753 . . . . 53.52 108.967 163.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 65' ' ' LEU . 14.5 mmt180 -149.42 145.9 27.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.087 0.955 . . . . 70.12 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.63 -27.3 73.53 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 114.504 0.562 . . . . 75.44 114.504 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -105.38 134.6 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.472 0.709 . . . . 71.0 110.285 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.86 -41.38 97.79 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.226 0.611 . . . . 74.3 112.368 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.97 -37.98 75.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.404 0.52 . . . . 71.25 112.404 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 69' ' ' ASP . 91.8 m -68.3 -35.65 78.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.15 0.58 . . . . 74.44 110.862 173.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.35 -56.72 15.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.207 1.003 . . . . 73.13 110.609 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.62 -28.28 68.36 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.542 0.737 . . . . 73.1 112.06 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 101' ' ' PHE . 49.2 tp -64.18 -58.85 5.4 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.268 0.627 . . . . 43.13 110.767 174.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 87.0 mt -74.6 -30.04 61.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.921 0.711 . . . . 72.51 112.921 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -62.55 -56.94 13.3 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.4 0.68 . . . . 74.25 111.734 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -33.79 83.76 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.691 -0.686 . . . . 61.52 113.202 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.05 -42.15 93.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 63.33 110.401 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.08 -40.2 75.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.412 -0.813 . . . . 72.05 112.611 -176.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.86 83.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.258 0.466 . . . . 74.51 112.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -87.33 -55.71 3.69 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.652 -0.703 . . . . 70.42 112.74 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -79.96 -48.57 13.18 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.657 0.614 . . . . 64.45 112.657 -169.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.833 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.8 mp -55.99 -29.16 59.86 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.302 0.501 . . . . 73.41 112.345 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -54.99 -42.45 72.47 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.268 1.027 . . . . 73.52 111.7 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -106.7 -13.67 15.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.189 0.996 . . . . 75.33 113.022 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.48 ' SD ' HD23 ' A' ' 58' ' ' LEU . 46.7 ttm -69.26 146.42 52.3 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.636 1.174 . . . . 52.24 113.325 -171.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -73.48 155.69 38.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.71 0.804 . . . . 73.23 112.084 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.15 -43.5 61.24 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.751 1.62 . . . . 64.33 112.331 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.76 -46.93 80.08 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.918 -1.037 . . . . 62.22 111.887 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.7 -28.4 65.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.049 -0.978 . . . . 70.52 111.812 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' SD ' ' A' ' 53' ' ' MET . 68.9 mt -60.49 -37.12 80.04 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 122.904 0.482 . . . . 54.54 111.763 170.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.03 -30.51 63.8 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.75 0.42 . . . . 75.0 111.218 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.99 -34.71 78.36 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 121.132 0.491 . . . . 64.4 110.235 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.32 -36.15 76.68 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.39 0.676 . . . . 74.22 112.03 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.99 -40.49 73.39 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.76 0.824 . . . . 62.44 109.73 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -60.62 -43.46 97.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.163 0.985 . . . . 61.24 112.186 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.29 -29.09 70.47 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.045 0.938 . . . . 73.42 112.217 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 29' ' ' GLN . 78.2 mt -70.6 -20.26 62.78 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.538 0.735 . . . . 54.54 112.728 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -87.06 -13.22 44.95 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.469 0.708 . . . . 64.31 111.764 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.74 163.53 25.31 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.684 0.624 . . . . 73.42 112.684 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.63 133.09 38.49 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.077 0.951 . . . . 73.52 112.106 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -47.41 -68.87 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 115.527 1.677 . . . . 75.45 115.527 -174.097 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -56.77 -38.32 72.32 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 117.818 0.281 . . . . 71.35 111.547 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.83 -47.47 85.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.496 0.318 . . . . 61.31 111.277 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.73 -45.11 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 123.992 0.917 . . . . 72.54 111.505 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.51 -44.01 97.84 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.184 -0.917 . . . . 72.43 111.801 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' ' HB2' ' A' ' 79' ' ' ASN . 67.2 m-85 -78.82 -26.44 44.24 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.856 0.687 . . . . 51.32 112.856 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.545 ' HA ' ' HE1' ' A' ' 80' ' ' PHE . 36.3 m0 -68.4 -40.59 81.23 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.338 0.59 . . . . 70.25 110.252 170.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -67.74 -38.87 84.11 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 114.868 -1.06 . . . . 62.51 112.295 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -87.23 -6.2 58.66 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.112 0.565 . . . . 72.01 112.352 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 64.21 21.84 12.66 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.048 1.339 . . . . 74.45 111.946 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' HD1' ' A' ' 74' ' ' TYR . 89.6 m-20 -92.89 78.87 4.69 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.16 0.984 . . . . 72.55 110.412 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.545 ' HE1' ' HA ' ' A' ' 75' ' ' TRP . 22.3 m-85 -82.79 10.18 8.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.272 0.841 . . . . 73.42 113.272 -173.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -61.07 -43.68 98.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.869 0.868 . . . . 75.11 112.45 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -95.39 -36.72 11.25 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.533 0.733 . . . . 50.2 110.887 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 38.8 m -135.03 87.64 28.83 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.126 0.971 . . . . 62.21 110.86 -170.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.518 ' HA ' ' HB3' ' A' ' 80' ' ' PHE . 32.4 Cg_exo -61.17 152.18 73.66 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.809 2.339 . . . . 73.23 113.374 175.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.7 122.85 82.65 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 123.379 0.672 . . . . 60.12 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.8 Cg_exo -74.17 154.07 46.57 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.799 2.333 . . . . 75.11 111.92 171.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.168 0.987 . . . . 61.03 112.918 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.4 ptmt -55.36 -49.2 72.89 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.577 0.751 . . . . 72.01 112.597 175.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.58 -18.88 36.77 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.254 0.464 . . . . 62.51 112.254 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.83 50.69 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 113.347 0.869 . . . . 72.24 113.347 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -115.48 1.1 13.57 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.44 0.696 . . . . 75.24 112.375 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -73.38 131.94 42.44 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 112.892 0.701 . . . . 70.13 112.892 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -57.84 -43.81 86.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.396 1.079 . . . . 53.15 111.246 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -56.94 -46.71 81.88 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.957 -1.02 . . . . 74.14 112.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.68 -39.29 84.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.804 0.442 . . . . 74.54 111.776 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 66.2 mttm -61.87 -41.33 97.72 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.336 0.654 . . . . 64.01 111.111 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.28 -35.72 78.29 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.109 0.964 . . . . 70.1 111.299 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.73 -38.89 84.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.994 0.918 . . . . 74.21 111.088 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -64.89 -38.09 89.81 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.742 0.817 . . . . 71.42 111.718 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 11.1 mm-40 -62.66 -39.7 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.804 0.442 . . . . 54.14 111.89 176.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' A' ' 41' ' ' LEU . 60.2 t80 -74.16 -45.72 46.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.85 -0.159 . . . . 73.32 111.281 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.616 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t -50.19 -54.19 22.65 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.254 1.021 . . . . 51.3 112.972 -176.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.31 -23.25 51.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.563 -0.744 . . . . 63.44 111.75 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -114.9 38.02 3.29 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.836 0.854 . . . . 64.21 111.588 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -68.84 87.95 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.357 0.599 . . . . 73.32 109.835 171.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -122.75 21.41 10.01 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.009 -0.996 . . . . 75.43 111.174 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -72.78 75.77 1.13 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.043 0.925 . . . . 62.33 110.942 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -159.96 166.8 29.37 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.022 -1.445 . . . . 74.2 109.95 -176.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 122.165 0.984 . . . . 75.14 110.815 -178.279 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 110.575 -0.157 . . . . 72.25 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.46 136.96 2.1 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 121.711 -0.28 . . . . 42.53 113.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -103.08 80.03 1.81 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.525 0.73 . . . . 71.3 109.527 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -80.64 119.45 23.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.543 0.737 . . . . 72.52 110.893 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -65.41 139.16 58.51 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.006 0.522 . . . . 73.33 110.892 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.61 69.37 5.73 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.225 0.61 . . . . 74.31 111.048 -170.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -82.7 80.71 8.73 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.753 0.787 . . . . 63.31 111.534 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -136.36 121.78 19.39 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.812 0.845 . . . . 61.31 109.197 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m -65.09 -24.0 67.32 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.932 1.086 . . . . 74.4 113.932 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -70.72 -28.56 64.82 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.323 0.49 . . . . 74.43 112.323 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.93 121.13 24.5 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.814 0.446 . . . . 61.23 110.228 -178.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -81.2 106.97 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 123.378 0.671 . . . . 72.45 111.168 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.86 88.54 2.68 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.336 1.054 . . . . 43.52 110.098 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -70.49 -46.01 64.57 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.485 -0.779 . . . . 75.35 112.202 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -71.8 84.98 0.93 Allowed 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.529 0.68 . . . . 62.12 111.056 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -119.45 44.38 2.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.377 1.071 . . . . 72.34 108.722 172.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -96.49 109.92 50.29 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 124.515 1.126 . . . . 61.53 111.509 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 72.0 Cg_endo -75.48 164.01 33.26 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.292 1.995 . . . . 73.22 111.132 158.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.91 -27.98 69.22 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.22 0.608 . . . . 71.04 110.025 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.93 -30.09 71.29 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.664 0.786 . . . . 55.01 112.968 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 39.3 mttp -71.84 -27.88 63.19 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.276 0.489 . . . . 70.14 111.901 173.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 78.4 tttt -68.48 -50.75 50.04 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.91 -0.404 . . . . 72.41 109.91 171.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.6 -42.47 78.81 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.634 0.774 . . . . 74.3 111.634 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.601 0.76 . . . . 65.2 111.72 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -60.77 -41.38 95.36 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.96 0.904 . . . . 64.02 111.437 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.1 mt -71.38 -44.12 65.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.007 0.523 . . . . 51.21 111.964 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.571 HG12 ' HB1' ' A' ' 46' ' ' ALA . 57.7 mt -62.68 -29.5 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 123.006 0.522 . . . . 72.31 110.848 171.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -73.39 -40.02 64.64 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.792 0.837 . . . . 75.31 112.4 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 65' ' ' LEU . 98.4 mt-30 -76.39 -14.68 60.06 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.224 0.609 . . . . 64.52 111.778 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.4 p -87.0 -17.83 32.07 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.449 0.7 . . . . 55.51 111.128 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -20.92 29.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.325 0.65 . . . . 74.01 111.281 171.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.49 111.46 23.56 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.559 -0.904 . . . . 72.24 108.559 171.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 5.0 mmp_? -147.29 156.06 42.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 74.44 110.525 -171.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.8 -35.42 35.68 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-N 115.832 -0.622 . . . . 71.02 113.818 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 69' ' ' ASP . 48.9 pt -128.18 154.89 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 117.546 0.673 . . . . 72.12 111.722 175.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.27 -28.86 62.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.867 0.867 . . . . 73.31 112.795 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.5 -38.35 84.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 122.002 -0.436 . . . . 75.33 112.105 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.8 m -73.49 -28.53 61.97 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.898 0.479 . . . . 70.13 111.142 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t70 -64.82 -48.31 74.85 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.786 0.434 . . . . 71.23 111.731 171.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.05 -28.31 68.11 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.197 0.599 . . . . 71.24 111.1 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 tp -73.03 -57.53 3.97 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.777 0.831 . . . . 73.44 111.386 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD11 HD13 ' A' ' 72' ' ' ILE . 57.6 mt -76.51 -46.57 26.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.615 0.968 . . . . 72.33 113.615 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.9 t -69.17 -31.06 69.45 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 118.43 0.559 . . . . 70.43 111.624 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.02 -45.38 73.1 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 121.405 0.447 . . . . 62.33 112.355 169.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.39 -33.68 71.51 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.51 1.124 . . . . 73.12 110.829 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.98 -39.02 63.97 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.685 0.794 . . . . 74.03 112.391 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.84 67.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.121 0.415 . . . . 73.35 112.121 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -88.98 -56.9 3.1 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 123.143 0.577 . . . . 73.42 112.224 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -80.8 -41.75 22.82 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.35 0.87 . . . . 75.5 113.35 -169.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.0 mp -60.45 -21.04 61.86 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.031 0.752 . . . . 74.23 113.031 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.33 -26.74 68.6 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.049 0.94 . . . . 64.35 112.427 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -114.51 -13.77 12.17 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.986 0.915 . . . . 72.05 112.382 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.534 ' SD ' HD23 ' A' ' 58' ' ' LEU . 59.0 ttm -71.14 130.72 42.21 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.345 1.058 . . . . 60.14 113.824 -167.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -83.23 167.05 18.05 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.958 0.903 . . . . 62.1 111.88 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.69 -44.2 66.13 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 124.732 1.213 . . . . 72.12 112.649 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.05 -40.08 88.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.516 1.127 . . . . 61.41 112.725 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -78.43 -31.53 48.16 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.851 0.86 . . . . 72.34 111.295 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD23 ' SD ' ' A' ' 53' ' ' MET . 77.5 mt -65.34 -45.0 85.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.46 1.104 . . . . 72.12 111.848 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.49 -29.16 68.52 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.878 0.37 . . . . 73.55 111.53 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.66 -43.24 80.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.944 -0.571 . . . . 72.44 110.498 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.419 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 58.7 t80 -62.51 -36.88 83.95 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.271 0.629 . . . . 75.12 111.617 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.7 t70 -56.94 -47.61 80.24 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.982 0.513 . . . . 75.13 110.749 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 m -54.31 -40.21 67.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.64 0.776 . . . . 74.33 111.856 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 HD22 ' A' ' 98' ' ' LEU . 32.2 tp -66.78 -34.36 77.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.001 0.92 . . . . 70.34 111.846 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 29' ' ' GLN . 38.5 mt -70.47 -27.77 64.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.648 0.779 . . . . 61.42 111.753 176.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -84.22 -3.48 58.21 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.106 0.562 . . . . 63.05 112.022 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -84.22 164.45 19.09 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.177 0.513 . . . . 64.43 110.608 173.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.76 133.23 35.62 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.057 -0.52 . . . . 71.35 110.568 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' HB3' HG12 ' A' ' 35' ' ' ILE . 7.9 m-20 -46.63 -58.7 3.58 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.066 1.506 . . . . 71.42 115.066 -172.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -59.78 -35.24 74.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.397 -0.335 . . . . 74.33 111.56 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.15 -47.26 71.56 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.148 0.579 . . . . 74.41 110.869 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 42' ' ' LEU . 72.4 mt -50.88 -47.24 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 124.447 1.099 . . . . 72.43 110.463 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.59 -38.84 84.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.031 -1.441 . . . . 71.44 111.916 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -71.16 -42.24 69.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.201 0.6 . . . . 75.13 111.449 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -63.56 -34.63 78.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.161 0.505 . . . . 73.53 110.471 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -71.14 -32.18 68.63 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.809 0.844 . . . . 60.44 112.742 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -102.04 11.92 37.66 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.613 0.765 . . . . 74.52 112.222 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 55.07 70.91 0.58 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.984 1.313 . . . . 74.32 112.492 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -140.54 102.45 4.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.806 0.842 . . . . 65.32 109.014 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.76 5.17 15.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.633 0.773 . . . . 72.21 111.733 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.65 -40.2 63.91 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.032 0.933 . . . . 71.34 110.789 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -97.38 -33.53 11.38 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.478 0.711 . . . . 72.32 111.968 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -134.98 92.9 17.92 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.286 0.634 . . . . 73.23 110.695 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.24 154.14 69.76 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.1 2.533 . . . . 72.32 112.994 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.94 123.35 66.37 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 123.148 0.579 . . . . 63.13 111.713 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 16.4 Cg_exo -70.18 153.08 67.34 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.694 2.263 . . . . 75.2 112.639 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.14 -32.59 68.3 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.032 0.933 . . . . 64.24 112.183 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 62.6 pttt -63.36 -25.43 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.527 0.731 . . . . 75.13 112.436 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.479 ' HB3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 -100.75 -26.63 13.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.192 0.597 . . . . 74.41 112.217 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.71 71.44 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.381 0.672 . . . . 74.34 112.543 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -105.27 2.12 28.7 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.434 0.694 . . . . 70.42 112.303 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -81.79 128.26 33.83 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.81 0.67 . . . . 75.42 112.81 -171.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -60.51 -38.44 84.37 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.29 1.036 . . . . 60.4 110.823 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.07 -48.25 80.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.994 0.918 . . . . 73.22 112.471 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 89' ' ' TRP . 27.9 tp -62.06 -40.16 94.85 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.806 0.442 . . . . 63.4 111.272 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.31 -49.47 76.89 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.515 0.726 . . . . 70.01 110.613 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.208 1.003 . . . . 71.31 111.711 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.44 HD22 HD21 ' A' ' 64' ' ' LEU . 35.6 tp -67.55 -44.59 77.93 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.76 0.824 . . . . 65.31 111.522 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 79.3 mt-30 -64.91 -37.57 88.07 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.575 0.75 . . . . 64.32 111.388 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.7 -35.31 79.83 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.406 0.683 . . . . 73.23 111.098 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.8 -34.75 69.65 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.518 0.327 . . . . 71.22 110.713 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.449 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 64.5 m -60.66 -32.75 71.93 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 122.746 0.419 . . . . 72.44 111.313 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.56 -33.34 60.63 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.6 -0.727 . . . . 72.22 111.576 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.492 ' HB3' ' HB3' ' A' ' 108' ' ' GLU . 46.8 m-80 -117.96 39.36 3.4 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.219 1.007 . . . . 73.42 113.016 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -67.29 -55.5 13.64 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.426 0.632 . . . . 75.41 110.375 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -124.93 14.99 8.56 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.59 1.156 . . . . 50.14 110.027 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -117.28 -9.84 10.88 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.519 0.933 . . . . 71.5 113.519 -168.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 104' ' ' ASN . 0.8 OUTLIER -66.71 132.23 47.66 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.393 0.677 . . . . 71.23 111.205 -177.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.496 1.87 0 C-N-CA 123.845 0.858 . . . . 73.1 111.9 -177.831 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 CA--C 1.566 1.564 0 CA-C-O 118.531 -0.747 . . . . 61.21 109.581 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.46 58.34 Favored Glycine 0 C--N 1.365 2.183 0 N-CA-C 116.981 1.552 . . . . 55.5 116.981 168.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -79.47 -81.86 0.11 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.019 0.91 . . . . 60.34 111.121 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -92.35 80.62 4.94 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 109.112 -0.699 . . . . 75.14 109.112 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -104.51 146.86 28.27 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.747 0.819 . . . . 73.15 112.44 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -131.94 -78.43 0.51 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.665 0.786 . . . . 61.03 109.812 169.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -141.77 -79.56 0.25 Allowed 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.337 0.655 . . . . 63.04 111.051 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 58.54 -163.54 0.21 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.896 0.879 . . . . 70.32 110.95 -168.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m 67.85 -173.56 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.48 0.919 . . . . 43.2 113.48 170.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -89.97 -46.55 8.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.108 0.563 . . . . 74.42 111.715 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.8 mmt 63.05 178.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.718 1.207 . . . . 64.45 113.355 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.53 145.74 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 C-N-CA 123.97 0.908 . . . . 61.33 110.235 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.59 94.09 2.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.863 0.865 . . . . 63.53 111.138 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -94.76 -27.99 15.51 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.38 0.672 . . . . 71.12 112.286 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -73.45 110.14 7.51 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.99 0.516 . . . . 54.23 111.064 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -150.93 -176.6 5.59 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 65.21 111.12 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -101.1 117.65 61.89 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 122.901 0.48 . . . . 70.41 109.711 166.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' ' HD3' ' A' ' 21' ' ' LYS . 51.0 Cg_exo -55.35 154.0 25.64 Favored 'Trans proline' 0 C--N 1.388 2.637 0 C-N-CA 123.133 2.555 . . . . 73.43 112.537 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.408 HD11 ' HG2' ' A' ' 55' ' ' GLU . 4.3 mm? -60.28 -28.7 68.29 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.304 0.853 . . . . 72.32 113.304 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.98 -47.81 81.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.262 0.625 . . . . 73.41 111.235 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HD3' ' HD2' ' A' ' 18' ' ' PRO . 52.1 mtpt -74.18 -29.58 61.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.297 0.639 . . . . 34.14 112.158 177.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.49 -53.76 11.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.954 0.902 . . . . 64.23 110.134 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 34.9 ttp-105 -55.78 -41.18 73.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.289 1.036 . . . . 73.12 111.375 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.67 95.46 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.088 0.555 . . . . 64.25 111.631 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.85 -32.47 73.01 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.255 1.022 . . . . 62.41 111.867 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 50' ' ' LEU . 93.5 mt -74.89 -44.11 50.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.945 0.498 . . . . 51.13 111.58 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.758 HG12 ' HB1' ' A' ' 46' ' ' ALA . 53.7 mt -62.51 -33.47 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 121.122 0.486 . . . . 74.41 110.587 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 123.944 0.898 . . . . 54.43 111.953 170.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 26.6 mt-30 -74.52 -17.15 60.79 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.12 0.568 . . . . 64.25 112.377 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.5 p -83.75 -26.41 29.7 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.77 0.428 . . . . 70.34 111.229 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 76.5 mtp180 -85.58 -9.65 57.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.275 0.63 . . . . 73.34 111.514 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -107.59 111.22 23.36 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.47 -0.567 . . . . 73.15 109.47 164.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.682 ' HD2' HD12 ' A' ' 42' ' ' LEU . 4.6 mmp_? -138.09 -168.26 2.32 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.283 1.033 . . . . 74.14 110.133 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.38 -44.89 3.37 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 116.091 -0.504 . . . . 74.53 112.657 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 38' ' ' THR . 42.9 pt -117.71 150.92 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.557 0.743 . . . . 74.21 110.84 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.81 -19.87 61.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.329 0.651 . . . . 72.44 112.71 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.09 -43.9 85.96 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.818 0.281 . . . . 70.32 111.48 171.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' H ' HG13 ' A' ' 35' ' ' ILE . 24.5 m -73.44 -29.79 62.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.248 0.219 . . . . 45.01 111.179 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -57.62 -58.14 9.63 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 117.851 0.296 . . . . 73.14 111.055 168.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.3 -31.75 72.39 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.432 0.693 . . . . 75.52 112.054 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -69.01 -60.24 2.49 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.256 0.623 . . . . 50.12 111.134 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 33' ' ' ARG . 40.4 mt -74.47 -33.21 62.82 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.574 0.953 . . . . 63.12 113.574 -173.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -70.54 -37.07 74.0 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 118.234 0.47 . . . . 61.23 111.557 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -41.82 89.07 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 121.438 0.465 . . . . 40.15 112.045 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -60.98 -33.63 73.51 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.449 1.1 . . . . 75.34 110.338 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.34 -40.34 64.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.465 0.706 . . . . 70.3 112.237 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.13 74.94 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.188 0.518 . . . . 62.33 112.05 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -87.87 -54.62 4.15 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.581 0.752 . . . . 65.11 112.544 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -82.59 -41.32 19.68 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.935 1.087 . . . . 71.24 113.935 -170.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -60.59 -22.1 63.36 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 119.182 0.901 . . . . 74.24 111.995 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -29.93 70.79 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 124.056 0.942 . . . . 63.01 112.068 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -118.45 -24.06 6.96 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.292 1.219 . . . . 63.1 114.292 -177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.0 mtm -71.43 148.48 46.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 112.921 0.711 . . . . 61.12 112.921 -170.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -81.85 166.93 19.52 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.656 -1.156 . . . . 72.4 111.284 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 19' ' ' LEU . 43.5 mt-10 -50.22 -46.34 54.58 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.269 1.028 . . . . 75.23 112.692 -177.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.51 -36.22 83.48 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.724 0.81 . . . . 65.55 112.81 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.08 -40.04 68.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.468 0.707 . . . . 53.22 111.34 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -60.23 -44.98 94.74 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.71 1.004 . . . . 62.41 113.71 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.86 -26.2 60.44 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.95 -0.469 . . . . 63.33 111.404 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.92 -37.33 78.87 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 120.956 0.407 . . . . 73.43 110.436 168.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 55.2 t80 -64.61 -34.31 77.97 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.391 0.676 . . . . 72.24 111.201 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 65' ' ' LEU . 53.6 t0 -56.99 -46.99 81.85 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.227 0.611 . . . . 71.04 109.96 172.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -59.33 -34.35 72.24 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.463 0.705 . . . . 72.2 112.651 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 98' ' ' LEU . 41.6 tp -67.82 -35.14 78.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.414 0.685 . . . . 71.44 111.237 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 37.5 mt -70.76 -23.19 62.37 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.855 0.862 . . . . 73.22 111.428 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -88.6 7.43 33.38 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.1 0.56 . . . . 74.11 112.103 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -92.22 171.68 8.91 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.499 0.666 . . . . 71.34 112.436 174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.34 128.91 35.1 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.945 -1.025 . . . . 63.35 110.973 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -53.34 -53.09 56.08 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.003 1.321 . . . . 72.43 114.494 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.49 -35.99 77.26 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 111.887 0.328 . . . . 73.44 111.887 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.98 -51.48 66.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.654 0.382 . . . . 73.21 110.702 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 42' ' ' LEU . 64.9 mt -50.3 -44.89 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.108 0.963 . . . . 74.11 111.283 174.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -67.88 -43.23 79.83 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.821 -1.081 . . . . 72.02 111.903 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 80' ' ' PHE . 30.9 m-85 -76.55 -28.43 56.29 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 112.933 0.716 . . . . 75.31 112.933 -177.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.615 ' HB3' HD11 ' A' ' 95' ' ' LEU . 30.6 m0 -68.52 -43.5 76.62 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 109.815 -0.439 . . . . 71.51 109.815 173.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -63.38 -52.56 61.16 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.365 1.066 . . . . 65.22 112.273 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.7 p -68.85 -16.13 63.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.363 0.665 . . . . 61.32 111.959 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 64.4 21.16 12.41 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.103 1.361 . . . . 74.03 111.256 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -76.45 -52.76 9.2 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.689 -0.856 . . . . 75.44 108.689 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 74' ' ' TYR . 97.3 m-85 65.28 -79.13 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.795 1.638 . . . . 75.22 110.563 -173.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 51.41 -74.82 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.804 2.042 . . . . 75.2 113.805 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -96.33 -24.46 16.17 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.137 0.975 . . . . 43.31 111.686 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -112.66 96.98 39.27 Favored Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.394 1.078 . . . . 70.54 110.841 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.06 169.84 20.82 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.98 2.454 . . . . 55.24 113.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -89.16 120.13 69.8 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 122.791 0.436 . . . . 64.21 111.519 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.63 166.64 28.79 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 123.215 2.61 . . . . 74.13 113.011 173.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.99 -41.11 87.32 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.97 0.908 . . . . 44.54 112.317 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -67.45 -13.97 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.601 0.761 . . . . 72.13 113.011 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -105.65 -15.85 14.85 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.398 0.679 . . . . 61.24 112.13 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.17 118.43 8.57 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 109.867 -0.419 . . . . 41.01 109.867 170.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 71.41 26.86 3.2 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 125.696 1.599 . . . . 41.21 112.501 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -80.64 130.23 34.98 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.052 0.541 . . . . 62.31 111.776 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.76 -43.78 95.38 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.116 0.566 . . . . 74.14 110.705 174.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HA ' HE21 ' A' ' 97' ' ' GLN . 41.7 tp -57.87 -40.5 80.36 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.291 1.036 . . . . 75.13 111.749 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 75' ' ' TRP . 47.7 tp -62.05 -48.29 80.91 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.748 -0.66 . . . . 63.54 111.244 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -58.75 -41.57 86.82 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.654 0.781 . . . . 62.51 111.498 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.556 HE21 ' HA ' ' A' ' 94' ' ' LEU . 24.5 mt-30 -59.52 -43.25 93.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.525 1.13 . . . . 72.25 111.584 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 64' ' ' LEU . 37.6 tp -70.04 -36.77 75.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.062 0.945 . . . . 73.34 112.141 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.65 -49.57 62.22 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.567 0.747 . . . . 62.15 112.186 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.14 -27.63 64.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.868 0.467 . . . . 65.34 110.784 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.93 -50.74 65.26 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.801 0.441 . . . . 74.3 110.802 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.438 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.4 t -55.0 -28.48 52.3 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.472 0.709 . . . . 71.1 112.502 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.32 -44.73 71.12 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.722 0.809 . . . . 70.33 111.89 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -116.84 22.6 12.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.083 0.953 . . . . 62.12 112.82 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.4 -29.32 70.39 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.452 1.279 . . . . 74.01 114.452 -169.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -115.2 20.06 15.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.64 0.776 . . . . 73.24 111.509 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -93.06 77.84 4.64 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.435 0.635 . . . . 73.45 111.493 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -107.29 -175.4 2.78 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.436 0.695 . . . . 72.23 109.539 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.494 1.768 0 C-N-CA 123.569 0.748 . . . . 73.02 111.856 177.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.407 0.146 . . . . 71.14 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.66 -175.02 40.71 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 114.521 0.568 . . . . 74.52 114.521 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 69.1 1.6 3.27 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 125.261 1.425 . . . . 60.3 114.304 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -144.92 -7.35 0.65 Allowed 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.749 1.018 . . . . 74.11 113.749 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -76.88 -42.52 39.5 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.72 0.637 . . . . 72.54 112.72 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.0 m80 64.53 31.19 12.53 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 124.241 1.016 . . . . 74.22 112.862 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -70.58 88.3 0.68 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.633 0.73 . . . . 73.33 109.561 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -78.4 -17.68 56.07 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.975 0.91 . . . . 71.11 113.094 -173.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t 59.95 -166.19 0.19 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.203 1.001 . . . . 50.55 111.197 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -134.23 146.16 49.84 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.463 0.705 . . . . 62.42 110.006 171.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.8 mtt -111.98 -170.46 1.66 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.746 0.818 . . . . 75.41 110.049 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.1 92.11 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 123.042 0.537 . . . . 64.24 110.134 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -102.35 140.03 37.17 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.093 0.957 . . . . 70.5 110.536 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.7 mtt85 56.27 82.79 0.1 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.106 1.362 . . . . 71.24 113.014 174.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -137.34 136.34 37.85 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.557 -0.747 . . . . 74.14 110.893 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.97 -50.06 6.92 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.645 0.736 . . . . 71.43 109.463 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 38.6 tt0 -131.86 101.03 15.59 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.36 1.064 . . . . 74.02 110.338 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.16 160.89 17.63 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.341 2.027 . . . . 62.0 111.635 159.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -28.6 70.05 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.106 0.562 . . . . 74.05 111.34 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.2 -41.93 94.01 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.623 0.769 . . . . 74.32 111.496 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . 93.0 mttt -67.35 -37.27 82.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 111.949 0.351 . . . . 75.1 111.949 175.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -60.3 -49.83 76.05 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 122.588 0.355 . . . . 64.24 110.996 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 58.3 ttp85 -53.7 -50.31 66.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.74 0.816 . . . . 73.42 111.395 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.83 95.4 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.097 0.559 . . . . 64.23 112.493 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.93 -42.76 97.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.47 0.708 . . . . 74.24 111.723 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -44.66 91.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.054 0.541 . . . . 72.43 111.729 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 79.3 mt -55.86 -42.81 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.904 0.482 . . . . 64.21 110.763 173.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.94 -46.46 90.61 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.218 0.607 . . . . 74.52 111.907 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.573 ' HB2' HD13 ' A' ' 65' ' ' LEU . 54.8 mt-30 -71.81 -15.52 62.15 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.427 0.691 . . . . 72.34 112.16 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.7 m -78.99 -40.31 31.87 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.061 0.944 . . . . 61.41 111.051 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 64.3 mtp180 -80.06 -14.34 58.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.126 -0.943 . . . . 65.21 110.816 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -86.78 111.2 20.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 107.352 -1.351 . . . . 62.3 107.352 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' HD3' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -154.38 150.25 27.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.919 0.39 . . . . 54.11 111.549 -172.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.66 -42.14 40.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.811 -0.632 . . . . 65.14 113.758 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' ' 69' ' ' ASP . 37.6 pt -116.27 154.25 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.842 0.457 . . . . 72.53 111.44 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.46 -24.29 60.2 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.058 0.943 . . . . 71.31 112.772 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -64.53 -53.24 51.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.371 0.605 . . . . 72.12 111.433 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.443 ' H ' HG13 ' A' ' 35' ' ' ILE . 39.1 m -72.93 -29.65 63.28 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.843 0.857 . . . . 62.21 111.319 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.52 -58.91 5.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.492 0.717 . . . . 71.2 112.041 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.61 -27.73 67.93 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.232 0.613 . . . . 74.42 111.762 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 tp -64.45 -59.68 4.05 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.831 0.852 . . . . 71.45 111.648 175.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 ' HD3' ' A' ' 33' ' ' ARG . 79.9 mt -75.59 -32.54 60.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 74.03 113.153 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -62.81 -47.11 84.85 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.031 0.532 . . . . 75.24 110.882 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.44 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 115.456 -0.793 . . . . 64.31 112.871 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.51 -41.74 97.77 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.799 0.839 . . . . 71.45 111.254 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.81 -40.13 72.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.148 0.579 . . . . 55.32 112.419 -177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.52 -25.92 64.27 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.295 0.638 . . . . 74.24 112.237 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -92.04 -54.21 3.93 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.673 0.789 . . . . 74.4 112.841 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -82.01 -46.2 14.29 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.045 1.128 . . . . 75.31 114.045 -168.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -54.63 -20.49 8.21 Favored 'General case' 0 N--CA 1.509 2.507 0 N-CA-C 113.74 1.015 . . . . 73.42 113.74 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 75.6 mmtt -55.33 -42.48 73.85 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.971 0.908 . . . . 72.03 112.45 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HD3' ' HB2' ' A' ' 51' ' ' LYS . 3.3 mppt? -113.88 -22.57 10.07 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.427 0.691 . . . . 73.25 112.619 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.6 ttp -70.25 133.56 47.15 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.476 0.71 . . . . 63.23 112.159 -170.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 m120 -70.07 160.02 32.77 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.001 1.111 . . . . 73.33 114.001 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.4 mp0 -48.79 -51.41 29.36 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 126.224 1.81 . . . . 42.05 112.061 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.63 -36.49 83.86 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.835 -1.53 . . . . 55.44 112.666 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.11 -32.22 68.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.382 0.673 . . . . 75.33 111.19 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 50' ' ' LEU . 44.7 mt -64.72 -32.37 74.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.126 0.971 . . . . 62.35 112.194 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.2 -28.81 60.14 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.025 0.53 . . . . 73.42 111.742 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.75 -34.62 75.9 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.98 -0.378 . . . . 74.11 109.98 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.8 t80 -66.64 -38.5 87.0 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.0 0.37 . . . . 63.31 112.0 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.34 -40.36 81.96 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.36 0.664 . . . . 65.02 110.8 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -58.79 -41.85 87.7 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.569 0.748 . . . . 34.03 111.718 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 98' ' ' LEU . 33.4 tp -69.09 -34.95 75.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.467 0.707 . . . . 73.2 111.613 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 29' ' ' GLN . 84.6 mt -69.98 -18.95 63.36 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.215 0.606 . . . . 74.44 111.576 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.31 -0.91 52.34 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.122 0.969 . . . . 65.33 112.212 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.04 169.37 18.31 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.341 0.657 . . . . 63.3 111.332 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.51 140.47 44.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.121 0.568 . . . . 55.41 111.35 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' ' 35' ' ' ILE . 25.2 m-20 -51.39 -69.27 0.12 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.559 1.144 . . . . 74.41 113.497 -172.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -54.34 -36.81 64.2 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.323 0.649 . . . . 71.5 112.701 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.62 -49.47 76.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.652 0.781 . . . . 63.1 111.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.32 -43.84 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 C-N-CA 123.655 0.782 . . . . 65.11 110.973 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -65.21 -46.57 80.17 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.801 -1.09 . . . . 73.51 111.72 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.04 -33.12 71.56 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.704 0.631 . . . . 74.43 112.704 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -66.84 -39.88 87.78 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.081 0.467 . . . . 70.35 110.667 174.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -70.72 -34.42 71.88 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.538 -0.756 . . . . 51.54 111.934 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.4 p -98.69 15.21 25.96 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.603 0.761 . . . . 64.14 112.606 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 tttp 67.47 4.84 3.98 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 124.197 0.999 . . . . 74.2 113.222 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -88.1 69.87 9.29 Favored 'General case' 0 CA--C 1.561 1.372 0 O-C-N 120.9 -1.125 . . . . 71.31 110.626 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -81.09 -11.43 59.49 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.756 0.822 . . . . 71.2 113.04 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -57.28 -44.27 83.86 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.381 0.673 . . . . 45.33 111.623 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -86.25 -41.81 14.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.056 -0.975 . . . . 40.45 111.852 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 m -126.63 94.93 39.05 Favored Pre-proline 0 N--CA 1.493 1.713 0 C-N-CA 123.088 0.555 . . . . 55.22 110.784 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.13 151.19 80.42 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.016 2.477 . . . . 64.12 112.98 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -82.5 119.99 75.84 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 122.659 0.384 . . . . 71.34 110.887 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.618 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.1 Cg_exo -74.26 157.89 45.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.795 2.33 . . . . 75.44 112.445 173.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.49 -31.48 70.51 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.186 0.994 . . . . 74.01 112.14 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.618 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -61.18 -26.51 67.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.092 0.957 . . . . 54.14 113.315 178.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -107.17 -10.77 15.77 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 112.671 0.619 . . . . 73.11 112.671 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.09 71.4 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.689 0.795 . . . . 50.55 113.114 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.83 4.74 21.98 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.452 0.701 . . . . 75.21 112.33 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -73.59 126.58 30.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.279 0.632 . . . . 74.4 112.663 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -52.96 -48.35 67.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.574 1.149 . . . . 64.32 111.324 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.55 -47.22 66.9 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.085 1.354 . . . . 54.43 113.789 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.51 -41.63 98.96 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.385 -0.371 . . . . 71.55 111.466 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.5 87.02 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.3 -0.409 . . . . 51.44 110.826 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.8 -42.51 93.61 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.634 0.774 . . . . 72.34 111.273 171.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 64' ' ' LEU . 42.9 tp -67.7 -39.92 84.35 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.188 0.995 . . . . 75.33 111.615 -177.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.27 -38.91 82.21 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.699 0.8 . . . . 74.34 111.49 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -61.68 -43.27 99.18 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.247 0.619 . . . . 71.31 111.12 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -69.87 -44.6 69.48 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.352 -0.385 . . . . 65.24 111.87 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.445 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 35.2 t -51.95 -50.52 61.03 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.891 0.876 . . . . 63.2 112.895 -173.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -75.21 -34.67 61.5 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 122.851 0.46 . . . . 72.2 111.679 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -111.92 40.12 2.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 74.25 112.516 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.39 -59.57 4.52 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.023 0.439 . . . . 55.01 110.183 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -146.04 -74.8 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.69 1.196 . . . . 53.13 108.904 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.27 101.73 3.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.471 1.108 . . . . 72.11 110.659 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -160.99 178.04 9.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.493 0.717 . . . . 73.42 111.312 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 N--CA 1.481 1.094 0 C-N-CA 123.009 0.523 . . . . 60.15 110.669 175.817 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.837 -0.061 . . . . 73.55 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.52 72.33 0.09 OUTLIER Glycine 0 C--N 1.349 1.3 0 O-C-N 123.163 0.29 . . . . 65.1 112.667 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -102.51 163.47 12.21 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.195 0.522 . . . . 73.11 111.814 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -142.05 165.74 26.63 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.057 0.943 . . . . 64.14 110.297 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -83.95 153.28 24.0 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.237 0.615 . . . . 73.32 110.805 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -76.0 82.77 2.88 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.406 0.622 . . . . 73.24 109.931 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -97.27 71.63 2.39 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 121.63 0.729 . . . . 72.43 110.705 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -162.24 11.69 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.015 -0.993 . . . . 73.24 110.821 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -88.64 170.77 10.53 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.384 0.674 . . . . 72.51 111.576 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -82.05 90.77 6.54 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.961 0.505 . . . . 74.33 111.108 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ttt -145.43 75.02 1.42 Allowed 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.872 0.844 . . . . 63.05 111.506 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.82 75.79 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.451 -1.314 . . . . 41.31 107.451 165.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -109.65 -30.3 7.96 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.358 -0.837 . . . . 65.14 112.387 -169.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -68.2 107.59 2.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.472 0.545 . . . . 73.34 112.472 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -115.02 162.54 16.85 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.206 1.003 . . . . 55.14 108.357 165.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 72.6 164.29 0.28 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.403 1.081 . . . . 73.22 112.107 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 50.69 62.82 10.93 Favored Pre-proline 0 CA--C 1.561 1.389 0 CA-C-N 115.183 -0.917 . . . . 65.44 109.536 -161.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.42 143.85 97.82 Favored 'Trans proline' 0 C--N 1.392 2.817 0 C-N-CA 122.67 2.247 . . . . 73.45 111.572 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' A' ' 55' ' ' GLU . 3.8 mm? -57.66 -32.07 66.94 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.182 0.593 . . . . 71.52 112.222 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.88 -49.81 76.37 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 123.699 0.8 . . . . 74.12 110.726 173.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.61 -27.04 51.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.244 1.018 . . . . 72.42 112.83 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HZ2' HD11 ' A' ' 26' ' ' LEU . 52.7 tttm -71.9 -45.81 59.93 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.145 -0.687 . . . . 52.33 109.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HA ' HD23 ' A' ' 50' ' ' LEU . 98.7 mtt180 -57.92 -47.1 83.85 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.091 -0.959 . . . . 64.52 110.511 172.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.66 88.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.92 0.488 . . . . 71.22 111.803 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -69.52 -38.51 77.59 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.386 1.074 . . . . 74.25 112.239 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.63 HD11 ' HZ2' ' A' ' 22' ' ' LYS . 85.2 mt -72.65 -44.86 61.32 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.412 0.285 . . . . 52.24 111.104 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -61.98 -31.02 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 123.615 0.766 . . . . 74.22 111.129 173.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -63.74 -48.19 77.99 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 122.003 -0.436 . . . . 43.23 111.203 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' HD13 ' A' ' 65' ' ' LEU . 96.8 mt-30 -80.68 -6.16 58.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.63 0.604 . . . . 74.23 112.63 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 59.9 p -85.87 -28.91 24.09 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.818 0.447 . . . . 73.12 109.98 167.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -84.76 -19.36 32.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.633 -0.712 . . . . 74.41 111.764 170.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -93.85 111.06 22.7 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 106.986 -1.487 . . . . 61.12 106.986 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -148.74 169.51 20.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.51 0.724 . . . . 74.41 111.51 -163.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.86 -58.98 3.58 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.011 -0.995 . . . . 71.31 111.425 165.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' ' 69' ' ' ASP . 36.1 pt -108.01 149.25 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 122.992 0.517 . . . . 75.33 111.552 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.5 mm? -74.02 -16.83 61.04 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.876 0.695 . . . . 65.23 112.876 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.55 -46.09 64.24 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 118.268 0.486 . . . . 65.24 111.422 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . 46.8 m -70.31 -30.01 66.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.048 0.539 . . . . 45.42 110.832 174.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 3.3 t70 -54.47 -57.99 9.2 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.788 0.435 . . . . 70.41 111.024 168.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.413 0.685 . . . . 72.14 112.287 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.01 -60.31 3.18 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.724 0.81 . . . . 73.15 111.844 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 75.7 mt -75.77 -27.38 58.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.101 0.778 . . . . 50.32 113.101 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 t -64.32 -50.46 67.74 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.346 0.658 . . . . 74.32 111.166 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.39 94.67 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 115.822 -0.626 . . . . 70.42 112.852 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.77 -43.15 94.49 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.704 0.801 . . . . 64.51 110.692 176.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.707 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -66.97 -46.02 75.94 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.109 -0.95 . . . . 74.2 112.152 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.14 73.23 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.861 -0.609 . . . . 50.45 112.466 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -83.53 -54.22 5.11 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.073 0.549 . . . . 65.34 111.93 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -81.72 -41.42 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.863 1.06 . . . . 63.44 113.863 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.9 mp -59.48 -37.95 79.58 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.005 0.743 . . . . 72.12 113.005 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.86 -33.65 70.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.579 0.751 . . . . 61.25 112.296 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -99.7 -13.77 19.18 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.288 0.635 . . . . 65.32 112.168 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtm -88.37 139.97 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.445 0.64 . . . . 74.23 111.863 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -90.44 173.98 7.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.06 0.944 . . . . 73.25 109.905 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.8 tt0 -62.83 -33.71 75.81 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.449 0.699 . . . . 75.53 112.401 -171.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.15 -30.41 71.47 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.852 0.861 . . . . 73.13 112.532 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.57 -45.86 16.68 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 123.693 0.797 . . . . 65.44 111.039 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.576 HD22 ' HG ' ' A' ' 50' ' ' LEU . 20.9 mt -58.16 -27.36 63.74 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.649 1.351 . . . . 72.25 114.649 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.01 -32.02 73.55 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.16 0.437 . . . . 62.12 112.082 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.73 -37.44 65.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.066 0.46 . . . . 72.2 109.955 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.83 -31.5 71.38 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.011 -0.54 . . . . 71.52 111.651 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.07 -35.28 74.81 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 73.12 109.931 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 m -75.31 -30.12 60.23 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.451 -1.25 . . . . 41.13 112.248 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.44 -32.35 73.15 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.362 0.665 . . . . 51.21 111.876 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 29' ' ' GLN . 59.9 mt -71.02 -19.27 62.53 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.437 0.695 . . . . 60.53 112.018 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -82.62 -11.39 58.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.752 0.821 . . . . 73.0 111.663 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -84.33 168.02 16.01 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.527 0.68 . . . . 75.4 112.17 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.3 mt -81.04 128.47 33.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.02 -0.991 . . . . 63.33 111.086 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.6 m-20 -42.57 -63.54 0.76 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 114.77 1.396 . . . . 75.24 114.77 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -59.24 -36.99 76.45 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.452 0.301 . . . . 74.24 111.794 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.61 -45.83 81.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.874 0.469 . . . . 62.34 111.113 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 42' ' ' LEU . 81.6 mt -56.58 -45.34 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 123.769 0.828 . . . . 70.44 110.365 175.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.29 -42.96 99.13 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.04 -0.982 . . . . 74.23 111.565 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -74.84 -37.23 62.31 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.154 0.427 . . . . 54.21 112.154 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -62.71 -39.74 95.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.01 0.433 . . . . 55.14 109.984 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 -33.46 73.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.118 0.967 . . . . 63.34 112.977 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -93.54 5.64 50.91 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.947 0.499 . . . . 73.22 112.012 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 65.85 12.79 8.62 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.064 1.346 . . . . 75.31 112.303 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.47 64.72 6.31 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.839 0.828 . . . . 50.11 110.383 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -74.54 -12.24 60.42 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.514 0.726 . . . . 74.11 112.313 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.39 -36.83 79.0 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.978 0.911 . . . . 71.03 112.196 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.7 m -90.81 -50.76 5.72 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.359 0.664 . . . . 71.11 110.411 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 m -111.14 106.19 57.29 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 123.562 0.745 . . . . 73.42 110.978 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.45 147.23 70.69 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.524 2.149 . . . . 71.21 112.225 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -82.66 122.05 78.27 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 122.979 0.511 . . . . 72.13 111.024 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.63 160.91 46.9 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.156 2.571 . . . . 74.22 112.822 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.04 -34.63 78.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.649 0.78 . . . . 74.13 111.732 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 9.02 3.39 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.421 0.897 . . . . 74.13 113.421 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -136.2 4.73 2.97 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 123.912 0.885 . . . . 70.13 111.742 164.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.46 107.06 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.118 0.567 . . . . 72.11 111.49 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 62.4 25.88 15.44 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.631 1.172 . . . . 74.34 112.402 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -66.82 140.66 57.83 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.62 0.368 . . . . 73.2 111.085 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.57 -42.02 95.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.399 1.079 . . . . 72.11 111.523 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.1 -45.05 87.88 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.821 0.849 . . . . 73.45 112.002 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.12 -44.24 97.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.942 0.497 . . . . 73.21 111.282 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.71 -42.33 83.53 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.065 0.546 . . . . 73.42 111.378 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.28 -43.2 98.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.323 0.649 . . . . 74.44 111.735 173.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.85 -39.89 94.28 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.237 1.015 . . . . 64.41 111.878 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.01 -49.03 69.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.875 0.87 . . . . 64.31 111.481 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.35 -25.84 64.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.541 -0.754 . . . . 73.24 111.48 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 105' ' ' LYS . 72.8 t80 -75.0 -36.72 61.95 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.694 0.398 . . . . 75.45 111.836 174.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -54.91 -41.56 71.11 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 122.79 0.436 . . . . 61.43 111.679 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.29 -10.07 59.73 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.186 0.81 . . . . 71.05 113.186 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -116.61 19.05 14.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.656 0.782 . . . . 64.12 113.05 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 10.6 mtmp? -69.63 -53.67 17.63 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.169 0.509 . . . . 74.43 110.367 173.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -119.15 12.9 12.79 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.06 0.944 . . . . 43.42 110.912 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? 60.48 103.77 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 125.549 1.54 . . . . 74.52 111.911 -173.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -144.1 -173.45 4.01 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.318 1.047 . . . . 72.3 109.907 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.495 0.664 . . . . 74.42 109.581 174.141 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 120.302 0.096 . . . . 74.51 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.13 -175.98 21.58 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 114.354 0.502 . . . . 73.4 114.354 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -83.49 92.75 7.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.511 0.724 . . . . 71.34 110.968 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -89.69 106.57 18.55 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.66 0.784 . . . . 73.41 109.853 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.9 160.08 14.53 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.471 0.708 . . . . 75.12 112.349 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -90.37 151.74 21.31 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.776 0.83 . . . . 75.2 111.356 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -140.71 164.07 31.19 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.885 0.874 . . . . 61.22 110.709 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -77.18 162.94 27.01 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.412 0.685 . . . . 70.21 111.202 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -68.67 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.243 0.617 . . . . 72.21 111.076 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -154.25 146.7 24.0 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 123.873 0.869 . . . . 72.15 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 mmt -85.44 115.13 22.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.653 -0.499 . . . . 51.45 109.653 168.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.17 113.2 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.318 0.647 . . . . 73.14 109.61 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -69.67 99.95 1.4 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 122.84 0.456 . . . . 73.11 110.398 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -158.15 131.24 7.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.793 0.837 . . . . 61.35 109.495 175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p -75.82 78.63 2.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.918 0.866 . . . . 71.34 110.791 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.03 131.59 43.1 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.356 -0.838 . . . . 61.1 110.479 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 63.35 91.68 0.07 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.999 1.32 . . . . 72.23 110.628 -170.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.562 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 72.7 Cg_exo -50.85 144.36 27.25 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.805 2.337 . . . . 72.35 112.908 170.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -24.31 64.76 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.274 0.63 . . . . 64.4 110.393 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.66 -37.15 75.36 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.503 0.721 . . . . 75.13 111.806 166.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 60.5 mttm -72.91 -35.84 67.16 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 122.956 0.502 . . . . 74.21 111.845 174.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 54.7 tptt -56.65 -49.42 75.07 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.453 0.701 . . . . 72.55 110.127 169.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.34 -45.54 92.75 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.992 1.317 . . . . 72.53 111.408 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.45 91.01 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.013 0.525 . . . . 73.13 111.774 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -58.74 -42.48 88.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.686 0.795 . . . . 75.53 111.489 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.9 mt -66.17 -51.53 56.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.886 -0.597 . . . . 72.42 111.678 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.4 mt -56.46 -33.99 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 123.221 0.609 . . . . 63.25 110.871 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.14 -49.95 70.14 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 124.29 1.036 . . . . 74.05 111.568 174.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.0 mt-30 -69.19 -19.53 63.99 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.395 0.678 . . . . 73.34 111.944 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 m -76.48 -38.89 54.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.117 0.967 . . . . 52.23 110.761 172.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.29 -9.79 59.39 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.031 0.933 . . . . 62.53 112.214 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 5.1 mptp? -108.7 110.68 22.16 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.027 -0.731 . . . . 75.01 109.027 169.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.98 148.28 27.54 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.49 0.716 . . . . 70.32 110.675 -178.443 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.54 -16.26 80.47 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-N 116.565 -0.289 . . . . 72.55 113.596 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.14 130.36 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.674 0.79 . . . . 72.53 109.917 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.9 -38.11 87.87 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.318 0.647 . . . . 34.44 112.094 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -60.71 -48.41 81.91 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.817 0.447 . . . . 71.22 111.356 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -69.24 -32.06 71.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 73.01 111.747 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.03 -56.3 18.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.657 0.783 . . . . 75.34 110.736 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.43 -29.81 69.39 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.477 0.711 . . . . 72.2 111.571 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.1 -59.47 5.29 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.831 0.852 . . . . 50.41 111.276 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.85 -37.49 73.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.916 0.487 . . . . 64.04 112.04 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.2 m -63.64 -45.16 91.49 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.27 0.628 . . . . 72.12 111.824 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.18 98.47 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 116.386 -0.37 . . . . 71.13 112.584 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.57 -35.66 81.24 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.141 0.977 . . . . 64.03 110.813 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.84 -45.6 57.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.287 0.635 . . . . 60.32 112.374 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.16 65.55 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.931 -0.577 . . . . 64.04 112.132 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -91.75 -55.07 3.61 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.043 0.937 . . . . 75.24 113.235 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -81.17 -38.04 27.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.374 0.879 . . . . 72.21 113.374 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -60.21 -21.84 62.26 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.939 0.718 . . . . 65.1 112.939 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.5 mmpt? -54.25 -43.41 70.92 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 70.2 112.947 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -114.3 -7.56 12.93 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.798 0.666 . . . . 54.34 112.798 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.429 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 37.8 mtm -73.73 137.05 43.77 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.57 0.7 . . . . 75.25 112.382 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.2 173.22 11.63 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 114.63 -1.168 . . . . 72.14 111.878 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -50.81 -43.88 58.93 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.985 1.314 . . . . 72.53 111.923 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.9 -36.77 78.44 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.167 -0.924 . . . . 75.41 111.774 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 29.5 mm-40 -66.8 -48.75 68.02 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.557 0.694 . . . . 43.22 110.507 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' A' ' 50' ' ' LEU . 8.8 mt -56.37 -41.41 76.15 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.38 1.252 . . . . 55.32 114.38 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.09 -28.16 57.45 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 122.103 -0.373 . . . . 72.32 111.903 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -67.47 -38.26 84.13 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.304 0.573 . . . . 73.02 109.475 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.73 -34.25 76.48 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.591 0.757 . . . . 71.24 111.925 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 -48.09 81.7 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.407 0.683 . . . . 74.41 109.703 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 m -57.62 -36.69 72.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.83 0.852 . . . . 54.43 112.345 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 98' ' ' LEU . 39.3 tp -67.25 -35.66 80.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.355 0.662 . . . . 74.13 111.404 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 29' ' ' GLN . 65.3 mt -74.62 -16.35 60.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.431 0.692 . . . . 71.33 112.141 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -90.4 1.97 56.08 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.086 0.554 . . . . 73.3 111.758 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -86.77 171.14 11.13 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.552 0.691 . . . . 72.13 112.245 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.98 121.63 20.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.082 -0.963 . . . . 74.15 110.531 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -47.05 -57.56 4.92 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 114.575 1.324 . . . . 74.52 114.575 -174.661 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -45.3 74.32 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.015 0.825 . . . . 74.43 112.303 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.13 -41.21 92.17 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.432 0.693 . . . . 73.01 111.451 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.84 -43.66 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 123.831 0.852 . . . . 74.31 111.524 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -68.1 -38.54 82.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.007 0.523 . . . . 65.13 111.502 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -72.54 -27.84 62.48 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.948 0.499 . . . . 65.45 112.012 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HA ' ' CE1' ' A' ' 80' ' ' PHE . 36.7 m0 -79.06 -36.2 41.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.138 0.575 . . . . 74.53 110.971 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -63.29 -34.86 78.6 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.673 0.789 . . . . 50.34 111.641 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.3 -172.6 2.46 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.38 -0.827 . . . . 74.42 109.843 172.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -103.78 34.14 3.12 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.666 0.746 . . . . 73.41 110.661 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.43 48.59 1.23 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.225 1.01 . . . . 70.02 110.834 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 93.5 m-85 -76.59 16.4 0.5 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.784 0.834 . . . . 73.22 113.003 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -74.98 -65.2 0.9 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.66 0.784 . . . . 74.02 110.944 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 t -76.61 -33.23 58.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.18 0.592 . . . . 74.31 112.323 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 m -125.91 91.37 48.4 Favored Pre-proline 0 N--CA 1.487 1.403 0 C-N-CA 123.119 0.568 . . . . 65.52 109.92 172.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -71.49 161.75 44.46 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.396 2.064 . . . . 73.34 112.684 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 86' ' ' PRO . 23.2 tp -81.39 123.89 80.85 Favored Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 115.866 -0.606 . . . . 64.11 111.47 -173.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' A' ' 85' ' ' LEU . 84.3 Cg_endo -80.71 163.17 21.26 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.962 2.441 . . . . 75.1 111.999 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.84 -31.15 71.38 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.93 0.892 . . . . 70.11 112.549 -175.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -65.47 -24.91 67.28 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.952 0.901 . . . . 73.32 113.006 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -117.37 4.14 12.54 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.042 0.537 . . . . 74.21 112.161 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.64 101.89 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.762 0.425 . . . . 73.32 110.836 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 66.13 32.66 8.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.862 1.265 . . . . 62.12 111.98 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 t -61.1 135.75 57.86 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.907 -0.588 . . . . 75.0 111.044 172.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.16 -49.03 79.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.952 0.901 . . . . 73.32 110.618 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.16 -48.95 67.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.059 0.943 . . . . 70.15 112.202 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.53 -42.99 84.01 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.708 -0.678 . . . . 75.34 111.698 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.59 -37.38 85.98 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.759 0.423 . . . . 73.5 111.696 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -64.71 -37.15 86.6 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.143 0.577 . . . . 73.22 111.723 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.409 HD22 HD21 ' A' ' 64' ' ' LEU . 42.1 tp -71.74 -36.14 70.35 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.057 0.943 . . . . 72.44 111.651 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 97.7 mt-30 -69.0 -41.69 77.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.041 0.936 . . . . 63.41 111.497 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.18 -38.06 89.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 53.45 110.859 172.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -64.92 -44.22 90.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.044 0.538 . . . . 73.3 111.6 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.3 m -52.82 -42.58 65.26 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.179 0.592 . . . . 72.51 111.974 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.55 -51.01 70.35 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.568 0.747 . . . . 72.02 111.191 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 85.0 m-20 -98.16 14.83 26.3 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.966 0.906 . . . . 71.5 112.986 -170.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -57.65 -46.51 84.11 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.219 1.008 . . . . 71.12 111.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -113.8 -2.48 13.66 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.276 1.031 . . . . 75.14 111.045 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.56 2.65 12.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.63 0.772 . . . . 63.22 112.271 -165.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 104' ' ' ASN . 35.3 tt0 -70.47 129.51 39.45 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.521 0.728 . . . . 64.41 111.349 -176.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.426 HG13 ' HG2' ' A' ' 108' ' ' GLU . 2.7 pp . . . . . 0 N--CA 1.494 1.741 0 C-N-CA 126.076 1.75 . . . . 74.24 114.822 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.74 0.305 . . . . 65.1 111.548 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.58 14.64 0.3 Allowed Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.876 -0.602 . . . . 75.31 113.806 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -75.55 99.41 4.25 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 121.341 0.591 . . . . 73.52 110.474 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.58 27.56 6.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.304 0.641 . . . . 73.3 111.503 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -62.98 96.85 0.1 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.192 0.597 . . . . 75.05 110.696 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -139.76 150.64 45.03 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.782 0.833 . . . . 71.32 111.13 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -132.92 -37.39 1.01 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.304 1.042 . . . . 62.24 109.864 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 60.87 19.01 9.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.418 1.087 . . . . 50.01 111.707 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -76.93 87.3 3.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.293 0.637 . . . . 74.53 110.702 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -70.75 112.71 7.17 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.517 -0.765 . . . . 74.51 110.375 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.9 ttp -55.8 104.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.763 0.825 . . . . 63.34 111.363 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt 63.22 128.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 125.394 1.478 . . . . 71.34 111.307 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.77 53.27 2.65 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 122.034 0.921 . . . . 72.31 109.87 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -67.76 -37.06 81.6 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.95 1.7 . . . . 64.43 111.927 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -70.2 81.12 0.52 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.045 0.938 . . . . 61.43 112.546 -175.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -99.78 -18.11 17.37 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.468 1.107 . . . . 73.11 109.615 171.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.9 148.79 87.27 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.862 0.865 . . . . 63.35 111.906 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' HD2' ' HD3' ' A' ' 21' ' ' LYS . 70.9 Cg_exo -54.31 151.76 28.13 Favored 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 122.869 2.379 . . . . 64.04 113.809 167.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -31.6 72.6 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.759 0.823 . . . . 54.13 110.507 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.45 -40.76 79.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.797 0.839 . . . . 73.52 111.995 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HD3' ' HD2' ' A' ' 18' ' ' PRO . 39.9 mtpt -61.94 -43.23 99.28 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.367 0.506 . . . . 70.31 112.367 177.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttpt -60.87 -46.27 91.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.29 0.236 . . . . 51.35 111.142 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -49.65 -48.64 49.2 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.825 0.85 . . . . 75.42 111.516 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.62 95.75 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.911 -0.586 . . . . 51.2 112.278 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.89 -33.6 74.5 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.931 0.892 . . . . 74.12 112.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 92.7 mt -71.19 -49.39 44.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.965 0.506 . . . . 42.3 111.338 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.695 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.7 mt -60.85 -31.96 50.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 CA-C-N 115.307 -0.861 . . . . 73.34 110.73 174.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -61.52 -46.7 88.86 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.831 0.853 . . . . 74.32 111.534 171.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 48.2 mt-30 -69.37 -22.62 63.71 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 112.681 0.623 . . . . 74.31 112.681 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.0 p -75.88 -12.91 60.24 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.242 0.217 . . . . 54.33 111.186 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.71 -16.8 37.83 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.627 0.771 . . . . 62.1 112.342 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -106.88 111.94 24.68 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.917 -0.771 . . . . 72.23 108.917 172.405 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.602 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.39 154.64 37.04 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.491 1.117 . . . . 74.13 109.169 -177.389 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.44 73.29 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 113.736 0.254 . . . . 71.13 113.736 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.608 HD12 ' HB2' ' A' ' 37' ' ' GLU . 20.5 pt -137.61 154.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.838 0.855 . . . . 70.11 112.051 -175.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 32.5 tp -72.76 -24.93 61.02 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.438 0.695 . . . . 53.51 111.69 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.608 ' HB2' HD12 ' A' ' 35' ' ' ILE . 28.4 mm-40 -55.22 -54.61 41.17 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.177 0.591 . . . . 74.51 111.803 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -75.27 -30.6 60.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.417 0.687 . . . . 72.45 112.103 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 20.2 t70 -60.22 -49.87 75.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.058 0.543 . . . . 65.31 111.503 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.32 -36.51 80.35 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.705 0.802 . . . . 74.43 111.448 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -64.16 -55.52 21.23 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 115.202 -0.908 . . . . 55.45 111.628 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 72' ' ' ILE . 67.8 mt -74.98 -36.75 62.02 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.183 0.808 . . . . 65.12 113.183 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 m -68.09 -40.38 82.67 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.774 0.43 . . . . 70.31 111.425 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.08 88.63 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 116.408 -0.36 . . . . 65.01 112.557 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.76 -33.69 74.52 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.112 0.965 . . . . 74.43 110.585 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.757 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.81 -41.58 64.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.457 0.703 . . . . 61.04 111.884 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.45 58.73 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.689 -0.687 . . . . 44.44 112.555 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.26 -57.73 2.42 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.711 0.634 . . . . 43.32 112.711 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -82.76 -40.64 20.21 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.369 1.248 . . . . 75.42 114.369 -167.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.7 mp -57.29 -22.18 39.94 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 113.574 0.953 . . . . 60.22 113.574 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.61 -40.89 98.38 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.979 0.912 . . . . 63.4 111.106 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -105.11 -10.4 17.17 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 124.137 0.975 . . . . 72.11 112.748 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.649 ' SD ' HD23 ' A' ' 58' ' ' LEU . 51.0 ttm -74.73 143.08 44.28 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.336 1.054 . . . . 74.33 112.648 -172.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.91 158.61 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.41 0.684 . . . . 74.11 112.333 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.75 -49.69 57.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.064 1.346 . . . . 53.13 112.572 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.94 -41.71 99.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.851 -1.068 . . . . 61.24 112.384 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.481 0.712 . . . . 72.22 111.628 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.649 HD23 ' SD ' ' A' ' 53' ' ' MET . 82.1 mt -62.15 -37.55 85.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.488 0.715 . . . . 74.24 111.346 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.26 -27.98 61.0 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.843 0.457 . . . . 64.0 111.787 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.88 -39.47 83.69 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 116.28 -0.418 . . . . 51.24 110.216 171.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.41 -35.25 79.83 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.345 0.658 . . . . 74.54 110.84 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 65' ' ' LEU . 15.2 t70 -59.45 -43.06 93.24 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.076 0.551 . . . . 71.02 109.999 173.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -59.86 -38.74 83.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.473 0.709 . . . . 64.12 111.599 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.01 -33.36 75.64 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.501 0.72 . . . . 61.21 111.063 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 41.8 mt -73.8 -21.11 60.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.826 0.85 . . . . 60.1 111.697 174.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.21 -1.02 57.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.314 0.646 . . . . 73.34 111.819 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.14 158.94 17.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.121 0.569 . . . . 72.11 111.358 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.39 133.61 42.46 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.553 0.741 . . . . 72.24 110.224 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.602 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.4 p30 -46.25 -52.56 12.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.408 1.262 . . . . 60.52 114.408 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -52.05 -46.84 65.23 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.242 0.46 . . . . 72.52 112.242 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 9.4 m-20 -56.78 -54.92 40.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.17 0.588 . . . . 73.43 111.214 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 42' ' ' LEU . 60.7 mt -51.44 -44.63 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 124.458 1.103 . . . . 60.2 112.065 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.16 -44.07 66.26 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.56 -0.746 . . . . 71.21 111.602 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -75.7 -20.62 58.25 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.949 0.722 . . . . 73.3 112.949 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 44.1 m0 -71.84 -46.79 56.84 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.021 0.439 . . . . 73.31 110.147 170.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.72 -49.59 75.84 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.018 -0.992 . . . . 54.02 111.674 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.7 p -76.09 1.95 14.21 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.617 0.767 . . . . 75.44 112.56 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 64.99 25.69 12.69 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.671 1.188 . . . . 74.04 112.298 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.51 -72.75 0.14 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.028 0.931 . . . . 74.31 110.525 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 63.88 1.55 1.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.8 1.24 . . . . 73.12 113.938 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -79.17 -59.09 2.91 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.909 0.883 . . . . 74.2 110.65 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 t -87.38 -33.14 19.23 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 115.323 -0.853 . . . . 70.3 111.826 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.6 m -122.5 93.31 48.56 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.438 0.695 . . . . 62.22 110.237 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.23 162.47 41.68 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.19 2.593 . . . . 53.25 113.22 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 tp -92.32 123.31 62.72 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.017 0.527 . . . . 74.2 111.976 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 6.8 Cg_exo -75.65 159.4 39.04 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.896 2.397 . . . . 72.23 112.839 170.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -28.24 69.57 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.266 1.026 . . . . 71.41 112.723 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.8 ptmt -56.7 -41.31 77.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.073 0.949 . . . . 73.2 112.438 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -96.34 -18.3 20.06 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.395 0.517 . . . . 75.31 112.395 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.7 59.71 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.832 0.853 . . . . 74.34 113.137 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -111.71 5.75 19.4 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.932 0.893 . . . . 71.15 112.473 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.3 t -81.77 129.13 34.63 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.452 0.701 . . . . 73.55 111.34 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 47.1 mtpt -69.67 -37.54 76.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.775 0.43 . . . . 60.01 111.191 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 tp -49.83 -45.77 50.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.078 0.951 . . . . 72.4 111.53 177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 75' ' ' TRP . 21.6 tp -59.59 -46.17 89.73 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.807 -1.088 . . . . 71.42 111.767 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.0 -29.0 65.97 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.64 0.776 . . . . 63.31 111.889 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 15.8 mm-40 -72.5 -34.62 67.76 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.561 0.744 . . . . 52.11 110.679 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.97 -36.97 78.49 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.109 0.964 . . . . 75.35 111.189 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.65 -35.08 79.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.735 0.814 . . . . 74.2 111.699 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -62.38 -55.74 25.04 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.847 -0.615 . . . . 55.02 109.757 168.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.18 -35.97 74.51 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.912 0.708 . . . . 74.44 112.912 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 85.1 p -55.93 -37.94 69.63 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.229 0.612 . . . . 70.33 112.562 175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.67 -36.51 28.7 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.289 0.636 . . . . 72.54 110.991 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -94.46 25.82 3.72 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.517 0.727 . . . . 72.3 112.387 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -57.79 -46.94 83.9 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.782 0.833 . . . . 72.44 110.877 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.47 23.33 12.03 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.961 0.904 . . . . 72.13 112.1 -176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -110.8 82.51 1.6 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 106.893 -1.521 . . . . 73.45 106.893 171.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -106.74 149.27 27.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.886 0.875 . . . . 74.13 111.577 -167.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.479 1.008 0 C-N-CA 123.845 0.858 . . . . 73.24 110.32 -176.152 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 110.741 -0.096 . . . . 61.22 110.741 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.76 -42.54 3.16 Favored Glycine 0 N--CA 1.481 1.686 0 N-CA-C 114.883 0.713 . . . . 60.34 114.883 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -65.73 108.55 2.14 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.394 0.677 . . . . 65.2 111.08 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -120.37 168.89 10.82 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.116 0.566 . . . . 75.2 111.799 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -98.2 166.5 11.38 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.888 0.875 . . . . 72.14 111.4 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -71.4 145.92 49.04 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.566 0.747 . . . . 72.34 111.989 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -133.06 -55.75 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.193 0.597 . . . . 70.31 111.8 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -74.34 102.51 4.41 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.568 0.699 . . . . 72.22 112.268 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -87.86 86.66 7.18 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.339 0.59 . . . . 73.44 111.522 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -135.16 149.87 50.05 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.373 0.669 . . . . 64.32 111.165 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.4 mmt -88.25 111.8 22.07 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.784 0.833 . . . . 75.44 111.522 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.3 mt -97.52 105.58 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.003 0.521 . . . . 75.24 109.772 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -83.07 104.2 13.09 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.039 0.536 . . . . 72.54 110.853 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -141.42 138.51 32.99 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.031 0.933 . . . . 63.44 110.691 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -75.42 123.52 25.55 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.182 0.593 . . . . 75.12 110.373 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -82.39 71.39 9.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.292 0.568 . . . . 75.22 110.914 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -145.83 77.44 12.23 Favored Pre-proline 0 CA--C 1.558 1.251 0 C-N-CA 123.539 0.735 . . . . 73.33 111.163 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.51 167.19 17.52 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.17 1.913 . . . . 75.14 111.964 158.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 55' ' ' GLU . 4.0 mm? -66.26 -27.07 67.66 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.941 0.496 . . . . 63.22 111.385 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.51 -44.13 76.34 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.814 -0.63 . . . . 54.54 111.096 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -75.5 -47.35 27.42 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 122.937 0.495 . . . . 72.14 112.264 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -69.18 -47.42 64.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.624 0.602 . . . . 72.05 112.624 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -54.61 -51.13 66.32 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 117.814 0.279 . . . . 73.03 111.575 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.66 78.69 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.96 0.504 . . . . 64.23 111.966 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -65.08 -41.35 95.12 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.651 0.781 . . . . 70.2 111.911 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.96 -40.39 72.0 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.788 0.435 . . . . 75.02 111.976 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.537 HG12 ' HB1' ' A' ' 46' ' ' ALA . 65.2 mt -59.63 -32.83 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.703 0.763 . . . . 65.41 110.927 173.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.98 -41.84 58.74 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.159 1.384 . . . . 64.41 112.475 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -76.56 -19.13 58.22 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 123.503 0.721 . . . . 40.53 111.847 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.675 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 92.4 p -81.77 -37.66 26.83 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.609 0.719 . . . . 35.5 110.634 173.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.27 -16.67 58.88 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.006 -1.452 . . . . 74.13 110.704 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -83.54 113.49 20.84 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.142 -1.059 . . . . 70.14 108.142 161.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -152.08 171.02 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.792 0.437 . . . . 63.43 110.397 -166.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.49 -83.16 0.55 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 121.546 -0.359 . . . . 73.23 112.493 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 38' ' ' THR . 44.3 pt -78.08 155.63 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 N-CA-C 112.434 0.531 . . . . 74.41 112.434 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.34 -24.22 60.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.109 0.964 . . . . 72.0 112.345 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' ILE . 6.0 mm-40 -62.36 -51.95 65.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.999 0.519 . . . . 73.34 111.981 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' H ' HG13 ' A' ' 35' ' ' ILE . 7.4 m -74.69 -29.2 61.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.881 0.472 . . . . 40.12 111.681 176.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.46 -59.79 4.22 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.762 0.825 . . . . 73.54 111.208 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.55 -34.21 77.72 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.669 0.788 . . . . 53.24 111.648 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.05 -57.96 10.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.768 0.827 . . . . 75.02 111.108 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 62.3 mt -74.33 -28.7 61.27 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.971 0.73 . . . . 64.15 112.971 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -64.78 -52.21 58.1 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 122.825 0.45 . . . . 74.31 111.376 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.71 -38.99 95.05 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 115.971 -0.559 . . . . 71.14 112.97 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.21 -41.87 89.63 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.016 0.927 . . . . 73.34 111.003 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -68.7 -47.81 65.45 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.271 -0.877 . . . . 72.14 112.406 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.91 68.7 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.196 0.598 . . . . 70.12 112.204 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -90.16 -55.24 3.69 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.652 0.781 . . . . 73.21 112.312 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.38 -45.79 21.55 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.563 0.745 . . . . 74.11 112.875 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -59.7 -25.71 65.01 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 113.042 0.756 . . . . 73.43 113.042 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -55.68 -32.09 62.96 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.284 1.034 . . . . 64.31 112.053 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -119.9 -9.11 9.73 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.0 0.92 . . . . 73.33 112.346 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.535 ' SD ' HD23 ' A' ' 58' ' ' LEU . 52.9 ttm -71.08 137.05 48.59 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.005 0.922 . . . . 50.31 112.318 -174.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.0 m120 -73.78 159.43 32.93 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.863 0.865 . . . . 74.41 112.756 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.618 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.0 mp0 -50.16 -41.8 49.82 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.689 1.596 . . . . 73.25 112.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.67 -48.75 71.05 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 114.965 -1.016 . . . . 74.22 111.033 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.3 -31.34 70.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.721 -1.127 . . . . 61.25 111.897 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 ' SD ' ' A' ' 53' ' ' MET . 96.4 mt -59.55 -36.0 75.31 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.864 0.866 . . . . 74.14 112.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.46 -29.76 62.74 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.616 0.767 . . . . 52.23 111.275 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -69.72 -40.0 76.52 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.324 0.65 . . . . 60.12 110.208 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.458 ' HD1' HD11 ' A' ' 94' ' ' LEU . 47.0 t80 -61.46 -40.83 95.92 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.459 0.704 . . . . 74.12 111.889 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.47 -40.86 72.17 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.63 0.772 . . . . 64.04 111.525 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.7 m -58.17 -38.85 77.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.315 1.046 . . . . 51.32 112.398 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.41 -30.41 69.31 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.639 0.776 . . . . 74.11 111.855 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 14.2 mt -75.01 -15.38 60.66 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.198 0.599 . . . . 70.13 112.093 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.45 4.82 52.91 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.639 0.776 . . . . 71.35 111.676 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.81 166.66 13.41 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.756 0.822 . . . . 70.35 111.445 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.77 134.77 37.0 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.594 0.358 . . . . 51.13 110.89 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 3.3 p-10 -50.11 -54.14 22.6 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.656 1.182 . . . . 72.03 113.885 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -56.64 -39.14 73.16 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.608 0.595 . . . . 75.12 112.608 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -66.73 -52.03 49.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.931 0.493 . . . . 64.22 110.944 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 42' ' ' LEU . 66.3 mt -51.8 -41.93 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 124.286 1.035 . . . . 75.33 110.897 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.16 -47.73 81.44 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.991 -1.004 . . . . 75.25 111.734 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 83' ' ' SER . 21.8 m-85 -76.87 -12.35 59.95 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.213 0.82 . . . . 74.43 113.213 -176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.481 ' HB3' HD11 ' A' ' 95' ' ' LEU . 28.6 m0 -88.1 -34.66 17.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.652 0.381 . . . . 74.0 110.886 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -53.54 19.51 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.15 0.58 . . . . 41.02 110.962 173.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 p -79.89 170.97 15.74 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.254 -0.885 . . . . 52.52 109.623 170.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -96.14 39.68 1.14 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 75.43 112.186 -169.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -110.68 51.22 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 54.31 110.821 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -67.45 -13.26 61.88 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.89 0.876 . . . . 62.34 112.369 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -32.71 65.2 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.349 1.06 . . . . 74.14 112.912 173.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -92.44 -56.58 2.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.921 0.391 . . . . 43.43 110.243 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 57.9 m -105.58 100.92 29.26 Favored Pre-proline 0 N--CA 1.483 1.224 0 C-N-CA 123.163 0.585 . . . . 53.44 110.726 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.67 144.23 71.21 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.371 2.047 . . . . 51.22 111.664 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.3 tp -78.49 118.65 73.6 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 122.595 0.358 . . . . 64.23 110.647 -176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.623 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.5 Cg_exo -75.97 166.83 27.29 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.201 2.6 . . . . 63.13 112.94 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.61 -36.99 72.52 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.146 0.979 . . . . 74.04 112.249 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.623 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.2 ptmt -62.06 -25.36 67.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.013 0.925 . . . . 62.3 113.374 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -112.82 -9.75 13.64 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.448 0.536 . . . . 61.12 112.448 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.59 72.32 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 112.851 0.685 . . . . 71.21 112.851 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -114.27 7.33 16.44 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.29 0.636 . . . . 73.53 112.006 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -84.05 130.35 34.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.289 0.566 . . . . 55.12 112.491 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -65.56 -38.69 90.28 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.097 0.959 . . . . 74.12 111.223 174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.458 HD11 ' HD1' ' A' ' 61' ' ' TYR . 52.5 tp -51.98 -41.17 61.94 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.352 1.061 . . . . 75.22 113.149 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 75' ' ' TRP . 52.2 tp -61.11 -43.28 99.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.302 0.641 . . . . 74.43 111.487 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -68.16 -34.02 75.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.803 0.841 . . . . 73.51 110.737 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.03 -40.94 99.22 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.953 0.901 . . . . 63.13 111.091 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.53 -33.05 64.54 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.546 0.738 . . . . 72.32 111.698 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -72.25 -42.15 65.97 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.387 0.675 . . . . 73.11 112.579 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.21 -32.49 72.75 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 117.844 0.293 . . . . 61.33 110.571 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -65.95 -46.64 77.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.248 0.619 . . . . 73.25 110.908 172.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -56.39 -23.84 40.73 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.41 0.684 . . . . 55.1 111.603 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -79.45 -69.81 0.55 Allowed 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 115.798 -0.637 . . . . 74.35 110.776 167.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -88.37 21.79 2.75 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.25 1.02 . . . . 71.55 113.73 -166.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -62.61 -39.21 93.04 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.346 0.869 . . . . 75.03 113.346 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 107' ' ' LYS . 6.3 mm-40 -127.41 -81.11 0.6 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.513 0.725 . . . . 75.35 110.052 -177.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' HD2' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -162.92 36.66 0.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.071 0.949 . . . . 75.42 110.726 -179.231 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.37 -168.52 2.48 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.728 -0.669 . . . . 74.53 112.045 -167.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.94 0.876 . . . . 71.41 111.205 173.849 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.674 0.273 . . . . 74.52 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.25 -26.1 31.81 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.003 0.761 . . . . 72.24 115.003 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -79.56 80.52 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.076 0.938 . . . . 74.04 111.264 -175.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -92.93 -41.01 10.26 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.222 0.609 . . . . 65.44 110.79 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -151.03 50.41 0.85 Allowed 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.666 0.746 . . . . 61.34 110.772 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -136.47 122.68 20.46 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.685 0.794 . . . . 65.0 110.854 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -130.76 -174.23 3.31 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 73.33 109.409 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -66.41 157.71 31.22 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 122.388 0.275 . . . . 70.44 111.11 173.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -61.58 139.49 58.26 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.965 0.506 . . . . 74.25 110.836 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.0 m80 65.13 95.93 0.05 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 125.202 1.401 . . . . 73.2 111.038 -169.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ttt -67.58 147.5 52.67 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.512 0.725 . . . . 74.01 111.253 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.01 95.55 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 122.987 0.515 . . . . 61.22 110.935 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -118.86 122.67 42.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.947 0.899 . . . . 70.23 109.6 174.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -74.86 -37.82 62.12 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.768 0.827 . . . . 74.12 112.114 -172.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -121.92 174.48 6.86 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 74.35 111.041 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -72.66 -11.35 60.6 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.027 0.931 . . . . 75.11 111.726 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.14 113.11 8.32 Favored Pre-proline 0 N--CA 1.485 1.309 0 C-N-CA 124.694 1.198 . . . . 61.13 112.644 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -73.61 163.69 36.79 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.577 2.185 . . . . 61.02 112.14 168.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -26.95 69.08 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.575 0.75 . . . . 61.54 111.354 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.68 -40.06 95.92 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.54 0.736 . . . . 61.33 112.489 171.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -71.15 -38.48 72.22 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.146 0.425 . . . . 64.43 112.146 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.97 -54.06 49.6 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.74 0.305 . . . . 71.13 110.873 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 25.9 ttp180 -55.72 -50.22 70.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.904 0.882 . . . . 72.33 111.874 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.98 95.75 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.034 0.533 . . . . 62.51 111.729 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.02 -45.33 94.08 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.924 0.89 . . . . 75.44 112.139 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 50' ' ' LEU . 86.5 mt -70.91 -42.59 69.72 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 122.677 0.391 . . . . 64.23 111.774 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.562 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.0 mt -61.23 -34.5 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 C-N-CA 123.097 0.559 . . . . 73.32 111.001 171.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 88.6 t80 -64.87 -46.81 80.27 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.274 0.63 . . . . 53.12 110.937 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HB2' HD13 ' A' ' 65' ' ' LEU . 55.8 mt-30 -78.81 -10.35 59.76 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.814 0.672 . . . . 64.22 112.814 -177.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.436 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 89.2 p -85.87 -28.53 24.33 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.232 0.539 . . . . 71.42 109.96 166.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -80.93 -13.04 59.26 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 73.4 110.942 173.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -103.45 115.11 29.92 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 107.654 -1.239 . . . . 74.33 107.654 166.338 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.58 151.4 31.5 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 122.14 -0.35 . . . . 63.04 111.481 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -44.42 97.33 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 123.408 0.442 . . . . 54.03 113.877 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 pt -118.34 151.75 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 74.24 111.394 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.05 -27.6 63.77 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 124.181 0.992 . . . . 74.34 111.825 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 -52.32 64.12 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.062 0.545 . . . . 71.45 111.849 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 73' ' ' TYR . 16.8 m -73.11 -28.01 62.02 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.232 0.613 . . . . 74.14 111.447 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.41 -58.91 5.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.156 0.983 . . . . 73.31 111.322 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.1 -33.34 75.27 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.233 0.613 . . . . 61.52 111.943 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.39 -55.43 34.91 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.933 0.893 . . . . 74.02 111.592 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 76.3 mt -74.23 -35.19 63.86 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.427 -0.806 . . . . 75.01 112.443 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -68.7 -41.98 78.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.218 0.451 . . . . 65.32 112.218 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.34 93.95 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 112.124 -0.39 . . . . 14.04 112.124 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -59.29 -41.11 88.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.105 0.962 . . . . 73.53 111.021 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.49 -44.5 67.56 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.623 0.769 . . . . 74.54 112.687 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.55 69.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.258 0.623 . . . . 74.31 112.412 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -90.38 -55.07 3.74 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.785 0.834 . . . . 72.22 112.574 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -78.77 -40.73 32.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.17 0.804 . . . . 75.24 113.17 -170.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.8 mp -62.58 -24.49 67.58 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 112.486 0.551 . . . . 64.11 112.486 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.89 -35.84 73.69 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.656 0.783 . . . . 75.41 111.76 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -116.62 -11.45 11.04 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.729 1.011 . . . . 65.52 113.729 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.1 mtm -77.89 140.59 39.33 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.533 0.606 . . . . 73.33 111.828 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.66 160.91 31.47 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.175 0.99 . . . . 71.44 109.09 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 39.0 tt0 -50.55 -42.05 54.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.049 0.94 . . . . 71.4 112.17 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.34 -42.44 73.85 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.241 1.016 . . . . 75.54 113.084 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -74.91 -34.45 62.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.561 0.744 . . . . 71.41 110.871 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -63.45 -31.09 72.15 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.61 -0.723 . . . . 44.14 112.509 170.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -67.66 -37.96 83.11 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.85 0.46 . . . . 50.14 110.541 174.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HG3' HD22 ' A' ' 94' ' ' LEU . 5.5 tp10 -66.0 -37.1 85.07 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.357 -0.838 . . . . 64.4 111.049 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.22 -32.59 74.34 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.479 0.312 . . . . 72.14 111.771 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.87 -38.39 82.06 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.238 0.615 . . . . 51.3 110.771 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -59.89 -37.81 80.44 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.815 0.846 . . . . 61.43 111.696 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.84 -34.91 77.64 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.525 0.73 . . . . 72.13 111.17 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' GLN . 77.1 mt -73.3 -21.74 60.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.293 0.637 . . . . 72.34 111.625 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.55 -7.41 58.47 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.554 0.742 . . . . 64.15 112.025 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -88.96 177.28 6.71 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.431 0.692 . . . . 72.2 110.895 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 mt -92.59 137.87 31.99 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.493 0.717 . . . . 65.44 111.122 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -48.25 -55.05 11.53 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.998 1.11 . . . . 34.14 113.998 -176.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.68 -43.57 93.95 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 112.345 0.498 . . . . 54.24 112.345 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.131 0.572 . . . . 71.22 111.445 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.1 -43.06 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 124.205 1.002 . . . . 61.11 111.219 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 74.8 t80 -59.89 -45.81 91.32 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.224 1.01 . . . . 74.43 111.394 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.2 -23.15 51.48 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.84 0.681 . . . . 75.51 112.84 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.528 ' HB3' HD11 ' A' ' 95' ' ' LEU . 35.0 m0 -77.33 -40.4 44.32 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.878 0.371 . . . . 75.54 110.841 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.51 65.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.657 0.783 . . . . 51.25 111.644 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.4 p -74.81 -2.31 26.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.477 0.711 . . . . 72.01 112.679 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttm 64.24 30.63 13.46 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.869 1.268 . . . . 60.12 111.943 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.37 -71.73 0.19 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.529 0.732 . . . . 34.42 110.589 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.14 -12.96 0.22 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.983 1.475 . . . . 62.25 114.983 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -59.94 -54.66 43.49 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.786 1.234 . . . . 54.51 111.377 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -82.98 -38.65 22.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.383 -0.826 . . . . 73.24 110.877 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 m -128.79 91.62 42.57 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 114.695 -1.139 . . . . 51.54 110.246 -174.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -62.31 162.56 23.2 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.276 2.651 . . . . 54.34 113.619 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -92.28 125.53 56.05 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 123.495 0.718 . . . . 75.54 112.379 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.41 152.09 79.35 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 123.404 2.736 . . . . 72.12 112.891 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.52 -38.86 88.92 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.77 0.828 . . . . 61.44 112.774 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -70.1 -9.13 54.5 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 112.871 0.693 . . . . 72.01 112.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HB3' HD22 ' A' ' 95' ' ' LEU . 11.7 m95 -100.87 -33.38 10.24 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.079 0.4 . . . . 73.23 112.079 170.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.71 66.47 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.287 0.635 . . . . 73.41 112.585 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.56 18.27 22.15 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.506 0.722 . . . . 72.43 111.915 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.4 t -93.05 133.77 35.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.392 0.677 . . . . 54.02 110.858 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -69.69 -36.88 76.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.648 0.379 . . . . 64.24 110.838 174.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 60' ' ' GLU . 39.8 tp -54.72 -45.11 74.02 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.719 0.808 . . . . 64.22 111.855 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 89' ' ' TRP . 26.3 tp -60.42 -43.92 96.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.847 -0.615 . . . . 72.31 111.261 176.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.41 -33.51 76.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.138 0.575 . . . . 73.41 111.69 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.08 -34.37 68.63 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.552 0.741 . . . . 72.25 110.917 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.05 -34.11 72.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.625 0.77 . . . . 74.45 110.603 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -69.4 -39.99 77.6 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.962 0.905 . . . . 72.5 111.161 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -57.74 -52.4 65.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.443 0.697 . . . . 73.21 111.013 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -64.56 -47.0 80.38 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.97 -0.559 . . . . 73.21 111.754 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -59.73 -38.52 81.94 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.857 0.688 . . . . 74.23 112.857 -173.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.42 -32.29 37.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.328 0.251 . . . . 75.32 111.492 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -100.66 29.9 4.25 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.807 0.843 . . . . 74.24 111.95 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -69.65 87.68 0.5 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.22 0.533 . . . . 62.42 110.258 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.03 28.88 8.16 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.629 0.772 . . . . 71.44 110.805 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 tttp 59.18 19.57 7.58 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 126.015 1.726 . . . . 72.25 114.278 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.89 89.58 2.92 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 121.935 0.874 . . . . 75.02 110.118 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 123.318 0.647 . . . . 71.32 111.308 -177.48 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG3' ' H ' ' A' ' 2' ' ' GLY . 4.7 tpt . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 109.649 -0.5 . . . . 72.13 109.649 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -56.2 -39.81 82.36 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 114.124 0.41 . . . . 74.24 114.124 178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -120.89 145.79 47.28 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.444 0.697 . . . . 60.31 111.071 174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -75.83 118.84 19.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.486 0.715 . . . . 71.21 109.305 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.61 124.95 29.98 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.947 0.499 . . . . 55.21 111.648 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -150.46 123.41 8.74 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.741 0.817 . . . . 64.21 110.831 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -90.01 133.09 35.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.955 0.502 . . . . 64.12 110.733 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -90.77 -49.26 6.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.241 0.617 . . . . 74.21 110.286 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -76.13 143.21 41.36 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.09 0.556 . . . . 74.32 110.696 174.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -160.94 20.42 0.13 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.225 0.61 . . . . 74.0 112.031 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.4 mpt? -74.22 114.09 12.17 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.362 0.665 . . . . 74.13 110.992 -175.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -70.46 134.34 30.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.088 0.955 . . . . 64.41 110.952 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' H ' HG23 ' A' ' 15' ' ' THR . 84.3 tttt -127.62 58.06 1.5 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.922 0.889 . . . . 64.31 108.603 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 48.69 61.67 2.96 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.171 0.989 . . . . 63.34 110.965 -168.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 13' ' ' LYS . 72.9 p -94.39 125.88 39.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.423 -0.808 . . . . 63.14 110.684 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.56 118.88 7.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.876 0.47 . . . . 73.24 111.121 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -105.59 89.03 3.08 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 124.269 1.027 . . . . 75.32 109.089 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.507 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 67.0 Cg_endo -70.02 174.02 10.35 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.479 2.119 . . . . 75.11 113.635 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -27.58 66.43 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.215 -0.902 . . . . 61.31 110.208 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -65.52 -37.83 87.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.237 0.615 . . . . 74.54 111.668 171.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 29.1 mttp -71.79 -29.49 64.52 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 119.059 -0.496 . . . . 74.12 112.126 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.6 -47.07 76.93 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 118.17 0.441 . . . . 52.32 110.039 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 14.1 ttp180 -56.1 -48.57 75.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.918 0.887 . . . . 65.04 111.156 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.341 0.656 . . . . 73.42 112.02 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -66.66 -38.13 86.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.906 0.882 . . . . 64.34 111.911 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 65' ' ' LEU . 95.6 mt -72.72 -37.87 67.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.875 0.47 . . . . 73.12 111.26 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG13 HD22 ' A' ' 50' ' ' LEU . 69.7 mt -63.09 -31.9 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 122.837 0.455 . . . . 74.33 110.772 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -69.98 -46.51 65.05 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.497 0.719 . . . . 74.02 111.528 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 65' ' ' LEU . 28.7 mt-30 -66.49 -31.28 71.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.431 0.692 . . . . 72.11 111.648 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 82.7 p -72.27 -44.64 62.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.329 0.652 . . . . 72.53 111.724 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -78.61 -0.9 31.68 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.505 -0.77 . . . . 71.0 111.994 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -110.66 110.04 20.55 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.421 -0.955 . . . . 75.02 108.421 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -149.65 -157.84 0.86 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.346 1.058 . . . . 75.24 109.991 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.18 2.88 10.6 Favored Glycine 0 N--CA 1.479 1.54 0 N-CA-C 114.193 0.437 . . . . 52.33 114.193 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 pt -146.71 120.66 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.032 0.933 . . . . 74.21 110.058 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.4 tp -55.22 -27.8 48.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.232 0.827 . . . . 50.34 113.232 -171.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.31 -52.1 63.32 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.78 0.432 . . . . 71.01 111.672 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 m -74.21 -31.44 62.63 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.78 0.432 . . . . 74.11 111.799 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.95 -54.79 38.21 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.875 0.47 . . . . 72.45 111.04 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.17 -33.61 70.17 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.17 0.588 . . . . 72.34 112.225 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.1 -58.46 8.54 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 123.461 0.704 . . . . 73.45 111.024 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 85.4 mt -74.31 -28.95 61.4 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.259 0.624 . . . . 74.24 112.601 -177.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 t -64.83 -53.15 51.36 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.394 0.543 . . . . 61.44 111.164 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.95 98.33 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.45 -0.795 . . . . 71.11 112.591 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.95 -44.64 96.33 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.574 0.75 . . . . 75.32 111.183 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.0 -47.23 63.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.777 0.658 . . . . 72.03 112.777 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.1 68.46 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.951 0.501 . . . . 73.43 112.192 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -90.6 -54.86 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.408 1.083 . . . . 71.14 111.541 -177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -81.3 -42.82 20.04 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.237 1.015 . . . . 74.54 113.732 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.712 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.4 mp -59.09 -26.83 65.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.65 1.114 . . . . 75.35 112.1 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.27 -31.08 69.35 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.436 1.094 . . . . 71.13 111.987 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -27.51 16.5 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.714 0.635 . . . . 71.1 112.714 171.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.455 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 66.1 mtm -79.84 144.96 33.03 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.078 0.77 . . . . 65.32 113.078 -170.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 30.3 p30 -90.06 179.7 5.88 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.683 0.793 . . . . 72.12 111.405 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.42 -45.88 46.87 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.495 1.118 . . . . 74.32 112.53 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.12 -37.26 85.29 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.462 1.105 . . . . 62.12 112.05 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 39.3 mt-10 -75.8 -39.26 57.2 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.241 0.617 . . . . 52.43 111.811 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.712 HD22 ' HG ' ' A' ' 50' ' ' LEU . 14.0 mt -59.6 -39.72 85.13 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 113.148 0.796 . . . . 72.53 113.148 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.28 -28.46 59.78 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.112 -0.368 . . . . 71.0 111.477 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -65.09 -38.61 91.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 109.428 -0.582 . . . . 70.1 109.428 169.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.71 -35.19 74.82 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.491 0.716 . . . . 74.25 112.26 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.93 -39.9 82.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.179 0.592 . . . . 74.5 110.437 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -61.86 -36.88 82.54 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.609 -0.723 . . . . 71.05 111.716 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 98' ' ' LEU . 39.6 tp -70.64 -31.55 68.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.276 0.63 . . . . 74.35 111.178 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 86.7 mt -73.23 -25.66 60.82 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.598 0.359 . . . . 61.03 111.495 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -78.26 -4.1 46.17 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.263 0.625 . . . . 62.11 111.61 171.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -87.31 173.27 9.27 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.596 0.712 . . . . 53.31 112.346 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.0 mt -82.91 135.81 34.79 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.645 -1.161 . . . . 65.1 112.315 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.84 -64.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 125.742 1.617 . . . . 74.34 113.858 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -64.61 -39.61 94.02 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 112.854 0.687 . . . . 75.23 112.854 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.25 -43.04 99.74 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.964 0.505 . . . . 73.44 111.303 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.29 -44.83 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 C-N-CA 123.766 0.826 . . . . 60.04 111.411 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -65.07 -40.05 94.14 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.626 -0.715 . . . . 74.1 111.547 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.63 -25.85 59.5 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.525 0.565 . . . . 73.12 112.525 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.7 m0 -80.32 -34.68 36.52 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.576 0.35 . . . . 75.11 110.796 174.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.437 0.695 . . . . 64.22 111.155 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.2 p -90.54 -172.23 3.34 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.139 -0.937 . . . . 75.01 109.838 170.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -102.22 31.75 3.83 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.611 -0.68 . . . . 73.43 111.299 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.43 41.16 1.04 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.077 0.951 . . . . 72.15 111.287 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.49 -17.04 63.57 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.793 0.837 . . . . 63.4 111.844 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.75 -47.41 86.45 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.668 0.787 . . . . 73.53 110.744 167.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.45 -48.47 40.69 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.524 0.73 . . . . 55.24 111.31 -175.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -128.93 116.66 19.13 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 123.365 0.666 . . . . 75.25 110.129 174.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.6 145.55 58.43 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.481 2.121 . . . . 74.04 112.572 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.2 123.31 84.79 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 123.044 0.537 . . . . 72.44 111.717 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.11 149.23 76.51 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.001 2.467 . . . . 63.4 112.384 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.71 -33.32 73.82 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.917 0.887 . . . . 74.04 112.759 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -29.46 65.31 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.769 0.828 . . . . 64.34 112.966 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.93 -24.57 14.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.995 0.518 . . . . 72.53 111.434 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.96 63.6 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.69 0.796 . . . . 42.54 112.631 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.16 7.17 15.28 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.853 0.861 . . . . 65.21 112.549 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 p -90.73 135.13 33.92 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.801 0.441 . . . . 70.32 111.367 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -70.17 -37.03 75.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 122.903 0.481 . . . . 74.13 111.203 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.15 -44.49 67.84 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.966 0.906 . . . . 65.04 112.402 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 75' ' ' TRP . 37.6 tp -55.54 -45.51 77.2 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.759 -0.655 . . . . 73.13 111.512 176.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -67.17 -34.05 76.71 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.867 -0.606 . . . . 75.43 111.114 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.27 -37.42 85.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.74 . . . . 64.23 111.329 173.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 64' ' ' LEU . 45.0 tp -67.5 -39.87 85.16 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.943 0.897 . . . . 74.1 110.699 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.54 -43.37 90.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.231 1.012 . . . . 64.12 111.652 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.48 -49.89 74.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.965 0.506 . . . . 72.22 110.53 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.71 -36.16 80.13 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.367 0.267 . . . . 70.03 111.531 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.409 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 37.3 t -56.18 -42.31 76.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.046 0.538 . . . . 64.24 112.079 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.96 -29.04 35.44 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.709 0.262 . . . . 63.23 111.709 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -85.97 12.54 9.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.642 0.608 . . . . 72.32 112.642 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 102' ' ' SER . 10.1 mtmp? -69.02 81.56 0.31 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.601 0.715 . . . . 72.2 110.41 170.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.11 -38.21 2.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.555 1.142 . . . . 74.12 110.312 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -92.49 90.15 7.05 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.444 1.098 . . . . 74.13 110.694 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -114.43 159.96 19.71 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.95 0.9 . . . . 64.51 111.301 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.4 mm . . . . . 0 N--CA 1.491 1.59 0 C-N-CA 123.614 0.766 . . . . 71.5 110.707 177.095 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.581 0.229 . . . . 72.43 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.62 -171.38 54.94 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.818 0.687 . . . . 72.53 114.818 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -78.61 123.22 26.88 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.936 0.494 . . . . 62.34 111.511 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -126.19 126.95 44.92 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.0 0.92 . . . . 71.13 109.086 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 62.52 -168.08 0.2 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.017 0.927 . . . . 71.14 111.598 -171.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -65.79 163.57 16.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.843 -0.536 . . . . 73.44 111.569 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -75.08 109.2 8.36 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.679 0.392 . . . . 72.45 110.704 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -147.16 -33.16 0.29 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.505 0.722 . . . . 70.21 110.566 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m 55.82 -158.22 0.23 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.179 0.991 . . . . 64.41 111.773 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -158.71 91.83 1.08 Allowed 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.579 0.704 . . . . 75.24 111.514 168.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.5 ttt -70.72 -25.65 63.04 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 122.027 0.917 . . . . 62.35 109.314 162.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.603 HG22 ' HG3' ' A' ' 13' ' ' LYS . 63.3 mt -59.15 136.15 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-N 113.39 -1.732 . . . . 73.44 110.698 172.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.603 ' HG3' HG22 ' A' ' 12' ' ' ILE . 92.3 mttt 65.04 113.32 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.068 1.747 . . . . 71.25 113.117 -177.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -114.75 -54.95 2.53 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.614 0.766 . . . . 75.13 109.703 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.552 ' HB ' ' HG2' ' A' ' 17' ' ' GLU . 75.2 p -135.6 -65.46 0.6 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.639 0.775 . . . . 73.45 110.731 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 t30 61.25 20.91 11.46 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.866 1.266 . . . . 52.34 111.551 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HG2' ' HB ' ' A' ' 15' ' ' THR . 13.6 pt-20 -142.1 163.47 39.74 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.366 1.066 . . . . 72.12 110.464 -172.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' HG3' ' A' ' 21' ' ' LYS . 14.4 Cg_endo -57.12 149.3 63.99 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.449 2.099 . . . . 74.35 113.736 173.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -59.15 -28.94 67.05 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.695 1.198 . . . . 75.33 112.0 177.268 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -52.35 -49.32 64.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.979 0.912 . . . . 75.44 112.124 171.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 mttt -65.04 -44.76 88.02 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.989 0.516 . . . . 61.54 112.192 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 81.5 tttt -61.35 -50.43 72.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.827 0.451 . . . . 75.42 111.094 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -57.07 -48.36 78.76 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.698 0.799 . . . . 72.3 111.395 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.44 79.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.214 0.606 . . . . 74.24 111.638 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -67.61 -40.46 84.71 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.775 0.83 . . . . 71.22 112.33 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.63 HD12 HD22 ' A' ' 58' ' ' LEU . 31.0 mt -72.73 -40.72 65.86 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 122.104 -0.373 . . . . 74.3 111.525 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.666 HG12 ' HB1' ' A' ' 46' ' ' ALA . 82.0 mt -58.47 -39.45 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 123.919 0.887 . . . . 60.42 110.687 171.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -60.8 -55.5 32.34 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.127 0.971 . . . . 72.42 111.72 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.633 ' HB2' HD13 ' A' ' 65' ' ' LEU . 54.3 mt-30 -68.27 -24.04 64.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.747 0.819 . . . . 64.11 113.101 -174.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 93.7 p -73.02 -29.47 63.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.912 0.386 . . . . 74.15 111.061 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 67.9 mtp180 -85.13 -19.93 31.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.736 -0.666 . . . . 72.15 111.682 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -86.15 106.58 17.37 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.906 -1.146 . . . . 74.52 107.906 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' A' ' 69' ' ' ASP . 12.7 mmm180 -145.87 171.75 14.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.472 0.709 . . . . 74.43 110.254 -173.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.81 -47.33 56.12 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 115.668 -0.696 . . . . 75.32 112.408 169.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.9 pt -109.27 139.17 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-O 121.502 0.668 . . . . 75.23 112.096 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -11.87 60.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.987 0.915 . . . . 74.43 112.072 173.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 35' ' ' ILE . 18.0 mm-40 -57.66 -50.51 72.94 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.411 0.685 . . . . 71.51 110.677 172.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.6 m -72.66 -28.19 62.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.797 0.839 . . . . 72.23 111.857 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -48.69 69.41 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.886 0.474 . . . . 73.5 110.872 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -58.21 -34.1 70.03 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.349 0.66 . . . . 74.12 112.483 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -72.56 -59.41 2.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.367 0.667 . . . . 74.11 111.793 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 67.6 mt -74.98 -25.19 58.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.992 0.917 . . . . 71.33 113.397 -172.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 t -65.2 -52.19 56.32 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 122.956 0.502 . . . . 71.31 111.49 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.26 94.74 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.999 -0.546 . . . . 71.24 113.073 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.75 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.68 0.792 . . . . 72.12 111.501 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -72.17 -45.96 58.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.976 0.511 . . . . 64.23 112.369 -175.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.08 72.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.221 0.608 . . . . 74.34 112.106 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -87.19 -54.99 4.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.779 0.832 . . . . 74.14 112.285 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.81 -49.95 16.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.127 0.571 . . . . 64.54 112.172 -173.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 27' ' ' ILE . 9.2 mp -60.89 -23.96 65.61 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 113.072 0.767 . . . . 71.11 113.072 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -55.76 -33.46 64.33 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.453 0.701 . . . . 75.13 111.607 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -121.81 -1.51 9.42 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.096 0.958 . . . . 62.02 112.496 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD23 ' A' ' 58' ' ' LEU . 53.1 ttm -76.91 138.76 39.92 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.725 0.81 . . . . 72.13 112.486 -174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.52 165.94 13.5 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.188 0.995 . . . . 73.13 110.821 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 20.3 mt-10 -59.42 -36.47 75.94 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.558 0.948 . . . . 54.13 113.558 -173.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.4 pt-20 -54.91 -44.95 74.64 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.959 0.904 . . . . 62.44 112.05 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 26.3 mt-10 -76.21 -32.99 59.25 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.85 0.86 . . . . 75.41 111.107 176.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.63 HD22 HD12 ' A' ' 26' ' ' LEU . 88.5 mt -63.74 -29.24 70.48 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.958 0.903 . . . . 62.43 112.591 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 71.2 mm-40 -64.96 -44.15 90.34 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.67 0.747 . . . . 63.22 110.44 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -71.12 -33.45 70.13 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.027 -0.988 . . . . 74.41 110.64 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 46' ' ' ALA . 71.5 t80 -68.01 -35.13 77.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.172 0.589 . . . . 71.34 111.77 174.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.99 -42.79 99.94 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.69 0.396 . . . . 61.54 110.084 174.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -57.42 -31.96 66.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.588 0.755 . . . . 44.35 112.056 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.0 tp -70.46 -35.46 73.34 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.395 0.678 . . . . 73.23 111.429 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 29' ' ' GLN . 20.8 mt -65.19 -33.19 75.42 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.394 0.678 . . . . 72.12 110.329 175.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.8 -22.4 64.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.143 0.977 . . . . 74.53 112.465 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.73 175.53 9.86 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.58 0.752 . . . . 71.23 111.948 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.03 135.85 36.06 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.753 0.421 . . . . 74.33 110.821 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' ' HE ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -52.83 -47.51 67.66 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.089 1.356 . . . . 62.01 114.492 -172.051 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -53.84 -49.22 68.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.862 0.465 . . . . 70.1 111.943 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.35 -44.27 92.0 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.504 0.721 . . . . 61.34 111.482 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.2 mt -52.04 -46.67 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 124.058 0.943 . . . . 71.01 111.188 175.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -68.49 -38.82 81.33 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.421 -0.809 . . . . 74.12 112.08 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -73.11 -23.41 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.499 0.555 . . . . 75.13 112.499 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -83.18 -34.45 25.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.029 0.532 . . . . 64.32 110.774 173.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.68 77.84 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.428 0.691 . . . . 34.52 112.021 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -97.44 175.91 6.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.84 0.856 . . . . 32.4 109.829 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -89.0 65.21 7.43 Favored 'General case' 0 CA--C 1.559 1.294 0 O-C-N 121.802 -0.561 . . . . 53.54 109.616 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -127.84 41.32 3.53 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.402 1.081 . . . . 51.24 109.638 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.38 -26.38 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.146 0.979 . . . . 72.5 112.457 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -20.85 59.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.286 0.235 . . . . 65.4 111.624 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -79.61 -54.48 5.84 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 70.33 109.354 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.5 m -124.19 107.38 30.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 123.821 0.848 . . . . 72.1 109.479 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.09 135.64 60.08 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.068 2.512 . . . . 74.14 113.014 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.73 123.87 89.75 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 122.841 0.456 . . . . 51.24 110.932 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.83 162.34 14.07 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.457 2.105 . . . . 73.32 112.165 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.28 -34.12 71.9 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.889 0.876 . . . . 75.32 112.826 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.68 63.52 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.694 0.798 . . . . 73.0 112.749 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -106.29 -23.3 12.59 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.207 0.817 . . . . 74.1 113.207 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.26 68.97 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.85 0.86 . . . . 52.11 112.536 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -98.6 0.67 45.31 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.044 0.938 . . . . 72.42 113.425 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -73.67 137.99 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.425 0.898 . . . . 74.11 113.425 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 11.3 mmpt? -65.29 -48.75 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.502 -0.772 . . . . 72.24 110.031 170.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 19.1 tp -53.88 -43.5 69.64 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.18 1.392 . . . . 75.43 113.456 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' TRP . 26.0 tp -59.93 -43.93 94.65 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.333 -0.394 . . . . 64.11 111.768 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -70.95 -30.91 67.33 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.273 -0.421 . . . . 73.24 111.333 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 75.1 mm-40 -60.9 -46.83 89.09 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.186 0.517 . . . . 74.2 109.827 169.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.42 -38.91 81.67 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.691 1.196 . . . . 70.45 112.213 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -66.88 -50.81 61.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.559 0.744 . . . . 74.54 112.301 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.2 -24.05 61.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.111 -0.495 . . . . 64.43 111.553 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -74.08 -46.44 42.98 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.83 0.452 . . . . 73.34 111.34 169.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -57.38 -50.99 71.21 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.756 0.823 . . . . 70.32 112.347 -173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 107' ' ' LYS . 39.2 mt-10 -70.06 -22.57 63.06 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 62.43 112.848 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -120.44 19.2 12.07 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.172 0.804 . . . . 74.33 113.172 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -54.63 -68.43 0.19 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.614 1.166 . . . . 62.41 113.752 -170.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.09 20.07 17.34 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.496 0.718 . . . . 72.13 110.122 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 103' ' ' GLU . 22.6 mtpp -113.7 26.01 10.73 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.823 0.849 . . . . 52.12 110.758 -170.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.51 131.06 42.75 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.794 0.838 . . . . 74.24 111.948 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.164 0.986 . . . . 61.1 110.37 179.774 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 109.97 -0.381 . . . . 65.4 109.97 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.66 58.65 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 117.955 0.343 . . . . 73.14 112.913 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -77.52 -15.69 59.12 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.297 1.039 . . . . 72.33 111.838 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -52.94 112.32 0.83 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.038 0.935 . . . . 71.22 112.612 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -82.3 70.0 9.15 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 121.706 0.765 . . . . 74.51 109.272 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -141.47 115.54 9.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.535 1.134 . . . . 53.5 109.3 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -81.38 128.66 34.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.343 0.657 . . . . 61.05 111.132 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -79.34 156.2 28.1 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.915 0.486 . . . . 74.14 111.059 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -66.54 168.8 8.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.404 1.082 . . . . 62.12 113.332 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -84.8 49.29 1.69 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.659 0.784 . . . . 71.44 110.835 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.6 tpt -82.58 72.96 9.64 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 121.752 0.787 . . . . 75.13 112.142 -170.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.526 HG22 ' HG3' ' A' ' 14' ' ' ARG . 35.3 mm -127.25 117.28 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.329 1.451 . . . . 70.24 108.333 170.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -67.4 88.88 0.21 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.894 0.878 . . . . 61.44 111.659 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.526 ' HG3' HG22 ' A' ' 12' ' ' ILE . 44.7 mtm180 -134.27 115.6 14.31 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.767 0.827 . . . . 75.51 110.122 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -89.42 4.74 48.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.073 0.549 . . . . 73.43 111.267 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -82.95 166.75 18.6 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.178 0.591 . . . . 74.43 110.378 167.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 58.19 72.15 0.92 Allowed Pre-proline 0 CA--C 1.564 1.495 0 C-N-CA 124.125 0.97 . . . . 71.3 110.871 -167.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 21' ' ' LYS . 40.6 Cg_exo -61.05 170.41 4.9 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 123.147 2.565 . . . . 72.32 113.992 172.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 55' ' ' GLU . 2.5 mm? -69.05 -33.14 73.09 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.478 0.711 . . . . 73.21 111.076 172.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.96 -49.51 72.27 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.379 0.672 . . . . 72.14 111.164 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 88.3 mttt -72.36 -25.33 61.48 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.135 0.42 . . . . 74.03 112.135 178.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 33.4 ttmt -65.05 -51.52 61.05 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.844 0.293 . . . . 75.52 110.454 172.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.497 ' HA ' HD23 ' A' ' 50' ' ' LEU . 30.5 mtm180 -51.22 -52.02 48.48 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.674 0.609 . . . . 71.42 111.5 173.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.01 80.96 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.283 0.633 . . . . 43.33 111.951 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -64.91 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.662 1.185 . . . . 62.31 112.54 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.8 mt -79.45 -41.97 26.39 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 122.04 -0.412 . . . . 61.3 111.897 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.732 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.4 mt -59.95 -28.8 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.801 0.81 . . . . 64.13 110.942 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.83 -48.02 60.57 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.312 1.045 . . . . 74.44 111.812 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' HD13 ' A' ' 65' ' ' LEU . 42.7 mt-30 -75.77 -24.1 55.99 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 112.171 0.434 . . . . 75.55 112.171 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 94.6 p -68.73 -36.01 77.85 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.909 0.484 . . . . 54.22 111.88 -178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.54 -1.28 55.6 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 115.615 -0.72 . . . . 73.11 112.31 177.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -83.3 110.69 18.32 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.392 -0.966 . . . . 71.51 108.392 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' NE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -150.9 152.77 34.13 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.287 0.635 . . . . 74.43 111.783 -170.791 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.45 -25.56 60.89 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.021 -0.536 . . . . 64.03 112.948 171.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -129.33 153.19 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 123.865 0.866 . . . . 61.25 112.002 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 tp -72.11 -27.45 62.64 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.688 -0.687 . . . . 70.54 111.732 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 35' ' ' ILE . 43.3 mm-40 -56.64 -52.71 63.84 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.398 0.518 . . . . 63.15 112.398 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -74.4 -27.76 60.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.914 0.486 . . . . 62.25 111.917 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.29 -51.25 70.75 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.656 0.382 . . . . 72.31 111.433 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.5 -28.76 69.53 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.678 0.791 . . . . 64.43 111.547 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.9 tp -72.33 -60.7 2.1 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.878 0.871 . . . . 62.1 111.767 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.696 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 66.9 mt -75.99 -39.19 56.38 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.755 1.02 . . . . 74.43 113.755 -171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.9 t -63.15 -44.86 94.35 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 118.241 0.473 . . . . 64.43 111.438 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.4 77.45 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 116.152 -0.476 . . . . 71.21 113.318 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.19 -39.63 79.44 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.774 0.83 . . . . 70.44 110.646 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.29 -37.01 74.73 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.115 -0.948 . . . . 61.11 112.021 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.55 -25.14 61.26 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.841 0.682 . . . . 75.24 112.841 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -92.81 -55.75 3.25 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 112.732 0.642 . . . . 62.54 112.732 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.99 -47.18 12.99 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.99 1.107 . . . . 74.43 113.99 -167.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.3 mp -54.58 -32.55 58.78 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.528 0.936 . . . . 75.33 113.528 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -55.89 -33.38 64.58 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 74.43 112.549 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -119.22 -0.51 11.01 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.79 0.836 . . . . 64.34 112.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.545 ' SD ' HD23 ' A' ' 58' ' ' LEU . 49.0 ttm -74.99 140.13 43.41 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.68 0.792 . . . . 73.42 111.993 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -80.53 161.83 24.62 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.454 0.702 . . . . 71.24 111.478 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 19' ' ' LEU . 43.7 tt0 -61.21 -27.68 68.61 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.471 0.708 . . . . 74.13 111.74 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -54.45 -50.12 68.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.185 0.994 . . . . 74.2 111.922 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.8 -29.29 40.27 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.234 0.827 . . . . 64.03 113.234 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD23 ' SD ' ' A' ' 53' ' ' MET . 86.8 mt -63.45 -37.45 87.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 119.179 0.9 . . . . 71.25 112.263 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.87 -31.39 68.06 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 120.739 0.305 . . . . 75.55 111.079 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.82 -36.62 67.56 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.512 0.725 . . . . 75.42 110.763 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 57.5 t80 -69.27 -37.03 77.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.69 0.796 . . . . 74.3 110.869 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.74 -37.86 83.2 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.795 -0.639 . . . . 63.23 110.564 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -64.21 -38.03 89.61 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.539 0.736 . . . . 64.21 111.804 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.79 -28.61 69.14 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.761 0.825 . . . . 73.02 111.2 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.9 mt -78.37 -0.57 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.413 0.685 . . . . 73.42 112.517 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -107.81 9.18 28.99 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.527 0.731 . . . . 60.11 111.903 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -85.46 -163.06 0.79 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.172 0.589 . . . . 71.13 110.567 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -110.83 137.95 47.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.522 0.729 . . . . 74.45 110.37 172.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.581 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -45.95 -54.33 8.47 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.857 1.058 . . . . 74.43 113.857 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.94 -47.61 67.95 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.582 0.586 . . . . 72.02 112.582 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.96 -48.21 74.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.525 0.33 . . . . 63.42 111.264 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.03 -42.73 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 123.992 0.917 . . . . 62.05 111.219 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -65.75 -42.82 90.47 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.077 -0.965 . . . . 71.12 111.711 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -74.57 -26.72 60.13 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.216 0.45 . . . . 65.13 112.216 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.499 ' HB3' HD11 ' A' ' 95' ' ' LEU . 38.5 m0 -72.05 -44.02 64.0 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.879 0.371 . . . . 60.12 110.606 174.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -51.59 51.17 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.814 0.845 . . . . 30.35 112.856 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.9 p -72.19 -10.78 60.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.902 0.481 . . . . 75.53 112.296 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HE2' ' A' ' 80' ' ' PHE . 11.3 tmtt? 62.88 57.81 1.63 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.618 1.167 . . . . 75.14 109.208 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -134.93 65.79 1.55 Allowed 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 114.024 -1.444 . . . . 65.53 108.661 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HE2' ' HG2' ' A' ' 78' ' ' LYS . 67.6 m-85 -80.95 17.91 1.12 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.082 -0.963 . . . . 74.21 113.058 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -23.76 54.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.668 0.988 . . . . 73.31 113.668 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -131.45 -30.02 1.72 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.633 0.773 . . . . 73.23 111.449 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 95.41 49.12 Favored Pre-proline 0 N--CA 1.489 1.478 0 C-N-CA 123.43 0.692 . . . . 65.14 111.017 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.0 168.44 20.55 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.16 2.573 . . . . 62.3 113.359 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 26.7 tp -89.59 121.46 69.14 Favored Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 123.246 0.618 . . . . 70.03 111.725 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 15.3 Cg_exo -72.28 174.13 11.97 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.681 2.921 . . . . 55.01 113.767 174.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.11 -48.03 66.59 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.236 1.014 . . . . 70.53 113.037 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -67.62 -16.14 64.01 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.549 0.944 . . . . 71.14 113.549 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -100.85 -17.51 16.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.858 0.463 . . . . 73.21 111.355 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.96 111.21 2.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.03 0.532 . . . . 40.32 110.056 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 69.81 23.86 5.51 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.206 1.403 . . . . 54.03 112.722 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -81.19 129.64 34.67 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.875 0.47 . . . . 71.14 109.893 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 26.0 ttpp -67.61 -38.31 83.78 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 119.208 -0.425 . . . . 65.41 111.005 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.9 tp -52.1 -42.48 63.28 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.986 0.914 . . . . 51.31 111.729 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 75' ' ' TRP . 62.6 tp -57.85 -50.76 72.23 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.892 -1.049 . . . . 52.34 111.42 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -65.79 -31.45 72.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.936 0.494 . . . . 73.2 112.088 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 13.2 mm100 -61.75 -43.34 99.05 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.598 0.713 . . . . 73.4 109.888 171.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -71.43 -34.93 70.73 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.909 1.284 . . . . 73.34 111.742 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.35 -43.1 78.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.012 0.925 . . . . 75.54 111.439 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -65.09 -38.49 90.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.952 0.501 . . . . 74.01 110.858 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.96 -40.81 96.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.636 0.375 . . . . 70.01 111.553 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.593 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 28.8 t -58.4 -29.1 65.79 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.05 0.54 . . . . 74.51 112.105 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.44 -13.45 60.39 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.696 0.798 . . . . 74.35 112.156 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -105.06 10.82 33.88 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.315 1.046 . . . . 52.32 112.019 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 102' ' ' SER . 23.1 mtpp -87.13 31.49 0.72 Allowed 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.934 0.894 . . . . 73.22 112.16 176.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -87.59 -13.06 43.85 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.806 1.242 . . . . 75.1 112.351 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -75.88 87.12 2.85 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 122.566 1.174 . . . . 72.22 112.286 -171.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.07 165.41 15.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.256 -1.338 . . . . 73.13 111.846 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.489 1.476 0 C-N-CA 123.412 0.685 . . . . 74.2 110.26 177.406 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 111.713 0.264 . . . . 71.23 111.713 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 119.19 -168.05 13.34 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 114.531 0.573 . . . . 64.13 114.531 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -119.86 164.42 16.04 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.15 0.98 . . . . 71.35 111.459 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -153.39 160.42 42.63 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.321 0.648 . . . . 74.32 111.405 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -69.14 105.82 2.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.898 0.879 . . . . 74.3 112.334 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.15 161.67 21.52 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.453 0.701 . . . . 71.52 111.762 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -108.69 112.54 24.9 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.866 0.866 . . . . 73.1 109.633 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -75.67 76.83 2.65 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.146 0.578 . . . . 72.24 110.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -82.38 82.24 7.92 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 71.52 111.067 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -146.25 134.12 21.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.06 0.944 . . . . 75.34 110.582 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 ttm -135.24 127.43 30.01 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.27 1.028 . . . . 61.51 108.95 175.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.52 92.75 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.824 0.821 . . . . 74.31 109.494 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -106.93 25.07 11.77 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.854 1.261 . . . . 75.55 110.282 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.3 76.93 10.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.619 0.767 . . . . 72.25 110.685 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -60.41 -37.73 81.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.429 -0.805 . . . . 72.24 110.13 172.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.23 105.57 16.7 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.249 -0.887 . . . . 55.33 110.47 174.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -152.26 77.72 6.67 Favored Pre-proline 0 CA--C 1.56 1.33 0 C-N-CA 123.193 0.597 . . . . 52.25 110.187 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.556 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 36.1 Cg_exo -62.06 168.72 8.64 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.276 2.65 . . . . 71.35 113.908 170.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -33.27 74.61 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.753 0.821 . . . . 74.34 112.038 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.58 -45.62 89.6 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.006 0.523 . . . . 74.12 111.102 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 61.7 mttm -64.85 -39.7 93.98 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 116.515 -0.311 . . . . 73.31 111.391 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -64.46 -40.96 96.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.516 0.726 . . . . 64.35 111.406 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 47.3 ttp180 -56.16 -49.06 75.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.604 0.762 . . . . 72.14 111.024 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.93 95.95 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.97 -0.559 . . . . 51.1 111.969 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -64.19 -36.55 84.41 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.258 1.023 . . . . 63.23 111.976 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HB2' HD21 ' A' ' 50' ' ' LEU . 69.6 mt -73.16 -43.21 61.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.53 0.332 . . . . 65.3 111.681 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 50' ' ' LEU . 65.4 mt -60.32 -37.03 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.252 0.548 . . . . 53.34 110.209 173.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -61.33 -48.76 79.86 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.078 0.951 . . . . 74.12 111.454 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -69.62 -19.08 63.64 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.774 0.829 . . . . 70.52 112.43 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 m -76.46 -33.46 58.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.434 0.693 . . . . 71.11 110.561 172.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -82.39 -14.88 54.49 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.08 0.952 . . . . 70.55 111.584 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -85.98 110.7 19.65 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.513 -0.921 . . . . 63.31 108.513 166.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.33 -178.09 6.04 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 74.5 109.699 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.33 -18.43 5.81 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.079 -0.51 . . . . 34.41 112.857 168.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.78 133.77 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 124.039 0.936 . . . . 65.25 111.174 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.23 -33.99 77.07 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.122 0.969 . . . . 60.13 112.472 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -60.21 -46.11 90.87 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.229 0.538 . . . . 73.24 111.166 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -73.75 -31.93 63.59 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.714 -0.675 . . . . 71.4 111.752 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.57 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 34.8 t70 -65.34 -53.92 36.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.226 1.01 . . . . 64.0 111.437 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.33 -40.85 75.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.941 0.896 . . . . 71.02 111.428 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -58.94 5.18 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.971 0.908 . . . . 70.2 112.523 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 33' ' ' ARG . 76.3 mt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 112.886 0.699 . . . . 74.22 112.886 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.3 m -64.87 -42.64 94.67 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.375 0.27 . . . . 72.42 111.652 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.98 80.96 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 116.22 -0.445 . . . . 35.31 112.749 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -60.78 -39.34 88.49 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.736 0.814 . . . . 71.41 110.612 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.16 -39.15 78.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.401 0.68 . . . . 75.41 112.118 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.86 92.65 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.617 -0.72 . . . . 64.04 111.943 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.84 -55.92 3.73 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.391 0.676 . . . . 73.33 112.644 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.77 -31.74 46.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.379 1.251 . . . . 71.43 114.379 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.7 mp -64.51 -19.89 65.87 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.822 0.737 . . . . 74.31 112.534 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.72 -37.02 70.68 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 122.942 0.497 . . . . 70.41 112.047 172.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -92.09 -24.86 19.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.543 0.942 . . . . 64.52 113.543 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.8 mtm -84.28 141.13 31.17 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.24 0.83 . . . . 73.22 113.24 -171.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -86.99 167.22 14.44 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.393 1.077 . . . . 74.32 109.348 171.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.57 -31.92 62.57 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.459 0.704 . . . . 72.4 112.659 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -52.88 -47.59 67.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 123.638 0.775 . . . . 73.05 112.089 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 30.4 mt-10 -78.02 -34.32 50.7 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.269 1.027 . . . . 71.42 111.23 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' HG ' ' A' ' 50' ' ' LEU . 35.9 mt -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.236 1.014 . . . . 74.55 113.642 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -75.38 -29.84 59.96 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.644 0.377 . . . . 74.42 111.121 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -68.63 -35.43 77.27 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.294 0.569 . . . . 72.52 109.579 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.4 t80 -68.3 -36.26 79.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.181 0.592 . . . . 72.31 111.571 176.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.88 -37.97 86.56 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.792 0.437 . . . . 62.21 110.187 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 58.6 m -64.84 -30.07 71.06 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.685 0.794 . . . . 71.44 112.103 173.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD21 HD22 ' A' ' 98' ' ' LEU . 45.9 tp -75.45 -37.32 60.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.326 0.65 . . . . 63.3 111.244 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 71.1 mt -68.09 -28.24 67.17 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.79 0.805 . . . . 74.05 110.303 173.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.63 -20.1 64.45 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.92 1.288 . . . . 72.24 111.999 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 63' ' ' SER . 19.8 mm-40 -80.0 172.74 13.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 113.761 1.022 . . . . 75.43 113.761 -175.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.69 126.25 30.68 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.22 -1.355 . . . . 74.31 111.347 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.91 -66.73 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 115.09 1.515 . . . . 63.23 115.09 -171.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -53.71 -40.5 66.1 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.063 0.392 . . . . 73.13 111.625 -177.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 -42.91 93.86 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.761 -0.654 . . . . 72.01 110.957 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 42' ' ' LEU . 75.1 mt -53.59 -45.47 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 C-N-CA 123.918 0.887 . . . . 64.25 111.073 174.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -66.89 -40.83 87.88 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.225 -0.898 . . . . 74.43 111.917 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -76.68 -29.06 56.18 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.465 0.543 . . . . 70.22 112.465 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -75.22 -32.38 61.13 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.959 0.504 . . . . 74.42 110.742 173.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.57 76.1 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.431 0.692 . . . . 71.41 111.821 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -95.83 172.76 7.82 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.271 0.628 . . . . 75.24 110.675 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -89.9 69.37 7.48 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 108.069 -1.086 . . . . 73.13 108.069 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -147.8 77.93 1.44 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.956 0.884 . . . . 73.34 109.918 -175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -103.72 0.4 30.48 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 115.338 -0.847 . . . . 64.33 112.164 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 -18.87 60.87 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.046 0.538 . . . . 72.03 112.124 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -106.75 -35.2 7.05 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.774 0.83 . . . . 64.42 111.551 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.8 m -130.88 97.12 21.1 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 123.63 0.772 . . . . 64.52 110.142 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.77 146.82 96.37 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.046 2.497 . . . . 64.13 112.454 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 28.0 tp -84.17 117.51 68.88 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 122.873 0.469 . . . . 72.53 111.034 -177.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.534 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 5.7 Cg_exo -76.68 163.78 31.16 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.079 2.519 . . . . 75.11 111.932 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.7 -38.05 71.76 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.833 0.853 . . . . 72.51 112.181 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -59.44 -28.46 66.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.232 1.013 . . . . 75.21 113.652 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -114.44 -4.87 12.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 122.079 -0.388 . . . . 73.11 111.951 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.32 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.801 0.841 . . . . 73.34 112.493 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -121.75 12.23 10.58 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.969 0.908 . . . . 74.02 111.808 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -77.37 119.39 20.93 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.226 0.611 . . . . 74.42 111.771 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.65 -32.33 70.94 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.245 0.34 . . . . 70.23 110.857 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.04 -43.35 81.89 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.487 0.715 . . . . 63.14 111.534 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.61 -39.85 95.41 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.843 -0.617 . . . . 74.14 111.085 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.36 -37.73 88.39 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.011 0.524 . . . . 54.54 110.897 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -64.11 -38.63 91.74 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.989 0.916 . . . . 62.02 111.056 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 64' ' ' LEU . 35.9 tp -69.7 -33.67 72.84 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.309 1.044 . . . . 75.33 111.067 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.46 -41.33 69.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.858 0.863 . . . . 74.22 111.422 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.85 -40.62 95.96 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.544 0.738 . . . . 64.3 111.179 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 72.7 t80 -69.06 -49.61 55.85 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.893 -0.594 . . . . 74.54 111.356 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -56.59 -40.29 75.01 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.701 0.801 . . . . 71.11 112.748 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.74 -29.79 51.3 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.116 0.566 . . . . 73.02 111.898 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -100.62 31.1 3.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.377 0.671 . . . . 70.12 112.024 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 8.4 mtpm? -80.87 41.9 0.6 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.604 0.716 . . . . 55.01 110.604 168.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.52 10.88 39.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.689 1.196 . . . . 75.54 111.01 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.23 -12.67 60.01 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.76 0.824 . . . . 75.0 110.301 171.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.76 172.66 11.05 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.553 1.541 . . . . 74.32 110.051 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.6 pt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.135 0.493 . . . . 61.11 111.011 177.793 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 120.427 0.155 . . . . 71.34 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.81 149.93 17.82 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 112.344 -0.303 . . . . 43.52 112.344 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -111.96 115.63 29.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.468 0.707 . . . . 75.14 109.671 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -59.42 120.15 8.81 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 122.732 0.413 . . . . 55.11 111.591 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -69.08 117.31 10.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.955 0.502 . . . . 72.14 111.269 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.95 155.37 38.72 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.363 0.665 . . . . 72.14 111.12 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -76.57 -179.58 5.35 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.701 0.801 . . . . 75.13 112.447 -174.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -79.92 47.53 0.88 Allowed 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.597 0.759 . . . . 70.13 112.304 177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -74.37 143.49 44.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.476 0.71 . . . . 72.53 112.194 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -68.02 148.9 50.37 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.116 0.566 . . . . 75.04 110.943 173.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.0 ptp -147.38 134.41 20.34 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.087 0.555 . . . . 62.21 110.905 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.91 119.55 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 108.635 -0.876 . . . . 53.42 108.635 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -86.34 115.27 23.77 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 122.359 0.264 . . . . 73.52 110.687 -172.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -81.32 4.67 19.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.826 0.851 . . . . 71.34 113.007 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -74.62 82.78 2.04 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.858 0.837 . . . . 72.03 111.766 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -152.68 139.86 19.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.364 1.065 . . . . 74.21 108.474 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -120.23 112.42 34.58 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.013 0.525 . . . . 64.23 110.634 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 49.5 Cg_exo -59.04 159.18 22.61 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 123.138 2.558 . . . . 72.35 112.989 167.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.97 -36.45 72.59 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.296 1.038 . . . . 60.11 111.506 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.67 -34.29 73.77 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.39 0.676 . . . . 74.11 111.605 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 88.5 mttt -74.69 -30.26 61.5 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.62 0.368 . . . . 75.4 111.64 173.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' HE3' HD11 ' A' ' 26' ' ' LEU . 35.3 tttp -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.919 0.487 . . . . 71.35 110.267 170.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -52.81 -50.74 63.06 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.604 1.162 . . . . 63.12 111.428 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.56 84.97 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.273 0.629 . . . . 53.32 112.134 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -71.41 -33.35 69.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.263 0.625 . . . . 73.24 112.029 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' HE3' ' A' ' 22' ' ' LYS . 93.4 mt -66.0 -45.36 81.87 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.408 -0.182 . . . . 63.34 110.519 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.542 HG12 ' HB1' ' A' ' 46' ' ' ALA . 70.8 mt -56.94 -39.05 62.89 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 123.709 0.804 . . . . 71.33 111.116 173.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -65.17 -39.07 92.42 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.525 1.13 . . . . 74.11 112.118 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.7 mt-30 -79.95 -16.38 55.37 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.884 0.874 . . . . 71.23 111.77 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -72.75 -35.99 67.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.818 0.847 . . . . 74.44 109.983 169.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -80.16 -10.32 59.76 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.765 -1.107 . . . . 51.42 112.59 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 59.7 mttm -101.73 112.74 25.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.023 -0.732 . . . . 63.34 109.023 167.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -150.74 158.83 44.61 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.558 0.743 . . . . 74.3 110.54 -173.632 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.9 -31.34 69.9 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 116.455 -0.339 . . . . 75.15 113.322 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 37' ' ' GLU . 41.8 pt -130.84 151.62 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.29 0.636 . . . . 71.22 111.893 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.8 -19.43 60.76 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.965 0.906 . . . . 74.01 112.722 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.6 mp0 -64.64 -52.78 55.6 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.204 0.602 . . . . 75.13 110.651 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.6 m -73.26 -28.79 62.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.354 0.662 . . . . 73.1 111.257 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.04 -48.59 75.72 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.703 0.401 . . . . 74.43 111.319 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.82 -40.09 83.13 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.147 0.579 . . . . 72.14 111.689 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.73 -58.39 7.64 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.35 1.06 . . . . 72.23 112.012 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.73 -37.2 59.58 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.828 1.047 . . . . 74.12 113.828 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 m -65.31 -42.26 93.21 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 118.284 0.493 . . . . 70.42 111.717 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -41.03 84.36 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 116.556 -0.293 . . . . 72.43 112.5 173.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -62.04 -35.27 78.1 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.039 0.936 . . . . 74.44 110.63 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -74.16 -40.56 62.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.239 0.616 . . . . 71.55 111.822 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.62 87.71 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 116.221 -0.445 . . . . 61.23 111.934 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -82.36 -55.5 4.47 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.559 0.744 . . . . 65.55 112.59 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -78.12 -49.6 13.6 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 118.796 -0.621 . . . . 72.25 112.528 -171.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.9 mp -60.75 -22.54 64.14 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.562 0.949 . . . . 71.04 113.562 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -64.1 -33.37 75.61 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 122.367 0.267 . . . . 72.21 111.556 174.719 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.27 12.06 12.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.598 0.759 . . . . 72.14 112.284 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 58' ' ' LEU . 55.6 ttm -83.61 133.32 34.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.436 0.694 . . . . 74.14 111.293 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -74.91 160.82 30.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.776 0.43 . . . . 74.21 111.748 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.86 -39.49 77.92 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.465 1.106 . . . . 62.53 111.656 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.8 -41.7 95.59 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.147 0.979 . . . . 72.11 112.585 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.37 -33.53 73.2 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.21 111.65 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.607 HD23 ' SD ' ' A' ' 53' ' ' MET . 84.6 mt -58.42 -29.22 65.94 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.058 0.943 . . . . 72.1 112.394 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.93 -36.98 72.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.451 0.7 . . . . 73.25 112.165 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.93 -38.21 72.9 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.053 0.454 . . . . 74.3 110.529 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -68.84 -33.52 73.96 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.095 -0.502 . . . . 62.04 111.37 175.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.87 -44.94 86.95 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.878 0.871 . . . . 72.4 109.353 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m -57.25 -43.92 83.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.939 0.896 . . . . 34.32 112.225 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.38 -31.67 72.37 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.97 0.908 . . . . 72.12 111.852 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 29' ' ' GLN . 91.5 mt -75.12 -15.5 60.59 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 113.007 0.744 . . . . 65.24 113.007 178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -88.11 -14.85 37.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.911 0.484 . . . . 62.4 111.675 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.78 157.41 28.46 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.862 0.465 . . . . 52.32 112.179 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.62 124.48 23.37 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.742 0.817 . . . . 73.32 110.203 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.3 p30 -46.33 -56.22 6.15 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.655 1.182 . . . . 74.51 113.966 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -50.89 -47.37 60.62 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.204 0.602 . . . . 75.21 112.205 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.42 -49.06 78.65 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.59 0.756 . . . . 70.32 111.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -54.59 -40.01 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 123.878 0.871 . . . . 73.24 111.185 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.63 -43.23 69.66 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.645 -0.707 . . . . 72.14 111.544 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -66.4 -34.54 78.19 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.288 0.635 . . . . 73.31 112.236 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.501 ' HB3' HD11 ' A' ' 95' ' ' LEU . 34.5 m0 -70.5 -40.43 73.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.754 0.422 . . . . 74.42 110.741 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.89 69.99 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.493 0.717 . . . . 74.53 112.401 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.19 -1.82 44.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.594 0.757 . . . . 75.0 112.154 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 65.85 14.51 9.6 Favored 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 125.201 1.4 . . . . 64.23 112.403 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.49 84.58 6.78 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.576 0.751 . . . . 72.14 110.036 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -91.13 14.65 13.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.212 0.605 . . . . 74.43 112.304 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -56.99 -46.97 81.88 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.407 1.083 . . . . 53.53 112.422 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t -109.44 -26.39 10.02 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.155 0.582 . . . . 74.45 112.419 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -124.44 95.76 42.6 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 123.455 0.702 . . . . 75.03 110.443 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.67 160.6 35.69 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.26 2.64 . . . . 64.14 113.359 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 86' ' ' PRO . 34.3 tp -91.85 123.21 63.83 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 122.797 0.439 . . . . 74.33 111.465 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.612 ' HD2' HD12 ' A' ' 85' ' ' LEU . 86.5 Cg_endo -81.58 157.96 19.12 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 123.03 2.487 . . . . 64.13 112.543 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 -33.03 70.79 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.188 0.995 . . . . 62.45 113.1 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -56.33 -39.1 72.27 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.77 0.828 . . . . 61.3 112.073 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HB3' HD22 ' A' ' 95' ' ' LEU . 83.4 m95 -97.4 -26.39 14.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.856 0.463 . . . . 74.21 111.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.62 89.0 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.274 0.559 . . . . 75.13 111.668 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.7 11.82 38.74 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.615 0.766 . . . . 73.5 112.385 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.3 p -92.69 139.82 30.17 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.675 0.39 . . . . 64.5 110.898 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -70.87 -36.51 72.84 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.669 0.788 . . . . 74.14 111.382 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.39 -45.94 87.34 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.22 1.008 . . . . 75.24 112.735 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.793 ' HG ' HE22 ' A' ' 99' ' ' GLN . 40.0 tp -58.75 -43.75 90.34 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.047 0.451 . . . . 73.23 110.88 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.14 -27.43 66.44 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.793 0.437 . . . . 74.34 111.456 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.72 -36.07 82.57 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.437 0.695 . . . . 73.5 111.337 167.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.27 -43.49 77.66 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.257 1.023 . . . . 65.52 112.425 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.793 HE22 ' HG ' ' A' ' 95' ' ' LEU . 1.4 mp0 -63.49 -46.76 84.65 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.169 0.433 . . . . 54.23 112.169 176.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.25 -24.15 63.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 111.631 0.234 . . . . 72.43 111.631 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.14 -39.85 65.37 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.578 0.351 . . . . 75.11 110.941 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.8 t -57.15 -30.79 64.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.581 0.752 . . . . 72.12 111.427 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -66.14 -49.87 65.96 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.715 0.806 . . . . 74.33 110.738 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -69.5 -15.32 63.23 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.381 1.072 . . . . 71.12 112.876 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -65.77 -20.33 66.22 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.678 0.791 . . . . 62.31 112.25 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.24 20.38 11.57 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.757 0.823 . . . . 62.33 111.57 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt 54.29 43.65 30.2 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.234 1.414 . . . . 55.22 113.404 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -89.87 16.11 8.7 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.381 0.882 . . . . 75.32 113.381 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.487 1.411 0 C-N-CA 124.807 1.243 . . . . 74.22 111.833 -173.693 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.313 0.101 . . . . 73.1 111.039 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.02 165.28 31.37 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 114.663 0.625 . . . . 24.13 114.663 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -79.19 95.27 5.57 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 121.726 0.774 . . . . 75.41 110.194 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -126.02 30.87 5.56 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.783 0.833 . . . . 74.54 110.749 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -57.3 -44.81 84.4 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 123.94 0.896 . . . . 75.31 111.813 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.2 m170 57.87 85.58 0.09 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.942 1.297 . . . . 50.3 113.263 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.16 119.77 31.54 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 75.32 109.461 173.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -65.06 100.14 0.41 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.313 0.645 . . . . 74.23 111.608 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t -64.22 127.82 33.11 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.589 0.756 . . . . 72.05 110.381 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.69 31.97 0.47 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.289 0.848 . . . . 72.45 113.289 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.9 mtp -83.57 145.43 28.87 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.326 1.051 . . . . 73.31 111.019 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.6 mt -69.21 87.92 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-O 121.326 0.584 . . . . 64.21 110.751 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -136.61 1.09 2.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.448 1.099 . . . . 65.14 111.456 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -85.55 -6.54 59.17 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.743 0.817 . . . . 71.45 110.952 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -75.68 7.26 3.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.959 1.303 . . . . 53.52 113.163 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.38 -78.33 0.45 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.494 0.717 . . . . 54.2 111.11 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 51.23 83.76 0.22 Allowed Pre-proline 0 CA--C 1.569 1.688 0 C-N-CA 124.873 1.269 . . . . 64.44 112.865 -173.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.568 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 73.8 Cg_endo -73.07 167.27 27.78 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.681 2.254 . . . . 74.12 113.249 170.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -34.36 77.9 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.054 0.942 . . . . 73.33 110.919 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.46 -28.32 67.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.628 0.771 . . . . 75.21 112.666 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 30.5 mttm -66.83 -41.56 87.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 119.429 -0.319 . . . . 73.55 111.103 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.1 ttpt -58.16 -53.44 58.21 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.234 0.334 . . . . 70.12 110.648 172.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.54 -53.23 54.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.883 0.873 . . . . 63.45 112.314 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.237 0.615 . . . . 53.41 111.943 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.96 -31.54 69.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.61 0.764 . . . . 52.04 112.025 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 97.5 mt -70.01 -44.19 69.82 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.429 0.292 . . . . 74.04 110.844 174.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -60.35 -32.32 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 C-N-CA 123.234 0.614 . . . . 72.34 110.744 172.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.57 -53.61 39.5 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.514 0.726 . . . . 71.35 110.805 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.5 mt-30 -66.19 -18.08 65.13 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.51 112.509 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.57 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 83.0 p -83.38 -46.19 12.84 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.45 0.7 . . . . 74.4 111.883 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -80.45 1.41 29.35 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.545 -0.752 . . . . 72.43 111.68 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -115.84 109.48 17.69 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 109.053 -0.721 . . . . 70.11 109.053 168.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.9 mmp_? -135.63 -171.37 2.83 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 124.553 1.141 . . . . 74.03 110.046 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.74 -26.87 25.87 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-N 116.359 -0.382 . . . . 62.01 112.401 168.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.6 pt -126.27 141.6 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.629 0.771 . . . . 61.04 111.678 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -21.79 64.43 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.828 0.851 . . . . 62.23 111.172 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.32 -52.38 64.94 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.762 0.825 . . . . 74.4 111.026 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 m -74.29 -28.28 61.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.66 -0.7 . . . . 43.54 111.708 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.82 -45.21 74.4 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 118.286 0.494 . . . . 74.11 111.284 169.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.41 -41.49 94.02 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.838 0.455 . . . . 72.44 111.649 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 62.0 tp -65.53 -60.54 2.83 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.417 -0.81 . . . . 74.32 111.815 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 33' ' ' ARG . 69.1 mt -76.2 -34.39 59.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.882 1.067 . . . . 70.34 113.882 -172.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -67.46 -44.62 78.16 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 118.921 0.782 . . . . 63.13 111.004 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.07 99.75 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 116.097 -0.501 . . . . 65.15 112.303 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.81 -35.35 77.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.17 0.988 . . . . 73.23 111.007 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.16 -48.45 35.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.976 0.51 . . . . 75.14 112.292 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.11 61.57 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.0 -0.546 . . . . 51.13 112.011 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -92.59 -56.59 2.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.307 0.643 . . . . 75.12 112.104 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -81.81 -41.24 21.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 113.865 1.061 . . . . 65.04 113.865 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -62.96 -23.61 67.5 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.558 1.072 . . . . 61.52 112.539 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.78 -34.36 77.66 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.624 0.77 . . . . 73.53 111.325 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -22.17 16.83 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.032 0.753 . . . . 72.14 113.032 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.9 mtm -80.62 143.6 32.99 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.727 0.775 . . . . 74.35 112.487 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -100.73 -177.7 3.55 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.506 -1.224 . . . . 73.2 110.098 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.69 -46.28 40.26 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.522 1.129 . . . . 74.32 113.163 -171.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.68 -45.73 81.75 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.997 0.919 . . . . 70.4 112.263 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.07 -38.11 75.66 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.457 -0.792 . . . . 61.14 111.698 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 50' ' ' LEU . 45.1 mt -61.36 -46.7 89.1 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.502 0.927 . . . . 62.52 113.502 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.62 -27.91 66.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 122.039 -0.413 . . . . 74.43 111.836 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.17 -38.37 81.98 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.152 0.581 . . . . 63.52 110.316 170.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' HD1' HD11 ' A' ' 94' ' ' LEU . 38.3 t80 -62.41 -34.59 77.05 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.478 0.711 . . . . 73.1 112.47 178.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.07 -46.26 75.42 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.267 0.627 . . . . 71.12 111.592 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.6 m -55.5 -38.2 68.85 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.875 0.87 . . . . 74.31 112.601 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.12 -34.33 76.18 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.717 0.807 . . . . 73.25 111.66 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.2 mt -71.47 -23.58 61.85 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.701 0.8 . . . . 72.32 111.966 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -80.33 -12.42 59.6 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.997 0.519 . . . . 73.13 111.831 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -79.78 161.37 25.74 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.12 0.568 . . . . 73.44 111.816 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.91 123.72 20.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.286 1.034 . . . . 65.41 109.608 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -50.18 -46.19 54.07 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 114.175 1.176 . . . . 61.41 114.175 -176.075 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -55.61 -48.49 74.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.658 0.383 . . . . 72.31 111.823 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.75 -47.49 84.46 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.421 0.688 . . . . 74.25 111.327 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 69' ' ' ASP . 78.5 mt -51.03 -43.62 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 C-N-CA 124.148 0.979 . . . . 72.31 111.148 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -71.3 -38.26 71.76 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 115.205 -0.907 . . . . 75.12 111.688 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.45 -21.41 49.14 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.814 0.672 . . . . 72.45 112.814 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -80.01 -38.67 31.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.844 0.457 . . . . 74.44 109.932 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.15 -33.42 73.39 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.558 0.743 . . . . 43.51 111.512 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 p -104.61 -171.38 1.91 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.771 0.828 . . . . 74.14 110.726 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -111.44 92.69 4.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.332 0.653 . . . . 73.24 109.48 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -127.12 -74.45 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.681 -0.859 . . . . 54.32 108.681 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 66.58 -4.11 0.78 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.145 1.378 . . . . 72.04 114.626 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.04 -59.0 2.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.551 0.74 . . . . 72.31 109.615 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.8 p -66.38 -40.52 89.77 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.341 1.056 . . . . 60.44 111.103 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m -143.42 92.74 6.55 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.71 1.204 . . . . 72.35 109.946 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.69 161.23 46.78 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.877 2.384 . . . . 74.53 113.161 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -85.73 121.6 73.22 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 122.955 0.502 . . . . 71.31 111.106 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 13.9 Cg_exo -72.76 153.96 53.91 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 123.142 2.561 . . . . 51.32 112.465 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.26 -34.39 72.19 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.583 1.153 . . . . 71.31 112.594 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.526 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 20.7 ptmt -56.12 -36.73 68.54 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.596 1.158 . . . . 72.51 113.38 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.447 ' HB3' HD22 ' A' ' 95' ' ' LEU . 88.2 m95 -92.14 -19.62 22.09 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.955 0.502 . . . . 64.24 112.168 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.0 67.15 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.534 0.734 . . . . 61.45 112.951 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.51 -21.45 14.75 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.369 0.668 . . . . 74.31 112.371 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.6 m -64.13 126.41 27.63 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.148 0.579 . . . . 63.43 112.454 -174.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 62.0 tttm -62.99 -35.24 79.54 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.079 0.552 . . . . 71.35 110.52 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.576 HD11 ' HD1' ' A' ' 61' ' ' TYR . 47.4 tp -50.28 -49.71 52.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.511 1.124 . . . . 74.23 113.086 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 89' ' ' TRP . 56.7 tp -61.76 -37.53 84.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.109 -0.496 . . . . 55.45 111.031 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.68 -37.53 87.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.763 0.425 . . . . 63.24 109.958 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 20.8 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.805 0.842 . . . . 73.21 110.767 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.84 -40.88 83.69 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.316 1.046 . . . . 73.3 111.389 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.2 -28.06 67.77 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.556 1.143 . . . . 74.43 112.181 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.45 -54.65 9.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.7 0.4 . . . . 70.52 110.807 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 104' ' ' ASN . 54.2 t80 -64.43 -34.43 78.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.888 0.699 . . . . 71.44 112.888 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.45 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 87.9 p -51.55 -41.27 60.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.249 0.62 . . . . 54.41 111.44 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.56 -32.43 36.64 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 115.418 -0.81 . . . . 75.44 111.354 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.418 ' HB2' ' HA ' ' A' ' 101' ' ' PHE . 2.7 m-20 -87.72 9.72 20.63 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.19 0.996 . . . . 75.22 113.337 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.6 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 10.2 mtmp? -70.96 82.83 0.67 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.254 0.549 . . . . 62.14 110.685 173.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.28 -44.89 2.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.399 0.679 . . . . 72.24 111.261 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -104.0 84.81 2.3 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.134 0.492 . . . . 72.11 111.433 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.45 74.51 6.08 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 122.142 0.972 . . . . 65.43 110.574 172.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.4 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-N 115.499 -0.773 . . . . 75.33 112.096 -173.584 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 121.058 0.456 . . . . 71.44 111.703 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.18 -27.48 6.13 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 116.558 1.383 . . . . 72.3 116.558 165.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -161.76 145.26 12.34 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.181 0.991 . . . . 63.34 112.512 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -88.79 -64.81 1.09 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.748 -0.834 . . . . 74.54 108.748 167.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -138.14 98.25 3.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.202 1.001 . . . . 72.42 108.672 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -71.77 -41.01 68.88 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.923 -0.58 . . . . 54.23 110.442 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -89.89 111.31 22.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.008 0.523 . . . . 72.32 109.831 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -157.76 130.15 7.23 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.248 0.619 . . . . 64.3 110.638 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 t 59.12 -164.86 0.2 Allowed 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.025 0.93 . . . . 54.32 111.754 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.1 t60 72.48 -9.16 1.09 Allowed 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 124.622 1.169 . . . . 75.34 113.632 168.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.7 ttt -81.89 79.55 8.4 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 123.363 0.665 . . . . 74.21 111.849 -173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt 45.49 92.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 126.051 1.74 . . . . 64.44 114.22 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -112.78 -20.22 11.71 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.835 0.854 . . . . 71.32 111.837 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -99.31 132.92 44.3 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.707 0.803 . . . . 62.31 112.042 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 p -84.26 -35.93 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.346 0.658 . . . . 72.04 111.034 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 65.48 76.84 0.32 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.024 1.33 . . . . 54.41 110.742 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 61.33 98.69 0.04 OUTLIER Pre-proline 0 CA--C 1.561 1.393 0 C-N-CA 124.74 1.216 . . . . 73.33 112.239 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.3 138.59 64.46 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.09 2.527 . . . . 71.53 112.664 169.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -65.58 -26.85 68.04 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.346 0.659 . . . . 74.41 110.521 177.334 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.179 0.992 . . . . 75.41 110.841 170.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.68 -32.24 65.65 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.141 0.576 . . . . 72.05 112.49 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -62.4 -52.04 65.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 120.949 0.404 . . . . 65.24 110.193 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HE ' HD11 ' A' ' 58' ' ' LEU . 95.8 mtt180 -60.94 -41.28 95.96 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.435 -0.802 . . . . 74.43 110.916 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.92 78.15 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.269 0.628 . . . . 71.13 111.337 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -67.48 -40.58 85.26 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.614 0.766 . . . . 74.23 111.827 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.43 -45.75 68.41 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.916 0.389 . . . . 74.55 111.087 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.681 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.6 mt -60.76 -34.23 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.719 1.207 . . . . 75.32 111.254 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.11 -54.21 41.44 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.133 0.973 . . . . 72.13 111.248 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.0 mt-30 -68.48 -22.18 64.57 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 62.0 112.61 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.738 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.2 p -80.0 -27.5 39.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.973 0.509 . . . . 64.3 111.692 175.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.35 -16.27 37.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.97 0.508 . . . . 72.41 111.525 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -87.63 107.82 18.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.903 -1.147 . . . . 70.01 107.903 166.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.7 mmp_? -145.12 169.99 17.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.606 1.162 . . . . 64.15 109.022 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.42 -57.84 4.89 Favored Glycine 0 CA--C 1.541 1.688 0 CA-C-N 116.492 -0.322 . . . . 44.43 112.445 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.561 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.8 pt -99.19 148.02 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.512 0.725 . . . . 70.44 112.385 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.4 mm? -74.03 -15.95 61.07 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.646 -0.706 . . . . 62.32 112.245 174.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 35' ' ' ILE . 41.4 mt-10 -62.7 -48.75 77.92 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.214 0.531 . . . . 73.31 111.144 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.4 m -72.02 -34.3 68.71 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.339 0.656 . . . . 74.03 111.134 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 19.1 t70 -55.27 -55.28 33.2 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 123.229 0.611 . . . . 70.12 111.289 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.55 -39.39 73.34 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 123.847 0.859 . . . . 73.41 112.406 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.88 -57.03 13.36 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.652 -0.704 . . . . 72.1 111.51 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.738 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 77.2 mt -73.97 -25.46 59.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.95 0.9 . . . . 63.3 112.914 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -63.16 -49.96 72.28 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.622 0.769 . . . . 72.13 111.273 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.92 88.32 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 115.99 -0.55 . . . . 53.12 112.933 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.97 -44.32 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.842 0.857 . . . . 75.52 111.652 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.4 -44.71 67.41 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.079 0.551 . . . . 61.24 112.385 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -29.27 70.22 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.802 -0.636 . . . . 63.12 112.35 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -89.79 -55.39 3.65 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.562 0.745 . . . . 74.2 111.85 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.28 -45.45 47.59 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.486 0.921 . . . . 75.21 113.486 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD22 HG13 ' A' ' 27' ' ' ILE . 10.0 mp -61.87 -26.53 68.2 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.616 0.969 . . . . 60.35 113.616 -174.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.28 -43.73 85.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.795 0.438 . . . . 64.2 111.295 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -89.86 -18.6 25.89 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.137 0.575 . . . . 74.24 112.49 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.2 mtm -83.57 137.0 34.04 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.269 0.557 . . . . 71.53 111.54 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 m-20 -80.16 166.94 20.96 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.031 -0.986 . . . . 73.34 110.423 173.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.7 mp0 -56.94 -31.06 64.59 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.648 1.179 . . . . 74.21 112.173 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.34 -36.52 84.28 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.192 0.997 . . . . 71.12 110.918 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.04 -40.31 24.42 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.435 1.094 . . . . 72.34 112.189 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 54' ' ' ASN . 84.8 mt -56.08 -37.16 68.96 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 124.658 1.183 . . . . 72.51 114.05 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.71 -28.45 68.44 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.877 0.471 . . . . 62.02 112.061 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.79 -34.68 69.6 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.799 0.44 . . . . 75.25 110.47 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.96 -35.12 80.15 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.725 0.41 . . . . 73.41 111.553 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -32.74 70.78 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 123.79 0.836 . . . . 71.32 111.581 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -65.42 -36.6 84.42 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.493 0.717 . . . . 61.23 111.722 175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -69.35 -29.7 67.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.679 0.792 . . . . 65.25 112.005 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 29' ' ' GLN . 61.1 mt -66.88 -24.52 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.568 0.747 . . . . 65.14 112.108 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -77.22 -17.32 58.56 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.32 1.048 . . . . 74.43 111.987 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.58 157.99 23.26 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.373 0.669 . . . . 62.23 111.621 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.42 135.41 56.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.61 0.764 . . . . 73.24 109.697 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.97 -55.08 7.28 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.661 1.185 . . . . 73.53 111.975 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -54.4 -46.94 73.24 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.354 -0.839 . . . . 74.54 112.026 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -60.96 -47.86 84.46 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.381 0.672 . . . . 52.14 112.158 -179.422 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 42' ' ' LEU . 77.6 mt -52.53 -46.94 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.537 0.735 . . . . 73.54 110.752 175.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.11 -39.58 82.74 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 115.026 -0.988 . . . . 73.22 111.823 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -76.4 -41.91 46.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.614 0.598 . . . . 62.34 112.614 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD11 ' A' ' 95' ' ' LEU . 22.9 m0 -62.59 -37.33 85.81 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.144 0.497 . . . . 71.01 110.294 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.477 ' HB1' ' OG ' ' A' ' 102' ' ' SER . . . -63.67 -47.28 81.87 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.301 1.041 . . . . 62.12 112.326 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -81.64 0.4 38.73 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.52 0.728 . . . . 73.41 112.013 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 74.39 12.64 3.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.418 1.487 . . . . 60.41 112.431 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.33 86.68 7.34 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.869 0.868 . . . . 65.15 110.379 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -88.91 4.68 47.11 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.472 0.709 . . . . 61.44 112.896 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -64.02 -60.08 3.68 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.222 0.609 . . . . 42.44 111.793 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -80.78 -38.14 29.04 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.863 0.865 . . . . 74.22 111.868 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 m -114.92 96.5 44.97 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 123.8 0.84 . . . . 72.34 110.185 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.97 149.91 66.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.907 2.405 . . . . 54.52 112.28 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.9 tp -83.12 123.64 77.2 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.221 0.609 . . . . 70.24 111.78 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -67.55 157.5 61.47 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.535 2.823 . . . . 74.53 112.825 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.82 -36.1 82.06 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.118 0.967 . . . . 74.21 112.784 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -60.12 -27.28 66.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.572 0.749 . . . . 63.24 112.74 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -96.06 -14.44 22.92 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.714 0.406 . . . . 74.01 112.072 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.82 102.85 0.13 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.824 0.45 . . . . 73.42 110.952 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 68.61 17.5 8.95 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.014 1.326 . . . . 75.45 113.233 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -66.71 137.66 56.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.215 0.606 . . . . 52.41 110.932 173.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -55.27 -49.81 71.12 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.068 0.547 . . . . 75.12 111.231 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -56.82 -42.4 79.54 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.488 0.715 . . . . 72.14 112.284 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.7 tp -63.68 -43.58 96.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.246 178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -59.89 -46.14 90.29 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.231 0.612 . . . . 71.3 110.871 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.99 -37.79 83.71 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.148 0.979 . . . . 62.15 111.602 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.8 tp -68.98 -42.33 76.7 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.784 0.833 . . . . 73.42 111.248 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -65.93 -43.57 87.7 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.606 0.762 . . . . 73.01 111.584 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.26 -37.56 87.72 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.167 0.587 . . . . 64.14 110.992 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -70.73 -42.94 69.87 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 111.741 0.274 . . . . 75.54 111.741 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.477 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 60.6 m -62.44 -38.0 88.05 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.152 0.797 . . . . 73.5 113.152 -174.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG3' ' ND2' ' A' ' 104' ' ' ASN . 11.0 pt-20 -81.63 -27.97 33.9 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.175 0.435 . . . . 74.55 112.175 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.449 ' ND2' ' HG3' ' A' ' 103' ' ' GLU . 65.8 m-80 -109.19 37.87 2.46 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 123.403 0.681 . . . . 61.31 111.609 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -66.14 -62.09 1.67 Allowed 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 124.19 0.996 . . . . 72.23 112.474 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -122.9 23.57 9.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.8 0.84 . . . . 75.23 112.061 -167.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -69.89 -8.67 50.57 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.071 0.767 . . . . 71.42 113.071 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.65 153.39 42.88 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.699 0.799 . . . . 72.03 111.478 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.599 0.76 . . . . 72.22 110.52 175.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.56 1.332 0 N-CA-C 111.74 0.274 . . . . 74.54 111.74 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.68 -31.65 71.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.674 0.39 . . . . 61.21 111.968 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.45 -39.43 77.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.309 0.244 . . . . 61.35 111.038 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HA ' HD23 ' A' ' 50' ' ' LEU . 54.2 mtt-85 -60.44 -46.19 90.95 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.801 0.441 . . . . 74.14 109.877 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.212 0.605 . . . . 71.12 111.788 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -65.35 -50.0 67.24 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.145 0.978 . . . . 72.2 112.108 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.93 -39.09 79.82 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.06 0.544 . . . . 63.53 111.595 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.712 HG13 HD22 ' A' ' 50' ' ' LEU . 93.9 mt -65.17 -36.13 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 123.779 0.832 . . . . 72.22 110.907 172.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.34 -48.03 77.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.419 0.688 . . . . 75.44 111.925 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -70.4 -25.02 63.04 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.391 0.677 . . . . 55.15 111.164 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -68.82 -32.24 71.8 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.067 0.947 . . . . 64.31 111.543 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.58 4.09 54.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.95 0.9 . . . . 73.15 111.808 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -98.9 111.32 23.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 107.689 -1.226 . . . . 71.42 107.689 161.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.63 152.33 37.7 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.886 0.875 . . . . 74.32 111.187 -167.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.0 -35.91 37.41 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-N 115.796 -0.638 . . . . 65.13 113.539 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' A' ' 69' ' ' ASP . 41.6 pt -124.38 151.78 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-N 117.319 0.56 . . . . 75.34 112.007 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.2 mm? -72.56 -25.26 61.29 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.021 0.928 . . . . 70.22 112.345 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.17 -51.35 66.77 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.044 0.45 . . . . 44.22 111.766 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.456 ' H ' HG13 ' A' ' 35' ' ' ILE . 30.7 m -72.83 -29.64 63.39 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.275 0.63 . . . . 54.53 111.254 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t70 -59.31 -54.68 44.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.012 0.525 . . . . 73.43 111.852 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.78 -38.32 90.18 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.582 0.753 . . . . 34.24 111.707 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.88 -59.68 5.03 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.81 0.844 . . . . 73.24 111.669 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' ARG . 66.5 mt -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.958 0.725 . . . . 64.32 112.958 -176.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -48.14 75.86 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.622 0.647 . . . . 74.04 111.525 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.43 -40.17 79.69 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.57 -0.741 . . . . 52.54 112.745 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -62.34 -48.29 80.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.813 0.845 . . . . 53.34 111.643 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -66.1 -48.5 70.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.329 0.652 . . . . 44.11 112.095 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.19 67.09 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.72 -0.673 . . . . 65.32 112.38 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -91.07 -54.99 3.71 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.014 0.926 . . . . 75.22 112.499 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.03 -36.35 35.89 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.289 1.036 . . . . 74.11 113.104 -168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HG ' HD22 ' A' ' 58' ' ' LEU . 8.5 mp -64.42 -22.38 66.94 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 118.628 0.649 . . . . 71.01 112.733 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -66.55 -43.94 83.7 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.764 0.425 . . . . 74.11 111.443 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -88.68 -24.1 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.997 0.74 . . . . 73.43 112.997 -175.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 63.0 mtm -82.59 143.55 30.95 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.053 0.761 . . . . 72.13 113.053 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -77.25 163.98 26.01 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.493 1.117 . . . . 73.4 109.893 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 43.8 tt0 -55.52 -35.12 65.29 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 112.456 0.539 . . . . 74.52 112.456 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.99 -48.76 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.731 0.812 . . . . 72.45 111.361 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 27.5 mm-40 -65.31 -37.89 88.51 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.695 0.798 . . . . 63.32 111.725 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 50' ' ' LEU . 24.2 mt -62.53 -29.01 70.25 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.705 0.802 . . . . 72.32 112.539 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 6.7 mm-40 -77.25 -31.76 55.25 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.444 0.697 . . . . 64.35 111.618 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.73 -35.9 81.19 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.174 0.511 . . . . 74.41 109.723 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -69.95 -34.17 73.07 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.843 -0.617 . . . . 74.02 111.425 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.61 -43.56 97.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.361 0.664 . . . . 42.44 109.721 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -58.57 -29.92 66.78 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.602 0.761 . . . . 71.1 112.46 173.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.16 -33.97 61.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.678 0.791 . . . . 50.55 111.581 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.94 -24.55 64.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.05 0.54 . . . . 75.32 112.201 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -74.2 -15.18 61.01 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.395 0.678 . . . . 74.15 112.376 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.7 160.56 18.81 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.168 0.587 . . . . 73.15 111.378 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.14 144.97 30.38 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 75.41 111.75 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.3 m-20 -40.52 -65.46 0.41 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.18 1.392 . . . . 74.45 114.289 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -62.99 -35.78 81.33 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.416 0.447 . . . . 65.43 112.202 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.05 -49.14 75.73 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.136 0.273 . . . . 52.03 110.78 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.06 -45.05 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.99 0.916 . . . . 72.21 111.121 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.38 -40.28 93.29 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.351 -0.841 . . . . 63.24 111.646 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.09 -40.56 71.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.954 0.502 . . . . 72.13 111.702 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HB3' HD11 ' A' ' 95' ' ' LEU . 20.2 m0 -65.39 -35.99 82.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.8 0.333 . . . . 73.1 111.262 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.28 75.72 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.789 0.836 . . . . 74.04 112.416 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.8 p -85.3 -1.27 56.79 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.46 0.704 . . . . 74.45 112.18 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 69.82 19.04 7.26 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 125.07 1.348 . . . . 75.11 112.449 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -82.43 66.62 8.12 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 121.896 0.855 . . . . 72.4 109.949 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -76.22 -9.33 58.55 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.851 . . . . 64.51 111.975 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.09 -50.88 71.47 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.994 0.918 . . . . 51.51 111.093 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 m -76.37 -55.38 5.6 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.344 -0.389 . . . . 63.43 110.638 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -112.0 103.06 54.97 Favored Pre-proline 0 N--CA 1.487 1.388 0 C-N-CA 123.401 0.681 . . . . 72.12 110.538 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.56 148.05 83.49 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 122.982 2.454 . . . . 63.43 112.714 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.1 tp -81.25 118.45 72.35 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-O 119.297 -0.382 . . . . 75.24 111.739 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -72.1 165.22 33.27 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.345 2.697 . . . . 74.53 113.14 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.97 -46.03 85.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.106 0.962 . . . . 72.52 112.354 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -55.24 -24.24 26.77 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.359 0.874 . . . . 75.42 113.359 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -106.23 -23.3 12.61 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.562 0.579 . . . . 74.12 112.562 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.26 73.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.962 0.905 . . . . 63.35 112.73 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -111.4 11.8 21.52 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.132 0.573 . . . . 75.42 112.231 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -88.06 132.84 34.14 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.839 0.456 . . . . 71.31 111.923 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.07 -38.31 75.71 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 116.144 -0.48 . . . . 73.54 111.283 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.55 -43.31 75.71 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.823 0.849 . . . . 72.5 112.346 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 75' ' ' TRP . 16.0 tp -56.23 -48.64 76.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.37 0.605 . . . . 72.33 111.268 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.85 -32.32 73.51 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.085 -0.962 . . . . 72.42 111.166 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.82 -39.69 94.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.559 0.743 . . . . 74.52 110.724 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.9 tp -68.62 -37.19 79.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.11 0.964 . . . . 65.34 111.351 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.22 -45.99 68.47 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.263 0.625 . . . . 61.43 111.301 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.56 -23.97 66.29 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.812 0.845 . . . . 70.14 111.802 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -73.89 -47.8 35.49 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.885 0.474 . . . . 74.41 110.39 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.5 m -56.05 -37.98 70.0 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.941 0.896 . . . . 75.5 113.259 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.04 -33.07 73.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.851 0.46 . . . . 53.3 111.698 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 . . . . . 0 CA--C 1.554 1.107 0 C-N-CA 123.011 0.524 . . . . 72.12 111.582 179.206 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 CA--C 1.554 1.129 0 N-CA-C 112.487 0.551 . . . . 72.25 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -68.23 -32.37 72.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.604 0.638 . . . . 74.4 111.494 168.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.9 tttp -64.75 -54.63 28.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.722 -0.844 . . . . 62.11 108.722 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 27' ' ' ILE . 38.6 ttm180 -53.28 -54.41 36.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.854 1.261 . . . . 71.35 112.169 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.17 79.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.45 0.7 . . . . 72.33 112.396 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -72.41 -32.34 66.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.685 0.794 . . . . 70.51 111.829 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 83.4 mt -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 54.22 110.359 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 23' ' ' ARG . 39.5 mt -62.59 -31.11 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 C-N-CA 123.891 0.876 . . . . 71.22 111.441 175.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.83 -51.28 50.27 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.79 0.836 . . . . 74.52 111.502 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.596 ' HB2' HD13 ' A' ' 65' ' ' LEU . 43.0 mt-30 -74.35 -13.19 60.71 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.206 0.603 . . . . 61.42 112.347 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.76 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 85.3 p -88.86 -38.57 14.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.292 0.637 . . . . 44.3 111.217 174.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -77.81 -9.39 59.01 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.257 0.551 . . . . 73.41 110.146 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 111.68 23.84 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.55 -0.907 . . . . 74.23 108.55 163.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.49 168.56 20.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.734 1.214 . . . . 74.54 109.561 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.77 -59.03 7.48 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.561 -0.29 . . . . 62.21 113.056 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -96.13 154.24 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.123 0.569 . . . . 73.3 112.467 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 29.7 tp -72.26 -22.95 61.15 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.415 -0.811 . . . . 73.13 111.552 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HB2' HD12 ' A' ' 35' ' ' ILE . 2.1 mp0 -63.02 -52.17 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.436 0.694 . . . . 51.1 110.974 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.472 ' H ' HG13 ' A' ' 35' ' ' ILE . 20.1 m -73.52 -30.13 62.9 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.477 0.711 . . . . 65.11 111.334 175.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 18.8 t70 -54.66 -58.91 5.67 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.999 0.52 . . . . 75.02 111.563 174.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.8 mt -55.79 -35.66 66.54 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.658 0.783 . . . . 75.3 111.746 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.9 -60.41 2.89 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.063 0.945 . . . . 75.51 111.876 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.76 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 58.6 mt -76.1 -31.89 58.93 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.047 1.128 . . . . 35.44 114.047 -173.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.3 p -62.15 -48.67 79.06 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.135 0.425 . . . . 54.14 110.921 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.19 -44.82 85.58 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.446 -0.797 . . . . 32.42 113.048 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.17 -43.08 82.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.015 0.926 . . . . 73.43 111.762 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.35 -47.09 65.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.128 -0.942 . . . . 61.23 111.866 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -31.78 73.05 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.004 -0.543 . . . . 72.42 112.066 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.31 -55.87 3.35 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.942 0.897 . . . . 75.44 112.403 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.63 -26.87 45.32 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.636 0.976 . . . . 75.12 113.636 -171.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -66.54 -22.44 66.16 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 118.47 0.577 . . . . 72.43 112.097 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.72 -41.96 99.42 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.074 0.55 . . . . 73.14 111.309 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -22.26 25.24 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.672 0.619 . . . . 60.21 112.672 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.5 mtm -81.35 138.54 35.64 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.473 0.654 . . . . 62.14 112.059 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.62 175.04 6.53 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.316 1.446 . . . . 74.22 109.846 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.87 -47.4 31.79 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.153 1.381 . . . . 54.34 113.786 -169.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -71.95 -37.6 69.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.694 0.798 . . . . 75.53 111.268 -173.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -64.91 -41.34 95.64 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.865 0.866 . . . . 74.52 111.634 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HG ' ' A' ' 50' ' ' LEU . 66.4 mt -58.59 -29.08 66.16 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.047 0.939 . . . . 72.42 113.081 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -69.21 -39.01 78.86 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.023 0.529 . . . . 74.21 111.852 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.13 -34.22 77.55 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.969 0.507 . . . . 62.23 110.318 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HD1' HD11 ' A' ' 94' ' ' LEU . 35.5 t80 -67.46 -39.94 85.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.914 175.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.08 -34.59 72.15 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.311 0.645 . . . . 62.43 110.868 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 m -62.96 -37.88 88.88 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.89 0.876 . . . . 73.0 112.366 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.18 -30.92 71.01 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 123.384 0.674 . . . . 63.23 112.017 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 29' ' ' GLN . 51.5 mt -68.15 -21.29 64.92 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.386 0.674 . . . . 63.21 112.316 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -82.25 -6.63 59.36 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.111 0.564 . . . . 63.35 111.98 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.2 163.96 16.62 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.976 0.511 . . . . 64.32 110.458 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.32 137.52 35.75 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.647 0.379 . . . . 63.23 111.088 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.64 -52.2 18.83 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.809 1.04 . . . . 72.21 113.809 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -56.49 -44.38 80.62 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.296 0.48 . . . . 74.52 112.296 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.26 -51.18 68.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.501 0.32 . . . . 71.22 111.099 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 42' ' ' LEU . 81.2 mt -51.81 -38.16 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.08 0.952 . . . . 71.14 111.329 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -68.99 -47.04 66.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.831 -0.622 . . . . 64.31 111.574 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.72 -20.17 59.94 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.346 0.498 . . . . 73.44 112.346 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -77.33 -44.47 29.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.899 0.48 . . . . 74.03 110.629 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.69 -69.66 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.337 0.655 . . . . 60.14 111.163 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 p -75.5 111.31 10.67 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.574 -0.898 . . . . 73.15 108.574 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 84.69 0.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.963 0.905 . . . . 73.11 112.502 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -110.71 -59.3 1.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.857 -1.065 . . . . 71.34 109.609 171.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 54.83 20.27 2.98 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 124.417 1.087 . . . . 63.25 113.444 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -82.09 5.26 20.08 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.415 1.086 . . . . 65.11 113.287 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 t -162.83 -32.34 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.241 1.016 . . . . 71.3 110.576 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.0 m -109.94 98.17 32.94 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 123.647 0.779 . . . . 64.15 110.734 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.78 157.45 55.26 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.318 2.012 . . . . 74.33 112.141 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.9 tp -85.39 121.84 73.65 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 122.895 0.478 . . . . 72.42 111.48 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.676 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.2 Cg_exo -76.94 160.51 33.69 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.759 2.306 . . . . 73.13 112.226 173.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.57 -33.31 73.64 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.332 1.053 . . . . 70.33 111.945 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.4 ptmt -58.97 -23.03 61.33 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.481 1.112 . . . . 75.32 113.305 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -115.67 -16.47 11.27 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.627 0.603 . . . . 73.34 112.627 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.66 88.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.053 0.541 . . . . 72.05 111.225 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -99.0 10.11 42.17 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.767 0.827 . . . . 65.35 112.462 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -98.33 126.19 43.74 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.969 0.508 . . . . 61.52 111.286 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -70.2 -27.49 64.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.656 0.383 . . . . 64.33 110.935 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.424 HD11 ' HD1' ' A' ' 61' ' ' TYR . 50.5 tp -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.591 0.757 . . . . 75.43 112.286 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.38 -45.92 92.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.566 -0.743 . . . . 75.02 111.268 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.77 -28.47 67.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.445 0.698 . . . . 74.41 111.416 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -67.48 -36.06 80.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.116 0.966 . . . . 72.55 110.874 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.7 -33.88 60.36 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.858 0.863 . . . . 74.31 111.362 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.19 -45.85 68.92 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.908 0.883 . . . . 74.24 111.24 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.08 -36.8 80.4 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.696 0.399 . . . . 71.5 110.716 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.99 -37.52 86.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.333 0.253 . . . . 73.14 111.257 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.1 t -55.23 -28.77 55.54 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.893 0.477 . . . . 75.13 111.699 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.67 -43.28 23.04 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 123.873 0.869 . . . . 64.3 110.968 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 114.688 1.366 . . . . 64.43 114.688 -166.545 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 CA--C 1.559 1.321 0 CA-C-O 120.925 0.393 . . . . 72.52 111.475 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.29 -29.16 62.53 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.822 0.449 . . . . 72.5 111.635 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.21 -46.74 87.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.776 0.43 . . . . 61.24 110.563 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -56.36 -39.46 72.92 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.076 0.95 . . . . 73.23 110.808 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.97 92.84 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.472 0.709 . . . . 61.32 111.832 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -63.48 -33.7 76.15 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.961 0.904 . . . . 72.53 112.244 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.83 -49.08 21.88 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 122.706 0.402 . . . . 71.51 111.14 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 46' ' ' ALA . 75.8 mt -57.62 -33.11 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 C-N-CA 123.335 0.654 . . . . 70.1 111.238 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.37 -50.17 70.97 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.704 0.802 . . . . 63.25 111.492 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' HB2' HD13 ' A' ' 65' ' ' LEU . 47.4 mt-30 -81.58 -8.76 59.76 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.374 0.67 . . . . 71.34 112.636 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 71.0 p -84.31 -46.02 12.21 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.017 0.527 . . . . 74.25 110.773 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.61 2.87 20.82 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.501 -0.772 . . . . 54.41 111.583 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -114.93 112.03 22.08 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.464 -0.569 . . . . 73.15 109.464 163.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 42' ' ' LEU . 6.3 mmp_? -136.96 166.27 24.05 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.849 1.26 . . . . 72.23 109.672 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.26 -40.23 94.68 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 116.41 -0.359 . . . . 61.12 113.367 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.422 HG13 ' H ' ' A' ' 38' ' ' THR . 31.2 pt -108.73 149.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 122.807 0.443 . . . . 72.13 110.858 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.83 -22.11 59.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.81 0.844 . . . . 71.3 112.807 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.86 -52.3 51.46 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 120.905 0.383 . . . . 75.13 111.47 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.422 ' H ' HG13 ' A' ' 35' ' ' ILE . 28.7 m -72.84 -29.56 63.31 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.299 0.64 . . . . 62.14 111.394 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.42 -55.0 33.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.887 0.875 . . . . 74.33 111.127 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.92 -33.29 70.38 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.893 0.877 . . . . 71.41 112.05 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.5 -56.6 19.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.284 0.633 . . . . 75.24 111.341 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 33' ' ' ARG . 71.2 mt -74.25 -24.36 59.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.618 0.767 . . . . 71.03 112.399 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -62.61 -55.06 30.64 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.606 0.362 . . . . 55.22 110.987 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.43 95.46 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-N 116.035 -0.529 . . . . 42.0 113.116 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.42 -43.37 98.98 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.879 0.872 . . . . 74.24 111.222 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.91 -36.68 72.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.762 0.425 . . . . 61.33 112.101 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.87 86.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.634 -0.712 . . . . 73.32 112.057 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -86.38 -56.09 3.6 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.087 0.555 . . . . 72.42 111.705 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -74.97 -54.18 7.66 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 118.098 -0.953 . . . . 73.31 113.176 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.0 mp -54.39 -30.44 52.08 Favored 'General case' 0 N--CA 1.506 2.333 0 CA-C-N 119.115 0.87 . . . . 73.11 113.138 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.43 -29.68 70.68 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.704 0.801 . . . . 72.25 112.229 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -122.26 -3.84 8.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.876 0.87 . . . . 63.35 112.923 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.598 ' SD ' HD23 ' A' ' 58' ' ' LEU . 41.9 ttm -72.57 150.35 43.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.024 0.93 . . . . 61.42 111.492 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -77.67 151.41 34.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.28 0.632 . . . . 51.44 111.004 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.3 -40.28 74.07 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.584 1.154 . . . . 71.51 111.545 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.33 -35.27 75.25 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.48 1.112 . . . . 72.03 113.129 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 53' ' ' MET . 41.5 mt-10 -78.45 -32.91 48.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.288 0.635 . . . . 73.23 112.102 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD23 ' SD ' ' A' ' 53' ' ' MET . 81.0 mt -60.11 -35.99 76.45 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.713 1.005 . . . . 63.35 113.713 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.595 0.358 . . . . 72.34 111.699 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.73 -33.64 66.53 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.994 0.518 . . . . 75.01 110.098 172.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' HD1' HD11 ' A' ' 94' ' ' LEU . 45.5 t80 -66.81 -37.36 84.37 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.215 0.606 . . . . 75.14 111.996 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.85 -45.94 74.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.323 0.649 . . . . 74.32 110.301 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 m -59.29 -36.31 75.34 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.947 0.899 . . . . 54.44 112.258 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.23 -34.25 77.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.343 0.657 . . . . 65.55 111.874 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 29' ' ' GLN . 70.9 mt -71.52 -18.76 62.26 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.017 0.527 . . . . 64.02 111.922 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -84.23 -7.97 59.18 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.476 0.711 . . . . 51.35 112.153 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.12 167.5 16.71 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.293 0.568 . . . . 72.52 111.688 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 133.73 38.45 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.431 -0.804 . . . . 73.34 110.859 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -49.64 -54.39 18.76 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.177 1.391 . . . . 61.31 112.985 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -54.37 -47.11 73.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.377 0.671 . . . . 74.3 112.292 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.32 -45.68 93.41 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.212 0.605 . . . . 72.13 111.464 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 42' ' ' LEU . 70.2 mt -53.38 -46.64 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 124.019 0.928 . . . . 65.01 111.039 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.22 -45.25 94.21 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.627 -1.17 . . . . 74.11 111.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -70.15 -40.14 74.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.95 0.722 . . . . 75.43 112.95 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.486 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.4 m0 -64.14 -38.24 90.34 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.125 0.488 . . . . 74.12 110.852 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.61 13.22 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.973 -1.012 . . . . 72.41 111.824 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 p -83.81 6.48 21.2 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.006 0.922 . . . . 73.42 112.655 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 67.56 20.06 9.77 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.762 1.225 . . . . 75.35 113.134 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.87 60.81 5.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.637 0.775 . . . . 73.23 111.038 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 72.3 m-85 -74.94 0.97 13.96 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.512 0.725 . . . . 43.31 112.53 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -26.35 14.74 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.569 1.548 . . . . 73.23 113.811 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -128.69 -35.74 1.89 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.335 0.654 . . . . 74.31 111.972 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 m -116.14 100.74 53.75 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 123.003 0.521 . . . . 72.44 110.259 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.21 160.5 48.81 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.755 2.303 . . . . 73.42 112.829 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 33.8 tp -81.55 123.11 81.12 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 122.813 0.445 . . . . 71.24 111.164 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.9 Cg_exo -78.45 165.57 25.13 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.993 2.462 . . . . 62.43 112.988 175.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.78 -31.92 73.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.22 1.008 . . . . 74.23 112.067 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.7 ptmt -62.62 -29.08 70.35 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.033 0.933 . . . . 54.41 112.862 178.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -103.14 -16.77 15.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 112.576 0.584 . . . . 74.1 112.576 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.16 -31.53 65.49 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.547 0.739 . . . . 71.33 112.442 175.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -99.44 -5.63 29.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.805 0.842 . . . . 63.41 112.627 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -83.18 133.8 35.01 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.285 0.846 . . . . 74.42 113.285 -170.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -69.97 -41.54 74.32 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.107 0.963 . . . . 74.25 111.031 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 26.9 tp -51.9 -44.27 63.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.98 1.312 . . . . 63.41 112.777 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 75' ' ' TRP . 44.6 tp -53.62 -48.24 69.51 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.782 -0.645 . . . . 74.42 110.743 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 55.6 mttp -64.26 -37.3 87.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.223 -0.899 . . . . 73.53 111.308 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.0 -44.26 94.66 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.895 0.878 . . . . 74.23 110.982 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.29 -33.35 65.15 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.006 0.922 . . . . 72.51 111.752 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.32 -39.79 85.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.599 0.76 . . . . 70.42 111.314 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 19.1 mm-40 -67.46 -37.03 82.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.889 0.476 . . . . 62.31 111.715 175.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.02 -56.16 6.76 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.663 -0.244 . . . . 74.11 111.523 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.3 p -58.87 -45.4 90.26 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.16 0.984 . . . . 74.02 113.202 -169.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.97 -25.68 60.06 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.472 -0.785 . . . . 72.33 112.043 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 113.912 1.079 . . . . 71.11 113.912 -173.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 112.162 0.43 . . . . 63.32 112.162 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -70.16 -37.74 75.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 122.401 0.28 . . . . 65.22 111.662 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -60.94 -48.17 83.07 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 123.276 0.36 . . . . 65.01 110.179 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 50' ' ' LEU . 89.9 mtt180 -56.38 -55.05 38.3 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 115.409 -0.814 . . . . 70.41 111.303 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.45 70.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.391 0.676 . . . . 73.45 112.256 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.61 -39.88 84.72 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.552 1.141 . . . . 65.15 112.537 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.3 mt -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.577 0.351 . . . . 75.31 111.325 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.66 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.5 mt -59.02 -34.4 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 C-N-CA 123.776 0.83 . . . . 71.31 110.248 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.58 -39.66 80.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.724 0.809 . . . . 74.05 111.616 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.636 ' HB2' HD13 ' A' ' 65' ' ' LEU . 47.7 mt-30 -78.69 -10.11 59.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.153 0.581 . . . . 63.13 112.368 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -88.55 -32.36 18.2 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.13 0.572 . . . . 64.41 110.438 168.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -76.19 -9.94 59.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.906 0.882 . . . . 64.41 111.067 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -98.84 116.04 30.18 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.167 -1.049 . . . . 74.22 108.167 160.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -151.27 173.41 14.49 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.642 0.377 . . . . 74.1 110.225 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -63.01 2.14 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 112.057 -0.417 . . . . 70.23 112.057 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 37' ' ' GLU . 39.9 pt -99.28 153.4 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.106 0.562 . . . . 74.31 112.099 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.92 -24.67 59.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.724 0.809 . . . . 74.42 112.496 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 35' ' ' ILE . 27.6 mm-40 -59.36 -53.27 60.09 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.722 0.409 . . . . 75.15 112.071 176.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.413 ' H ' HG13 ' A' ' 35' ' ' ILE . 15.6 m -73.82 -30.13 62.54 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.882 0.473 . . . . 71.24 111.622 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.78 -55.87 25.44 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.258 0.623 . . . . 73.5 110.993 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.81 -30.58 67.07 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.564 0.745 . . . . 52.1 112.109 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.94 -52.05 66.68 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.196 0.598 . . . . 62.24 110.805 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.77 -35.33 62.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 72.54 112.329 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -73.18 -35.95 66.49 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 123.105 0.562 . . . . 45.42 112.492 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.71 -41.01 85.09 Favored Glycine 0 N--CA 1.478 1.447 0 CA-C-O 121.428 0.46 . . . . 63.02 112.01 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.33 -34.77 75.8 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.332 1.053 . . . . 73.33 110.505 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.86 -38.76 64.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.465 -0.788 . . . . 75.42 112.551 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.76 81.6 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 122.997 0.519 . . . . 54.41 112.147 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -88.61 -55.35 3.75 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.469 0.708 . . . . 60.12 112.858 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.52 -49.73 10.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.176 0.806 . . . . 70.35 113.176 -169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.7 mp -49.96 -41.63 47.07 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.329 0.863 . . . . 61.35 113.329 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.18 -21.63 66.34 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 114.939 -1.028 . . . . 72.13 112.381 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -112.27 -18.69 12.46 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.985 0.914 . . . . 75.03 111.977 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 mtm -76.39 150.74 36.75 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.492 0.663 . . . . 63.42 111.835 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 m-80 -87.35 163.98 16.5 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.133 -0.94 . . . . 63.42 110.918 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -51.21 -40.84 59.61 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.779 1.232 . . . . 74.32 112.011 -175.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.02 -42.02 97.66 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.508 1.123 . . . . 74.13 113.035 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.73 -43.79 68.18 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.65 0.78 . . . . 72.41 110.631 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD22 ' HG ' ' A' ' 50' ' ' LEU . 28.9 mt -55.68 -31.56 62.51 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.581 -1.19 . . . . 65.21 113.388 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.11 -42.15 94.25 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.132 0.573 . . . . 74.34 112.037 173.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.57 -34.35 75.66 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 116.43 -0.35 . . . . 73.52 110.333 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.8 t80 -64.22 -37.33 87.08 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.893 0.477 . . . . 72.42 111.317 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.08 -40.93 91.24 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.472 0.709 . . . . 72.14 110.673 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.3 m -64.48 -34.06 77.33 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.382 0.673 . . . . 60.25 111.903 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 98' ' ' LEU . 38.9 tp -69.53 -36.28 76.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.969 0.508 . . . . 65.34 111.055 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.0 mt -65.34 -35.77 81.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.613 0.765 . . . . 72.03 110.747 172.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.67 -21.57 66.1 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.828 1.251 . . . . 73.35 111.945 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -76.64 157.36 31.92 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.904 0.383 . . . . 64.42 111.527 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.0 125.36 28.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.532 0.733 . . . . 65.03 109.602 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.502 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.9 p-10 -42.97 -52.76 5.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.52 1.674 . . . . 75.43 115.52 -174.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -55.62 -45.24 77.56 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.316 0.487 . . . . 75.53 112.316 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -61.55 -47.6 84.78 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.778 0.431 . . . . 55.5 111.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' ASP . 57.4 mt -52.03 -45.61 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 C-N-CA 124.235 1.014 . . . . 71.44 111.38 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.89 -42.03 86.2 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.763 -1.108 . . . . 74.51 111.123 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.467 ' HD1' HD22 ' A' ' 79' ' ' ASN . 24.7 m-85 -68.98 -34.63 75.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.069 0.547 . . . . 75.41 111.848 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.441 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -68.65 -37.08 79.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 120.945 0.402 . . . . 74.34 110.521 174.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -75.56 -15.82 60.33 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.768 0.827 . . . . 71.45 112.948 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -114.66 5.17 15.29 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.44 0.696 . . . . 72.35 112.807 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 67.86 21.55 9.01 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 124.776 1.23 . . . . 73.23 114.252 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.467 HD22 ' HD1' ' A' ' 74' ' ' TYR . 76.8 m-20 -85.22 58.97 5.34 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.547 0.689 . . . . 64.12 110.779 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.08 -10.01 59.07 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.621 0.768 . . . . 75.34 112.363 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.13 -39.54 78.83 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.554 0.741 . . . . 62.14 111.964 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -91.6 -40.32 11.39 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 122.866 0.467 . . . . 74.13 111.221 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -126.62 97.22 33.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 C-N-CA 123.574 0.75 . . . . 55.32 109.808 172.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.55 152.52 80.59 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.492 2.128 . . . . 75.23 112.458 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 86' ' ' PRO . 31.0 tp -78.35 124.62 85.59 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 115.792 -0.64 . . . . 54.3 110.601 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 85' ' ' LEU . 91.7 Cg_endo -82.86 157.26 15.7 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.541 2.161 . . . . 71.02 111.786 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.79 -29.24 69.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.27 1.028 . . . . 75.25 112.512 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.53 -27.15 68.41 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.853 0.861 . . . . 73.32 113.242 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -111.81 -8.3 14.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.458 0.54 . . . . 71.12 112.458 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 1.1 12.75 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.304 0.854 . . . . 74.45 113.304 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.51 18.47 2.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.348 0.659 . . . . 70.15 111.059 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -86.27 130.08 34.64 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.79 0.836 . . . . 74.41 111.887 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.75 -43.42 72.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.132 0.573 . . . . 65.01 110.314 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.0 tp -50.27 -47.08 55.5 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.923 1.289 . . . . 64.44 113.063 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.8 tp -56.4 -46.4 80.16 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.902 0.881 . . . . 73.42 111.683 177.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.57 -33.28 68.95 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.221 -0.899 . . . . 62.44 111.377 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.05 -37.93 89.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.893 0.877 . . . . 75.44 110.877 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 64' ' ' LEU . 51.5 tp -67.27 -37.29 83.23 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.977 0.911 . . . . 73.2 111.313 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 78.9 mt-30 -70.34 -41.93 72.54 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.859 0.864 . . . . 71.41 111.843 176.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.43 -47.76 82.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.691 0.796 . . . . 61.11 110.466 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -57.94 -47.86 81.65 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.637 1.175 . . . . 73.33 111.383 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -53.98 -25.52 21.23 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.808 1.243 . . . . 74.52 113.658 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.5 -42.87 28.41 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 112.721 0.637 . . . . 64.24 112.721 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 p30 . . . . . 0 N--CA 1.503 2.19 0 N-CA-C 113.784 1.031 . . . . 74.22 113.784 -169.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 112.433 0.531 . . . . 54.41 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.5 -32.5 66.21 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 122.215 -0.303 . . . . 61.34 111.454 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.5 tttp -65.63 -48.59 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.131 0.573 . . . . 65.15 109.662 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' HG13 ' A' ' 27' ' ' ILE . 37.2 ttm-85 -49.22 -51.27 34.16 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.882 1.273 . . . . 65.24 110.189 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.7 96.98 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.307 -0.86 . . . . 64.41 112.511 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -65.56 -33.01 74.92 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.385 0.674 . . . . 74.14 111.555 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 78.1 mt -71.01 -45.37 64.07 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.937 0.495 . . . . 71.03 110.689 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.627 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.7 mt -54.34 -40.58 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.82 0.848 . . . . 51.41 111.502 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -58.87 -50.73 72.89 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.796 0.838 . . . . 55.31 112.011 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.542 HE21 HD13 ' A' ' 65' ' ' LEU . 25.3 mt-30 -72.65 -14.94 61.7 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.647 0.61 . . . . 75.14 112.647 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.1 p -89.8 -30.8 17.72 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.059 0.544 . . . . 63.15 112.292 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -77.47 -10.38 59.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.906 0.482 . . . . 73.34 111.917 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -105.66 113.09 26.44 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.967 -0.753 . . . . 53.52 108.967 163.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 65' ' ' LEU . 14.5 mmt180 -149.42 145.9 27.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.087 0.955 . . . . 70.12 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.63 -27.3 73.53 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 114.504 0.562 . . . . 75.44 114.504 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -105.38 134.6 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.472 0.709 . . . . 71.0 110.285 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.86 -41.38 97.79 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.226 0.611 . . . . 74.3 112.368 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.97 -37.98 75.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.404 0.52 . . . . 71.25 112.404 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 69' ' ' ASP . 91.8 m -68.3 -35.65 78.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.15 0.58 . . . . 74.44 110.862 173.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.35 -56.72 15.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.207 1.003 . . . . 73.13 110.609 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.62 -28.28 68.36 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.542 0.737 . . . . 73.1 112.06 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 101' ' ' PHE . 49.2 tp -64.18 -58.85 5.4 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.268 0.627 . . . . 43.13 110.767 174.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 87.0 mt -74.6 -30.04 61.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.921 0.711 . . . . 72.51 112.921 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -62.55 -56.94 13.3 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.4 0.68 . . . . 74.25 111.734 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -33.79 83.76 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.691 -0.686 . . . . 61.52 113.202 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.05 -42.15 93.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 63.33 110.401 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.08 -40.2 75.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.412 -0.813 . . . . 72.05 112.611 -176.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.86 83.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.258 0.466 . . . . 74.51 112.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -87.33 -55.71 3.69 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.652 -0.703 . . . . 70.42 112.74 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -79.96 -48.57 13.18 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.657 0.614 . . . . 64.45 112.657 -169.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.833 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.8 mp -55.99 -29.16 59.86 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.302 0.501 . . . . 73.41 112.345 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -54.99 -42.45 72.47 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.268 1.027 . . . . 73.52 111.7 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -106.7 -13.67 15.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.189 0.996 . . . . 75.33 113.022 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.48 ' SD ' HD23 ' A' ' 58' ' ' LEU . 46.7 ttm -69.26 146.42 52.3 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.636 1.174 . . . . 52.24 113.325 -171.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -73.48 155.69 38.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.71 0.804 . . . . 73.23 112.084 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.15 -43.5 61.24 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.751 1.62 . . . . 64.33 112.331 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.76 -46.93 80.08 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.918 -1.037 . . . . 62.22 111.887 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.7 -28.4 65.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.049 -0.978 . . . . 70.52 111.812 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' SD ' ' A' ' 53' ' ' MET . 68.9 mt -60.49 -37.12 80.04 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 122.904 0.482 . . . . 54.54 111.763 170.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.03 -30.51 63.8 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.75 0.42 . . . . 75.0 111.218 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.99 -34.71 78.36 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 121.132 0.491 . . . . 64.4 110.235 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.32 -36.15 76.68 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.39 0.676 . . . . 74.22 112.03 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.99 -40.49 73.39 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.76 0.824 . . . . 62.44 109.73 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -60.62 -43.46 97.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.163 0.985 . . . . 61.24 112.186 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.29 -29.09 70.47 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.045 0.938 . . . . 73.42 112.217 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.542 HD13 HE21 ' A' ' 29' ' ' GLN . 78.2 mt -70.6 -20.26 62.78 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.538 0.735 . . . . 54.54 112.728 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -87.06 -13.22 44.95 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.469 0.708 . . . . 64.31 111.764 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.74 163.53 25.31 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.684 0.624 . . . . 73.42 112.684 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.63 133.09 38.49 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.077 0.951 . . . . 73.52 112.106 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -47.41 -68.87 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 115.527 1.677 . . . . 75.45 115.527 -174.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -56.77 -38.32 72.32 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 117.818 0.281 . . . . 71.35 111.547 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.83 -47.47 85.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.496 0.318 . . . . 61.31 111.277 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.73 -45.11 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 123.992 0.917 . . . . 72.54 111.505 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.51 -44.01 97.84 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.184 -0.917 . . . . 72.43 111.801 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' ' HB2' ' A' ' 79' ' ' ASN . 67.2 m-85 -78.82 -26.44 44.24 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.856 0.687 . . . . 51.32 112.856 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.545 ' HA ' ' HE1' ' A' ' 80' ' ' PHE . 36.3 m0 -68.4 -40.59 81.23 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.338 0.59 . . . . 70.25 110.252 170.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -67.74 -38.87 84.11 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 114.868 -1.06 . . . . 62.51 112.295 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -87.23 -6.2 58.66 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.112 0.565 . . . . 72.01 112.352 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 64.21 21.84 12.66 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.048 1.339 . . . . 74.45 111.946 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' HD1' ' A' ' 74' ' ' TYR . 89.6 m-20 -92.89 78.87 4.69 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.16 0.984 . . . . 72.55 110.412 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.545 ' HE1' ' HA ' ' A' ' 75' ' ' TRP . 22.3 m-85 -82.79 10.18 8.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.272 0.841 . . . . 73.42 113.272 -173.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -61.07 -43.68 98.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.869 0.868 . . . . 75.11 112.45 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -95.39 -36.72 11.25 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.533 0.733 . . . . 50.2 110.887 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 38.8 m -135.03 87.64 28.83 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.126 0.971 . . . . 62.21 110.86 -170.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.518 ' HA ' ' HB3' ' A' ' 80' ' ' PHE . 32.4 Cg_exo -61.17 152.18 73.66 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.809 2.339 . . . . 73.23 113.374 175.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.7 122.85 82.65 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 123.379 0.672 . . . . 60.12 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.8 Cg_exo -74.17 154.07 46.57 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.799 2.333 . . . . 75.11 111.92 171.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.168 0.987 . . . . 61.03 112.918 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.4 ptmt -55.36 -49.2 72.89 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.577 0.751 . . . . 72.01 112.597 175.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.58 -18.88 36.77 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.254 0.464 . . . . 62.51 112.254 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.83 50.69 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 113.347 0.869 . . . . 72.24 113.347 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -115.48 1.1 13.57 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.44 0.696 . . . . 75.24 112.375 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -73.38 131.94 42.44 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 112.892 0.701 . . . . 70.13 112.892 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -57.84 -43.81 86.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.396 1.079 . . . . 53.15 111.246 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -56.94 -46.71 81.88 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.957 -1.02 . . . . 74.14 112.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.68 -39.29 84.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.804 0.442 . . . . 74.54 111.776 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 66.2 mttm -61.87 -41.33 97.72 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.336 0.654 . . . . 64.01 111.111 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.28 -35.72 78.29 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.109 0.964 . . . . 70.1 111.299 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.73 -38.89 84.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.994 0.918 . . . . 74.21 111.088 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -64.89 -38.09 89.81 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.742 0.817 . . . . 71.42 111.718 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 11.1 mm-40 -62.66 -39.7 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.804 0.442 . . . . 54.14 111.89 176.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' A' ' 41' ' ' LEU . 60.2 t80 -74.16 -45.72 46.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.85 -0.159 . . . . 73.32 111.281 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.616 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t -50.19 -54.19 22.65 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.254 1.021 . . . . 51.3 112.972 -176.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.31 -23.25 51.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.563 -0.744 . . . . 63.44 111.75 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 . . . . . 0 N--CA 1.487 1.395 0 C-N-CA 123.836 0.854 . . . . 64.21 111.588 -178.766 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 . . . . . 0 CA--C 1.554 1.108 0 N-CA-C 112.968 0.729 . . . . 55.01 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -71.84 -27.88 63.19 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.276 0.489 . . . . 70.14 111.901 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 78.4 tttt -68.48 -50.75 50.04 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.91 -0.404 . . . . 72.41 109.91 171.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.6 -42.47 78.81 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.634 0.774 . . . . 74.3 111.634 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.601 0.76 . . . . 65.2 111.72 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -60.77 -41.38 95.36 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.96 0.904 . . . . 64.02 111.437 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.1 mt -71.38 -44.12 65.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.007 0.523 . . . . 51.21 111.964 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.571 HG12 ' HB1' ' A' ' 46' ' ' ALA . 57.7 mt -62.68 -29.5 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 123.006 0.522 . . . . 72.31 110.848 171.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -73.39 -40.02 64.64 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.792 0.837 . . . . 75.31 112.4 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 65' ' ' LEU . 25.0 mt-30 -76.39 -14.68 60.06 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.224 0.609 . . . . 64.52 111.778 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.4 p -87.0 -17.83 32.07 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.449 0.7 . . . . 55.51 111.128 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -20.92 29.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.325 0.65 . . . . 74.01 111.281 171.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.49 111.46 23.56 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.559 -0.904 . . . . 72.24 108.559 171.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 5.0 mmp_? -147.29 156.06 42.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 74.44 110.525 -171.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.8 -35.42 35.68 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-N 115.832 -0.622 . . . . 71.02 113.818 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 69' ' ' ASP . 48.9 pt -128.18 154.89 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 117.546 0.673 . . . . 72.12 111.722 175.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.27 -28.86 62.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.867 0.867 . . . . 73.31 112.795 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.5 -38.35 84.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 122.002 -0.436 . . . . 75.33 112.105 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.8 m -73.49 -28.53 61.97 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.898 0.479 . . . . 70.13 111.142 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t70 -64.82 -48.31 74.85 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.786 0.434 . . . . 71.23 111.731 171.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.05 -28.31 68.11 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.197 0.599 . . . . 71.24 111.1 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 tp -73.03 -57.53 3.97 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.777 0.831 . . . . 73.44 111.386 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD11 HD13 ' A' ' 72' ' ' ILE . 57.6 mt -76.51 -46.57 26.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.615 0.968 . . . . 72.33 113.615 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.9 t -69.17 -31.06 69.45 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 118.43 0.559 . . . . 70.43 111.624 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.02 -45.38 73.1 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 121.405 0.447 . . . . 62.33 112.355 169.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.39 -33.68 71.51 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.51 1.124 . . . . 73.12 110.829 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.98 -39.02 63.97 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.685 0.794 . . . . 74.03 112.391 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.84 67.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.121 0.415 . . . . 73.35 112.121 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -88.98 -56.9 3.1 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 123.143 0.577 . . . . 73.42 112.224 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -80.8 -41.75 22.82 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.35 0.87 . . . . 75.5 113.35 -169.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.0 mp -60.45 -21.04 61.86 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.031 0.752 . . . . 74.23 113.031 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.33 -26.74 68.6 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.049 0.94 . . . . 64.35 112.427 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -114.51 -13.77 12.17 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.986 0.915 . . . . 72.05 112.382 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.534 ' SD ' HD23 ' A' ' 58' ' ' LEU . 59.0 ttm -71.14 130.72 42.21 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.345 1.058 . . . . 60.14 113.824 -167.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -83.23 167.05 18.05 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.958 0.903 . . . . 62.1 111.88 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.69 -44.2 66.13 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 124.732 1.213 . . . . 72.12 112.649 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.05 -40.08 88.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.516 1.127 . . . . 61.41 112.725 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -78.43 -31.53 48.16 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.851 0.86 . . . . 72.34 111.295 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD23 ' SD ' ' A' ' 53' ' ' MET . 77.5 mt -65.34 -45.0 85.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.46 1.104 . . . . 72.12 111.848 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.49 -29.16 68.52 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.878 0.37 . . . . 73.55 111.53 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.66 -43.24 80.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.944 -0.571 . . . . 72.44 110.498 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.419 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 58.7 t80 -62.51 -36.88 83.95 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.271 0.629 . . . . 75.12 111.617 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.7 t70 -56.94 -47.61 80.24 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.982 0.513 . . . . 75.13 110.749 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 m -54.31 -40.21 67.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.64 0.776 . . . . 74.33 111.856 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 HD22 ' A' ' 98' ' ' LEU . 32.2 tp -66.78 -34.36 77.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.001 0.92 . . . . 70.34 111.846 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 29' ' ' GLN . 38.5 mt -70.47 -27.77 64.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.648 0.779 . . . . 61.42 111.753 176.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -84.22 -3.48 58.21 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.106 0.562 . . . . 63.05 112.022 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -84.22 164.45 19.09 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.177 0.513 . . . . 64.43 110.608 173.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.76 133.23 35.62 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.057 -0.52 . . . . 71.35 110.568 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' HB3' HG12 ' A' ' 35' ' ' ILE . 7.9 m-20 -46.63 -58.7 3.58 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.066 1.506 . . . . 71.42 115.066 -172.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -59.78 -35.24 74.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.397 -0.335 . . . . 74.33 111.56 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.15 -47.26 71.56 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.148 0.579 . . . . 74.41 110.869 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 42' ' ' LEU . 72.4 mt -50.88 -47.24 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 124.447 1.099 . . . . 72.43 110.463 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.59 -38.84 84.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.031 -1.441 . . . . 71.44 111.916 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -71.16 -42.24 69.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.201 0.6 . . . . 75.13 111.449 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -63.56 -34.63 78.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.161 0.505 . . . . 73.53 110.471 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -71.14 -32.18 68.63 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.809 0.844 . . . . 60.44 112.742 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -102.04 11.92 37.66 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.613 0.765 . . . . 74.52 112.222 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 55.07 70.91 0.58 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.984 1.313 . . . . 74.32 112.492 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -140.54 102.45 4.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.806 0.842 . . . . 65.32 109.014 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.76 5.17 15.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.633 0.773 . . . . 72.21 111.733 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.65 -40.2 63.91 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.032 0.933 . . . . 71.34 110.789 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -97.38 -33.53 11.38 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.478 0.711 . . . . 72.32 111.968 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -134.98 92.9 17.92 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.286 0.634 . . . . 73.23 110.695 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.24 154.14 69.76 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.1 2.533 . . . . 72.32 112.994 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.94 123.35 66.37 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 123.148 0.579 . . . . 63.13 111.713 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 16.4 Cg_exo -70.18 153.08 67.34 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.694 2.263 . . . . 75.2 112.639 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.14 -32.59 68.3 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.032 0.933 . . . . 64.24 112.183 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 62.6 pttt -63.36 -25.43 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.527 0.731 . . . . 75.13 112.436 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.479 ' HB3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 -100.75 -26.63 13.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.192 0.597 . . . . 74.41 112.217 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.71 71.44 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.381 0.672 . . . . 74.34 112.543 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -105.27 2.12 28.7 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.434 0.694 . . . . 70.42 112.303 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -81.79 128.26 33.83 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.81 0.67 . . . . 75.42 112.81 -171.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -60.51 -38.44 84.37 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.29 1.036 . . . . 60.4 110.823 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.07 -48.25 80.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.994 0.918 . . . . 73.22 112.471 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 89' ' ' TRP . 27.9 tp -62.06 -40.16 94.85 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.806 0.442 . . . . 63.4 111.272 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.31 -49.47 76.89 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.515 0.726 . . . . 70.01 110.613 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.208 1.003 . . . . 71.31 111.711 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.44 HD22 HD21 ' A' ' 64' ' ' LEU . 35.6 tp -67.55 -44.59 77.93 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.76 0.824 . . . . 65.31 111.522 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 79.3 mt-30 -64.91 -37.57 88.07 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.575 0.75 . . . . 64.32 111.388 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.7 -35.31 79.83 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.406 0.683 . . . . 73.23 111.098 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.8 -34.75 69.65 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.518 0.327 . . . . 71.22 110.713 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.449 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 64.5 m -60.66 -32.75 71.93 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 122.746 0.419 . . . . 72.44 111.313 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.56 -33.34 60.63 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.6 -0.727 . . . . 72.22 111.576 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 124.219 1.007 . . . . 73.42 113.016 -176.437 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.103 0.478 . . . . 73.41 111.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -74.18 -29.58 61.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.297 0.639 . . . . 34.14 112.158 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.49 -53.76 11.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.954 0.902 . . . . 64.23 110.134 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 34.9 ttp-105 -55.78 -41.18 73.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.289 1.036 . . . . 73.12 111.375 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.67 95.46 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.088 0.555 . . . . 64.25 111.631 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.85 -32.47 73.01 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.255 1.022 . . . . 62.41 111.867 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 50' ' ' LEU . 93.5 mt -74.89 -44.11 50.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.945 0.498 . . . . 51.13 111.58 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.758 HG12 ' HB1' ' A' ' 46' ' ' ALA . 53.7 mt -62.51 -33.47 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 121.122 0.486 . . . . 74.41 110.587 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 123.944 0.898 . . . . 54.43 111.953 170.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 26.6 mt-30 -74.52 -17.15 60.79 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.12 0.568 . . . . 64.25 112.377 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.5 p -83.75 -26.41 29.7 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.77 0.428 . . . . 70.34 111.229 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 76.5 mtp180 -85.58 -9.65 57.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.275 0.63 . . . . 73.34 111.514 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -107.59 111.22 23.36 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.47 -0.567 . . . . 73.15 109.47 164.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.682 ' HD2' HD12 ' A' ' 42' ' ' LEU . 4.6 mmp_? -138.09 -168.26 2.32 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.283 1.033 . . . . 74.14 110.133 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.38 -44.89 3.37 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 116.091 -0.504 . . . . 74.53 112.657 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 38' ' ' THR . 42.9 pt -117.71 150.92 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.557 0.743 . . . . 74.21 110.84 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.81 -19.87 61.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.329 0.651 . . . . 72.44 112.71 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.09 -43.9 85.96 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.818 0.281 . . . . 70.32 111.48 171.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' H ' HG13 ' A' ' 35' ' ' ILE . 24.5 m -73.44 -29.79 62.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.248 0.219 . . . . 45.01 111.179 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -57.62 -58.14 9.63 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 117.851 0.296 . . . . 73.14 111.055 168.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.3 -31.75 72.39 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.432 0.693 . . . . 75.52 112.054 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -69.01 -60.24 2.49 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.256 0.623 . . . . 50.12 111.134 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 33' ' ' ARG . 40.4 mt -74.47 -33.21 62.82 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.574 0.953 . . . . 63.12 113.574 -173.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -70.54 -37.07 74.0 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 118.234 0.47 . . . . 61.23 111.557 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -41.82 89.07 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 121.438 0.465 . . . . 40.15 112.045 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -60.98 -33.63 73.51 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.449 1.1 . . . . 75.34 110.338 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.34 -40.34 64.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.465 0.706 . . . . 70.3 112.237 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.13 74.94 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.188 0.518 . . . . 62.33 112.05 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -87.87 -54.62 4.15 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.581 0.752 . . . . 65.11 112.544 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -82.59 -41.32 19.68 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.935 1.087 . . . . 71.24 113.935 -170.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -60.59 -22.1 63.36 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 119.182 0.901 . . . . 74.24 111.995 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -29.93 70.79 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 124.056 0.942 . . . . 63.01 112.068 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -118.45 -24.06 6.96 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.292 1.219 . . . . 63.1 114.292 -177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.0 mtm -71.43 148.48 46.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 112.921 0.711 . . . . 61.12 112.921 -170.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -81.85 166.93 19.52 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.656 -1.156 . . . . 72.4 111.284 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -50.22 -46.34 54.58 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.269 1.028 . . . . 75.23 112.692 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.51 -36.22 83.48 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.724 0.81 . . . . 65.55 112.81 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.08 -40.04 68.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.468 0.707 . . . . 53.22 111.34 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -60.23 -44.98 94.74 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.71 1.004 . . . . 62.41 113.71 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.86 -26.2 60.44 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.95 -0.469 . . . . 63.33 111.404 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.92 -37.33 78.87 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 120.956 0.407 . . . . 73.43 110.436 168.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 55.2 t80 -64.61 -34.31 77.97 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.391 0.676 . . . . 72.24 111.201 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 65' ' ' LEU . 53.6 t0 -56.99 -46.99 81.85 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.227 0.611 . . . . 71.04 109.96 172.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -59.33 -34.35 72.24 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.463 0.705 . . . . 72.2 112.651 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 98' ' ' LEU . 41.6 tp -67.82 -35.14 78.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.414 0.685 . . . . 71.44 111.237 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 37.5 mt -70.76 -23.19 62.37 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.855 0.862 . . . . 73.22 111.428 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -88.6 7.43 33.38 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.1 0.56 . . . . 74.11 112.103 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -92.22 171.68 8.91 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.499 0.666 . . . . 71.34 112.436 174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.34 128.91 35.1 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.945 -1.025 . . . . 63.35 110.973 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -53.34 -53.09 56.08 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.003 1.321 . . . . 72.43 114.494 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.49 -35.99 77.26 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 111.887 0.328 . . . . 73.44 111.887 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.98 -51.48 66.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.654 0.382 . . . . 73.21 110.702 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 42' ' ' LEU . 64.9 mt -50.3 -44.89 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.108 0.963 . . . . 74.11 111.283 174.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -67.88 -43.23 79.83 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.821 -1.081 . . . . 72.02 111.903 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 80' ' ' PHE . 30.9 m-85 -76.55 -28.43 56.29 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 112.933 0.716 . . . . 75.31 112.933 -177.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.615 ' HB3' HD11 ' A' ' 95' ' ' LEU . 30.6 m0 -68.52 -43.5 76.62 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 109.815 -0.439 . . . . 71.51 109.815 173.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -63.38 -52.56 61.16 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.365 1.066 . . . . 65.22 112.273 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.7 p -68.85 -16.13 63.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.363 0.665 . . . . 61.32 111.959 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 64.4 21.16 12.41 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.103 1.361 . . . . 74.03 111.256 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -76.45 -52.76 9.2 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.689 -0.856 . . . . 75.44 108.689 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 74' ' ' TYR . 97.3 m-85 65.28 -79.13 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.795 1.638 . . . . 75.22 110.563 -173.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 51.41 -74.82 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.804 2.042 . . . . 75.2 113.805 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -96.33 -24.46 16.17 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.137 0.975 . . . . 43.31 111.686 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -112.66 96.98 39.27 Favored Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.394 1.078 . . . . 70.54 110.841 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.06 169.84 20.82 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.98 2.454 . . . . 55.24 113.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -89.16 120.13 69.8 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 122.791 0.436 . . . . 64.21 111.519 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.63 166.64 28.79 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 123.215 2.61 . . . . 74.13 113.011 173.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.99 -41.11 87.32 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.97 0.908 . . . . 44.54 112.317 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -67.45 -13.97 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.601 0.761 . . . . 72.13 113.011 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -105.65 -15.85 14.85 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.398 0.679 . . . . 61.24 112.13 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.17 118.43 8.57 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 109.867 -0.419 . . . . 41.01 109.867 170.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 71.41 26.86 3.2 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 125.696 1.599 . . . . 41.21 112.501 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -80.64 130.23 34.98 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.052 0.541 . . . . 62.31 111.776 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.76 -43.78 95.38 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.116 0.566 . . . . 74.14 110.705 174.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 61' ' ' TYR . 41.7 tp -57.87 -40.5 80.36 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.291 1.036 . . . . 75.13 111.749 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 75' ' ' TRP . 47.7 tp -62.05 -48.29 80.91 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.748 -0.66 . . . . 63.54 111.244 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -58.75 -41.57 86.82 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.654 0.781 . . . . 62.51 111.498 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.52 -43.25 93.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.525 1.13 . . . . 72.25 111.584 173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 64' ' ' LEU . 37.6 tp -70.04 -36.77 75.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.062 0.945 . . . . 73.34 112.141 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.65 -49.57 62.22 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.567 0.747 . . . . 62.15 112.186 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.14 -27.63 64.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.868 0.467 . . . . 65.34 110.784 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.93 -50.74 65.26 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.801 0.441 . . . . 74.3 110.802 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.438 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.4 t -55.0 -28.48 52.3 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.472 0.709 . . . . 71.1 112.502 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.32 -44.73 71.12 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.722 0.809 . . . . 70.33 111.89 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 . . . . . 0 N--CA 1.489 1.522 0 C-N-CA 124.083 0.953 . . . . 62.12 112.82 -170.618 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 CA--C 1.558 1.283 0 CA-C-O 120.554 0.216 . . . . 74.32 111.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.35 -37.27 82.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 111.949 0.351 . . . . 75.1 111.949 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -60.3 -49.83 76.05 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 122.588 0.355 . . . . 64.24 110.996 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 58.3 ttp85 -53.7 -50.31 66.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.74 0.816 . . . . 73.42 111.395 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.83 95.4 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.097 0.559 . . . . 64.23 112.493 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.93 -42.76 97.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.47 0.708 . . . . 74.24 111.723 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -44.66 91.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.054 0.541 . . . . 72.43 111.729 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 79.3 mt -55.86 -42.81 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.904 0.482 . . . . 64.21 110.763 173.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.94 -46.46 90.61 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.218 0.607 . . . . 74.52 111.907 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.573 ' HB2' HD13 ' A' ' 65' ' ' LEU . 44.3 mt-30 -71.81 -15.52 62.15 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.427 0.691 . . . . 72.34 112.16 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.7 m -78.99 -40.31 31.87 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.061 0.944 . . . . 61.41 111.051 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 64.3 mtp180 -80.06 -14.34 58.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.126 -0.943 . . . . 65.21 110.816 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -86.78 111.2 20.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 107.352 -1.351 . . . . 62.3 107.352 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' HD3' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -154.38 150.25 27.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.919 0.39 . . . . 54.11 111.549 -172.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.66 -42.14 40.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.811 -0.632 . . . . 65.14 113.758 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' ' 69' ' ' ASP . 37.6 pt -116.27 154.25 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.842 0.457 . . . . 72.53 111.44 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.46 -24.29 60.2 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.058 0.943 . . . . 71.31 112.772 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -64.53 -53.24 51.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.371 0.605 . . . . 72.12 111.433 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.443 ' H ' HG13 ' A' ' 35' ' ' ILE . 39.1 m -72.93 -29.65 63.28 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.843 0.857 . . . . 62.21 111.319 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.52 -58.91 5.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.492 0.717 . . . . 71.2 112.041 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.61 -27.73 67.93 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.232 0.613 . . . . 74.42 111.762 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 tp -64.45 -59.68 4.05 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.831 0.852 . . . . 71.45 111.648 175.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 ' HD3' ' A' ' 33' ' ' ARG . 79.9 mt -75.59 -32.54 60.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 74.03 113.153 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -62.81 -47.11 84.85 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.031 0.532 . . . . 75.24 110.882 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.44 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 115.456 -0.793 . . . . 64.31 112.871 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.51 -41.74 97.77 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.799 0.839 . . . . 71.45 111.254 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.81 -40.13 72.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.148 0.579 . . . . 55.32 112.419 -177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.52 -25.92 64.27 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.295 0.638 . . . . 74.24 112.237 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -92.04 -54.21 3.93 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.673 0.789 . . . . 74.4 112.841 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -82.01 -46.2 14.29 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.045 1.128 . . . . 75.31 114.045 -168.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -54.63 -20.49 8.21 Favored 'General case' 0 N--CA 1.509 2.507 0 N-CA-C 113.74 1.015 . . . . 73.42 113.74 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 75.6 mmtt -55.33 -42.48 73.85 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.971 0.908 . . . . 72.03 112.45 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HD3' ' HB2' ' A' ' 51' ' ' LYS . 3.3 mppt? -113.88 -22.57 10.07 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.427 0.691 . . . . 73.25 112.619 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.6 ttp -70.25 133.56 47.15 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.476 0.71 . . . . 63.23 112.159 -170.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 m120 -70.07 160.02 32.77 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.001 1.111 . . . . 73.33 114.001 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.4 mp0 -48.79 -51.41 29.36 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 126.224 1.81 . . . . 42.05 112.061 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.63 -36.49 83.86 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.835 -1.53 . . . . 55.44 112.666 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.11 -32.22 68.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.382 0.673 . . . . 75.33 111.19 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 50' ' ' LEU . 44.7 mt -64.72 -32.37 74.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.126 0.971 . . . . 62.35 112.194 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.2 -28.81 60.14 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.025 0.53 . . . . 73.42 111.742 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.75 -34.62 75.9 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.98 -0.378 . . . . 74.11 109.98 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.8 t80 -66.64 -38.5 87.0 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.0 0.37 . . . . 63.31 112.0 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.34 -40.36 81.96 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.36 0.664 . . . . 65.02 110.8 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -58.79 -41.85 87.7 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.569 0.748 . . . . 34.03 111.718 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 98' ' ' LEU . 33.4 tp -69.09 -34.95 75.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.467 0.707 . . . . 73.2 111.613 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 29' ' ' GLN . 84.6 mt -69.98 -18.95 63.36 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.215 0.606 . . . . 74.44 111.576 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.31 -0.91 52.34 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.122 0.969 . . . . 65.33 112.212 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.04 169.37 18.31 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.341 0.657 . . . . 63.3 111.332 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.51 140.47 44.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.121 0.568 . . . . 55.41 111.35 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' ' 35' ' ' ILE . 25.2 m-20 -51.39 -69.27 0.12 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.559 1.144 . . . . 74.41 113.497 -172.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -54.34 -36.81 64.2 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.323 0.649 . . . . 71.5 112.701 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.62 -49.47 76.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.652 0.781 . . . . 63.1 111.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.32 -43.84 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 C-N-CA 123.655 0.782 . . . . 65.11 110.973 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -65.21 -46.57 80.17 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.801 -1.09 . . . . 73.51 111.72 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.04 -33.12 71.56 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.704 0.631 . . . . 74.43 112.704 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -66.84 -39.88 87.78 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.081 0.467 . . . . 70.35 110.667 174.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -70.72 -34.42 71.88 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.538 -0.756 . . . . 51.54 111.934 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.4 p -98.69 15.21 25.96 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.603 0.761 . . . . 64.14 112.606 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 tttp 67.47 4.84 3.98 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 124.197 0.999 . . . . 74.2 113.222 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -88.1 69.87 9.29 Favored 'General case' 0 CA--C 1.561 1.372 0 O-C-N 120.9 -1.125 . . . . 71.31 110.626 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -81.09 -11.43 59.49 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.756 0.822 . . . . 71.2 113.04 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -57.28 -44.27 83.86 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.381 0.673 . . . . 45.33 111.623 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -86.25 -41.81 14.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.056 -0.975 . . . . 40.45 111.852 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 m -126.63 94.93 39.05 Favored Pre-proline 0 N--CA 1.493 1.713 0 C-N-CA 123.088 0.555 . . . . 55.22 110.784 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.13 151.19 80.42 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.016 2.477 . . . . 64.12 112.98 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -82.5 119.99 75.84 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 122.659 0.384 . . . . 71.34 110.887 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.618 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.1 Cg_exo -74.26 157.89 45.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.795 2.33 . . . . 75.44 112.445 173.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.49 -31.48 70.51 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.186 0.994 . . . . 74.01 112.14 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.618 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -61.18 -26.51 67.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.092 0.957 . . . . 54.14 113.315 178.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -107.17 -10.77 15.77 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 112.671 0.619 . . . . 73.11 112.671 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.09 71.4 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.689 0.795 . . . . 50.55 113.114 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.83 4.74 21.98 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.452 0.701 . . . . 75.21 112.33 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -73.59 126.58 30.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.279 0.632 . . . . 74.4 112.663 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -52.96 -48.35 67.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.574 1.149 . . . . 64.32 111.324 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.55 -47.22 66.9 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.085 1.354 . . . . 54.43 113.789 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.51 -41.63 98.96 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.385 -0.371 . . . . 71.55 111.466 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.5 87.02 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.3 -0.409 . . . . 51.44 110.826 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.8 -42.51 93.61 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.634 0.774 . . . . 72.34 111.273 171.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 64' ' ' LEU . 42.9 tp -67.7 -39.92 84.35 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.188 0.995 . . . . 75.33 111.615 -177.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.27 -38.91 82.21 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.699 0.8 . . . . 74.34 111.49 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -61.68 -43.27 99.18 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.247 0.619 . . . . 71.31 111.12 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -69.87 -44.6 69.48 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.352 -0.385 . . . . 65.24 111.87 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.445 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 35.2 t -51.95 -50.52 61.03 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.891 0.876 . . . . 63.2 112.895 -173.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -75.21 -34.67 61.5 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 122.851 0.46 . . . . 72.2 111.679 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 74.25 112.516 -171.32 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 CA--C 1.558 1.264 0 CA-C-O 121.476 0.655 . . . . 74.12 110.726 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.61 -27.04 51.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.244 1.018 . . . . 72.42 112.83 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HZ2' HD11 ' A' ' 26' ' ' LEU . 52.7 tttm -71.9 -45.81 59.93 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.145 -0.687 . . . . 52.33 109.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HA ' HD23 ' A' ' 50' ' ' LEU . 98.7 mtt180 -57.92 -47.1 83.85 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.091 -0.959 . . . . 64.52 110.511 172.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.66 88.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.92 0.488 . . . . 71.22 111.803 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -69.52 -38.51 77.59 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.386 1.074 . . . . 74.25 112.239 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.63 HD11 ' HZ2' ' A' ' 22' ' ' LYS . 85.2 mt -72.65 -44.86 61.32 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.412 0.285 . . . . 52.24 111.104 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -61.98 -31.02 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 123.615 0.766 . . . . 74.22 111.129 173.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -63.74 -48.19 77.99 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 122.003 -0.436 . . . . 43.23 111.203 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' HD13 ' A' ' 65' ' ' LEU . 23.6 mt-30 -80.68 -6.16 58.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.63 0.604 . . . . 74.23 112.63 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 59.9 p -85.87 -28.91 24.09 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.818 0.447 . . . . 73.12 109.98 167.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -84.76 -19.36 32.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.633 -0.712 . . . . 74.41 111.764 170.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -93.85 111.06 22.7 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 106.986 -1.487 . . . . 61.12 106.986 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -148.74 169.51 20.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.51 0.724 . . . . 74.41 111.51 -163.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.86 -58.98 3.58 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.011 -0.995 . . . . 71.31 111.425 165.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' ' 69' ' ' ASP . 36.1 pt -108.01 149.25 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 122.992 0.517 . . . . 75.33 111.552 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.5 mm? -74.02 -16.83 61.04 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.876 0.695 . . . . 65.23 112.876 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.55 -46.09 64.24 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 118.268 0.486 . . . . 65.24 111.422 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . 46.8 m -70.31 -30.01 66.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.048 0.539 . . . . 45.42 110.832 174.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 3.3 t70 -54.47 -57.99 9.2 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.788 0.435 . . . . 70.41 111.024 168.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.413 0.685 . . . . 72.14 112.287 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.01 -60.31 3.18 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.724 0.81 . . . . 73.15 111.844 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 75.7 mt -75.77 -27.38 58.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.101 0.778 . . . . 50.32 113.101 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 t -64.32 -50.46 67.74 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.346 0.658 . . . . 74.32 111.166 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.39 94.67 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 115.822 -0.626 . . . . 70.42 112.852 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.77 -43.15 94.49 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.704 0.801 . . . . 64.51 110.692 176.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.707 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -66.97 -46.02 75.94 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.109 -0.95 . . . . 74.2 112.152 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.14 73.23 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.861 -0.609 . . . . 50.45 112.466 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -83.53 -54.22 5.11 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.073 0.549 . . . . 65.34 111.93 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -81.72 -41.42 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.863 1.06 . . . . 63.44 113.863 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.9 mp -59.48 -37.95 79.58 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.005 0.743 . . . . 72.12 113.005 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.86 -33.65 70.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.579 0.751 . . . . 61.25 112.296 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -99.7 -13.77 19.18 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.288 0.635 . . . . 65.32 112.168 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtm -88.37 139.97 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.445 0.64 . . . . 74.23 111.863 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -90.44 173.98 7.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.06 0.944 . . . . 73.25 109.905 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.83 -33.71 75.81 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.449 0.699 . . . . 75.53 112.401 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.15 -30.41 71.47 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.852 0.861 . . . . 73.13 112.532 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.57 -45.86 16.68 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 123.693 0.797 . . . . 65.44 111.039 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.576 HD22 ' HG ' ' A' ' 50' ' ' LEU . 20.9 mt -58.16 -27.36 63.74 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.649 1.351 . . . . 72.25 114.649 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.01 -32.02 73.55 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.16 0.437 . . . . 62.12 112.082 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.73 -37.44 65.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.066 0.46 . . . . 72.2 109.955 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.83 -31.5 71.38 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.011 -0.54 . . . . 71.52 111.651 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.07 -35.28 74.81 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 73.12 109.931 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 m -75.31 -30.12 60.23 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.451 -1.25 . . . . 41.13 112.248 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.44 -32.35 73.15 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.362 0.665 . . . . 51.21 111.876 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 29' ' ' GLN . 59.9 mt -71.02 -19.27 62.53 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.437 0.695 . . . . 60.53 112.018 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -82.62 -11.39 58.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.752 0.821 . . . . 73.0 111.663 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -84.33 168.02 16.01 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.527 0.68 . . . . 75.4 112.17 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.3 mt -81.04 128.47 33.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.02 -0.991 . . . . 63.33 111.086 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.6 m-20 -42.57 -63.54 0.76 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 114.77 1.396 . . . . 75.24 114.77 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -59.24 -36.99 76.45 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.452 0.301 . . . . 74.24 111.794 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.61 -45.83 81.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.874 0.469 . . . . 62.34 111.113 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 42' ' ' LEU . 81.6 mt -56.58 -45.34 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 123.769 0.828 . . . . 70.44 110.365 175.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.29 -42.96 99.13 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.04 -0.982 . . . . 74.23 111.565 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -74.84 -37.23 62.31 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.154 0.427 . . . . 54.21 112.154 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -62.71 -39.74 95.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.01 0.433 . . . . 55.14 109.984 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 -33.46 73.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.118 0.967 . . . . 63.34 112.977 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -93.54 5.64 50.91 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.947 0.499 . . . . 73.22 112.012 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 65.85 12.79 8.62 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.064 1.346 . . . . 75.31 112.303 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.47 64.72 6.31 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.839 0.828 . . . . 50.11 110.383 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -74.54 -12.24 60.42 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.514 0.726 . . . . 74.11 112.313 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.39 -36.83 79.0 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.978 0.911 . . . . 71.03 112.196 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.7 m -90.81 -50.76 5.72 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.359 0.664 . . . . 71.11 110.411 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 m -111.14 106.19 57.29 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 123.562 0.745 . . . . 73.42 110.978 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.45 147.23 70.69 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.524 2.149 . . . . 71.21 112.225 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -82.66 122.05 78.27 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 122.979 0.511 . . . . 72.13 111.024 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.63 160.91 46.9 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.156 2.571 . . . . 74.22 112.822 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.04 -34.63 78.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.649 0.78 . . . . 74.13 111.732 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 9.02 3.39 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.421 0.897 . . . . 74.13 113.421 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -136.2 4.73 2.97 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 123.912 0.885 . . . . 70.13 111.742 164.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.46 107.06 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.118 0.567 . . . . 72.11 111.49 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 62.4 25.88 15.44 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.631 1.172 . . . . 74.34 112.402 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -66.82 140.66 57.83 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.62 0.368 . . . . 73.2 111.085 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.57 -42.02 95.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.399 1.079 . . . . 72.11 111.523 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.1 -45.05 87.88 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.821 0.849 . . . . 73.45 112.002 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.12 -44.24 97.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.942 0.497 . . . . 73.21 111.282 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.71 -42.33 83.53 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.065 0.546 . . . . 73.42 111.378 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.28 -43.2 98.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.323 0.649 . . . . 74.44 111.735 173.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.85 -39.89 94.28 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.237 1.015 . . . . 64.41 111.878 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.01 -49.03 69.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.875 0.87 . . . . 64.31 111.481 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.35 -25.84 64.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.541 -0.754 . . . . 73.24 111.48 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -75.0 -36.72 61.95 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.694 0.398 . . . . 75.45 111.836 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -54.91 -41.56 71.11 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 122.79 0.436 . . . . 61.43 111.679 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.29 -10.07 59.73 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.186 0.81 . . . . 71.05 113.186 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.492 1.645 0 C-N-CA 123.656 0.782 . . . . 64.12 113.05 177.72 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.565 1.541 0 N-CA-C 111.806 0.298 . . . . 75.13 111.806 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -72.91 -35.84 67.16 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 122.956 0.502 . . . . 74.21 111.845 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 54.7 tptt -56.65 -49.42 75.07 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.453 0.701 . . . . 72.55 110.127 169.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.34 -45.54 92.75 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.992 1.317 . . . . 72.53 111.408 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.45 91.01 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.013 0.525 . . . . 73.13 111.774 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -58.74 -42.48 88.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.686 0.795 . . . . 75.53 111.489 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.9 mt -66.17 -51.53 56.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.886 -0.597 . . . . 72.42 111.678 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.4 mt -56.46 -33.99 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 123.221 0.609 . . . . 63.25 110.871 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.14 -49.95 70.14 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 124.29 1.036 . . . . 74.05 111.568 174.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.0 mt-30 -69.19 -19.53 63.99 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.395 0.678 . . . . 73.34 111.944 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 m -76.48 -38.89 54.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.117 0.967 . . . . 52.23 110.761 172.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.29 -9.79 59.39 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.031 0.933 . . . . 62.53 112.214 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 5.1 mptp? -108.7 110.68 22.16 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.027 -0.731 . . . . 75.01 109.027 169.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.98 148.28 27.54 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.49 0.716 . . . . 70.32 110.675 -178.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.54 -16.26 80.47 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-N 116.565 -0.289 . . . . 72.55 113.596 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.14 130.36 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.674 0.79 . . . . 72.53 109.917 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.9 -38.11 87.87 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.318 0.647 . . . . 34.44 112.094 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -60.71 -48.41 81.91 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.817 0.447 . . . . 71.22 111.356 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -69.24 -32.06 71.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 73.01 111.747 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.03 -56.3 18.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.657 0.783 . . . . 75.34 110.736 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.43 -29.81 69.39 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.477 0.711 . . . . 72.2 111.571 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.1 -59.47 5.29 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.831 0.852 . . . . 50.41 111.276 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.85 -37.49 73.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.916 0.487 . . . . 64.04 112.04 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.2 m -63.64 -45.16 91.49 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.27 0.628 . . . . 72.12 111.824 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.18 98.47 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 116.386 -0.37 . . . . 71.13 112.584 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.57 -35.66 81.24 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.141 0.977 . . . . 64.03 110.813 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.84 -45.6 57.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.287 0.635 . . . . 60.32 112.374 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.16 65.55 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.931 -0.577 . . . . 64.04 112.132 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -91.75 -55.07 3.61 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.043 0.937 . . . . 75.24 113.235 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -81.17 -38.04 27.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.374 0.879 . . . . 72.21 113.374 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -60.21 -21.84 62.26 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.939 0.718 . . . . 65.1 112.939 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.5 mmpt? -54.25 -43.41 70.92 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 70.2 112.947 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -114.3 -7.56 12.93 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.798 0.666 . . . . 54.34 112.798 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.429 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 37.8 mtm -73.73 137.05 43.77 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.57 0.7 . . . . 75.25 112.382 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.2 173.22 11.63 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 114.63 -1.168 . . . . 72.14 111.878 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -50.81 -43.88 58.93 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.985 1.314 . . . . 72.53 111.923 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.9 -36.77 78.44 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.167 -0.924 . . . . 75.41 111.774 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 29.5 mm-40 -66.8 -48.75 68.02 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.557 0.694 . . . . 43.22 110.507 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' A' ' 50' ' ' LEU . 8.8 mt -56.37 -41.41 76.15 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.38 1.252 . . . . 55.32 114.38 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.09 -28.16 57.45 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 122.103 -0.373 . . . . 72.32 111.903 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -67.47 -38.26 84.13 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.304 0.573 . . . . 73.02 109.475 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.73 -34.25 76.48 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.591 0.757 . . . . 71.24 111.925 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 -48.09 81.7 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.407 0.683 . . . . 74.41 109.703 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 m -57.62 -36.69 72.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.83 0.852 . . . . 54.43 112.345 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 98' ' ' LEU . 39.3 tp -67.25 -35.66 80.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.355 0.662 . . . . 74.13 111.404 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 29' ' ' GLN . 65.3 mt -74.62 -16.35 60.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.431 0.692 . . . . 71.33 112.141 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -90.4 1.97 56.08 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.086 0.554 . . . . 73.3 111.758 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -86.77 171.14 11.13 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.552 0.691 . . . . 72.13 112.245 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.98 121.63 20.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.082 -0.963 . . . . 74.15 110.531 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -47.05 -57.56 4.92 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 114.575 1.324 . . . . 74.52 114.575 -174.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -45.3 74.32 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.015 0.825 . . . . 74.43 112.303 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.13 -41.21 92.17 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.432 0.693 . . . . 73.01 111.451 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.84 -43.66 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 123.831 0.852 . . . . 74.31 111.524 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -68.1 -38.54 82.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.007 0.523 . . . . 65.13 111.502 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -72.54 -27.84 62.48 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.948 0.499 . . . . 65.45 112.012 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HA ' ' CE1' ' A' ' 80' ' ' PHE . 36.7 m0 -79.06 -36.2 41.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.138 0.575 . . . . 74.53 110.971 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -63.29 -34.86 78.6 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.673 0.789 . . . . 50.34 111.641 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.3 -172.6 2.46 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.38 -0.827 . . . . 74.42 109.843 172.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -103.78 34.14 3.12 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.666 0.746 . . . . 73.41 110.661 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.43 48.59 1.23 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.225 1.01 . . . . 70.02 110.834 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 93.5 m-85 -76.59 16.4 0.5 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.784 0.834 . . . . 73.22 113.003 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -74.98 -65.2 0.9 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.66 0.784 . . . . 74.02 110.944 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 t -76.61 -33.23 58.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.18 0.592 . . . . 74.31 112.323 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 m -125.91 91.37 48.4 Favored Pre-proline 0 N--CA 1.487 1.403 0 C-N-CA 123.119 0.568 . . . . 65.52 109.92 172.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -71.49 161.75 44.46 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.396 2.064 . . . . 73.34 112.684 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 86' ' ' PRO . 23.2 tp -81.39 123.89 80.85 Favored Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 115.866 -0.606 . . . . 64.11 111.47 -173.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' A' ' 85' ' ' LEU . 84.3 Cg_endo -80.71 163.17 21.26 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.962 2.441 . . . . 75.1 111.999 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.84 -31.15 71.38 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.93 0.892 . . . . 70.11 112.549 -175.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -65.47 -24.91 67.28 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.952 0.901 . . . . 73.32 113.006 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -117.37 4.14 12.54 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.042 0.537 . . . . 74.21 112.161 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.64 101.89 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.762 0.425 . . . . 73.32 110.836 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 66.13 32.66 8.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.862 1.265 . . . . 62.12 111.98 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 t -61.1 135.75 57.86 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.907 -0.588 . . . . 75.0 111.044 172.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.16 -49.03 79.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.952 0.901 . . . . 73.32 110.618 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.16 -48.95 67.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.059 0.943 . . . . 70.15 112.202 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.53 -42.99 84.01 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.708 -0.678 . . . . 75.34 111.698 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.59 -37.38 85.98 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.759 0.423 . . . . 73.5 111.696 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -64.71 -37.15 86.6 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.143 0.577 . . . . 73.22 111.723 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.409 HD22 HD21 ' A' ' 64' ' ' LEU . 42.1 tp -71.74 -36.14 70.35 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.057 0.943 . . . . 72.44 111.651 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 97.7 mt-30 -69.0 -41.69 77.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.041 0.936 . . . . 63.41 111.497 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.18 -38.06 89.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 53.45 110.859 172.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -64.92 -44.22 90.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.044 0.538 . . . . 73.3 111.6 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.3 m -52.82 -42.58 65.26 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.179 0.592 . . . . 72.51 111.974 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.55 -51.01 70.35 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.568 0.747 . . . . 72.02 111.191 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.482 1.161 0 C-N-CA 123.966 0.906 . . . . 71.5 112.986 -170.475 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 111.995 0.368 . . . . 73.52 111.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -61.94 -43.23 99.28 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.367 0.506 . . . . 70.31 112.367 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttpt -60.87 -46.27 91.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.29 0.236 . . . . 51.35 111.142 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -49.65 -48.64 49.2 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.825 0.85 . . . . 75.42 111.516 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.62 95.75 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.911 -0.586 . . . . 51.2 112.278 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.89 -33.6 74.5 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.931 0.892 . . . . 74.12 112.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 92.7 mt -71.19 -49.39 44.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.965 0.506 . . . . 42.3 111.338 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.695 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.7 mt -60.85 -31.96 50.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 CA-C-N 115.307 -0.861 . . . . 73.34 110.73 174.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -61.52 -46.7 88.86 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.831 0.853 . . . . 74.32 111.534 171.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 48.2 mt-30 -69.37 -22.62 63.71 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 112.681 0.623 . . . . 74.31 112.681 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.0 p -75.88 -12.91 60.24 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.242 0.217 . . . . 54.33 111.186 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.71 -16.8 37.83 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.627 0.771 . . . . 62.1 112.342 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -106.88 111.94 24.68 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.917 -0.771 . . . . 72.23 108.917 172.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.602 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.39 154.64 37.04 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.491 1.117 . . . . 74.13 109.169 -177.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.44 73.29 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 113.736 0.254 . . . . 71.13 113.736 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.608 HD12 ' HB2' ' A' ' 37' ' ' GLU . 20.5 pt -137.61 154.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.838 0.855 . . . . 70.11 112.051 -175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 32.5 tp -72.76 -24.93 61.02 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.438 0.695 . . . . 53.51 111.69 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.608 ' HB2' HD12 ' A' ' 35' ' ' ILE . 28.4 mm-40 -55.22 -54.61 41.17 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.177 0.591 . . . . 74.51 111.803 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -75.27 -30.6 60.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.417 0.687 . . . . 72.45 112.103 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 20.2 t70 -60.22 -49.87 75.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.058 0.543 . . . . 65.31 111.503 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.32 -36.51 80.35 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.705 0.802 . . . . 74.43 111.448 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -64.16 -55.52 21.23 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 115.202 -0.908 . . . . 55.45 111.628 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 72' ' ' ILE . 67.8 mt -74.98 -36.75 62.02 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.183 0.808 . . . . 65.12 113.183 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 m -68.09 -40.38 82.67 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.774 0.43 . . . . 70.31 111.425 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.08 88.63 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 116.408 -0.36 . . . . 65.01 112.557 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.76 -33.69 74.52 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.112 0.965 . . . . 74.43 110.585 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.757 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.81 -41.58 64.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.457 0.703 . . . . 61.04 111.884 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.45 58.73 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.689 -0.687 . . . . 44.44 112.555 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.26 -57.73 2.42 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.711 0.634 . . . . 43.32 112.711 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -82.76 -40.64 20.21 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.369 1.248 . . . . 75.42 114.369 -167.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.7 mp -57.29 -22.18 39.94 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 113.574 0.953 . . . . 60.22 113.574 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.61 -40.89 98.38 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.979 0.912 . . . . 63.4 111.106 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -105.11 -10.4 17.17 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 124.137 0.975 . . . . 72.11 112.748 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.649 ' SD ' HD23 ' A' ' 58' ' ' LEU . 51.0 ttm -74.73 143.08 44.28 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.336 1.054 . . . . 74.33 112.648 -172.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.91 158.61 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.41 0.684 . . . . 74.11 112.333 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.75 -49.69 57.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.064 1.346 . . . . 53.13 112.572 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.94 -41.71 99.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.851 -1.068 . . . . 61.24 112.384 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.481 0.712 . . . . 72.22 111.628 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.649 HD23 ' SD ' ' A' ' 53' ' ' MET . 82.1 mt -62.15 -37.55 85.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.488 0.715 . . . . 74.24 111.346 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.26 -27.98 61.0 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.843 0.457 . . . . 64.0 111.787 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.88 -39.47 83.69 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 116.28 -0.418 . . . . 51.24 110.216 171.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.41 -35.25 79.83 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.345 0.658 . . . . 74.54 110.84 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 65' ' ' LEU . 15.2 t70 -59.45 -43.06 93.24 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.076 0.551 . . . . 71.02 109.999 173.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -59.86 -38.74 83.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.473 0.709 . . . . 64.12 111.599 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.01 -33.36 75.64 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.501 0.72 . . . . 61.21 111.063 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 41.8 mt -73.8 -21.11 60.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.826 0.85 . . . . 60.1 111.697 174.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.21 -1.02 57.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.314 0.646 . . . . 73.34 111.819 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.14 158.94 17.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.121 0.569 . . . . 72.11 111.358 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.39 133.61 42.46 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.553 0.741 . . . . 72.24 110.224 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.602 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.4 p30 -46.25 -52.56 12.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.408 1.262 . . . . 60.52 114.408 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -52.05 -46.84 65.23 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.242 0.46 . . . . 72.52 112.242 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 9.4 m-20 -56.78 -54.92 40.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.17 0.588 . . . . 73.43 111.214 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 42' ' ' LEU . 60.7 mt -51.44 -44.63 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 124.458 1.103 . . . . 60.2 112.065 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.16 -44.07 66.26 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.56 -0.746 . . . . 71.21 111.602 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -75.7 -20.62 58.25 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.949 0.722 . . . . 73.3 112.949 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 44.1 m0 -71.84 -46.79 56.84 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.021 0.439 . . . . 73.31 110.147 170.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.72 -49.59 75.84 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.018 -0.992 . . . . 54.02 111.674 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.7 p -76.09 1.95 14.21 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.617 0.767 . . . . 75.44 112.56 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 64.99 25.69 12.69 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.671 1.188 . . . . 74.04 112.298 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.51 -72.75 0.14 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.028 0.931 . . . . 74.31 110.525 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 63.88 1.55 1.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.8 1.24 . . . . 73.12 113.938 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -79.17 -59.09 2.91 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.909 0.883 . . . . 74.2 110.65 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 t -87.38 -33.14 19.23 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 115.323 -0.853 . . . . 70.3 111.826 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.6 m -122.5 93.31 48.56 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.438 0.695 . . . . 62.22 110.237 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.23 162.47 41.68 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.19 2.593 . . . . 53.25 113.22 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 tp -92.32 123.31 62.72 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.017 0.527 . . . . 74.2 111.976 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 6.8 Cg_exo -75.65 159.4 39.04 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.896 2.397 . . . . 72.23 112.839 170.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -28.24 69.57 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.266 1.026 . . . . 71.41 112.723 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.8 ptmt -56.7 -41.31 77.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.073 0.949 . . . . 73.2 112.438 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -96.34 -18.3 20.06 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.395 0.517 . . . . 75.31 112.395 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.7 59.71 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.832 0.853 . . . . 74.34 113.137 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -111.71 5.75 19.4 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.932 0.893 . . . . 71.15 112.473 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.3 t -81.77 129.13 34.63 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.452 0.701 . . . . 73.55 111.34 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 47.1 mtpt -69.67 -37.54 76.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.775 0.43 . . . . 60.01 111.191 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 tp -49.83 -45.77 50.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.078 0.951 . . . . 72.4 111.53 177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 75' ' ' TRP . 21.6 tp -59.59 -46.17 89.73 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.807 -1.088 . . . . 71.42 111.767 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.0 -29.0 65.97 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.64 0.776 . . . . 63.31 111.889 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 15.8 mm-40 -72.5 -34.62 67.76 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.561 0.744 . . . . 52.11 110.679 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.97 -36.97 78.49 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.109 0.964 . . . . 75.35 111.189 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.65 -35.08 79.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.735 0.814 . . . . 74.2 111.699 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -62.38 -55.74 25.04 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.847 -0.615 . . . . 55.02 109.757 168.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.18 -35.97 74.51 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.912 0.708 . . . . 74.44 112.912 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 85.1 p -55.93 -37.94 69.63 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.229 0.612 . . . . 70.33 112.562 175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.67 -36.51 28.7 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.289 0.636 . . . . 72.54 110.991 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 123.517 0.727 . . . . 72.3 112.387 -175.563 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 . . . . . 0 CA--C 1.558 1.256 0 CA-C-O 120.652 0.263 . . . . 54.54 111.096 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -75.5 -47.35 27.42 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 122.937 0.495 . . . . 72.14 112.264 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -69.18 -47.42 64.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.624 0.602 . . . . 72.05 112.624 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -54.61 -51.13 66.32 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 117.814 0.279 . . . . 73.03 111.575 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.66 78.69 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.96 0.504 . . . . 64.23 111.966 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -65.08 -41.35 95.12 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.651 0.781 . . . . 70.2 111.911 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.96 -40.39 72.0 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.788 0.435 . . . . 75.02 111.976 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.537 HG12 ' HB1' ' A' ' 46' ' ' ALA . 65.2 mt -59.63 -32.83 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.703 0.763 . . . . 65.41 110.927 173.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.98 -41.84 58.74 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.159 1.384 . . . . 64.41 112.475 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.56 -19.13 58.22 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 123.503 0.721 . . . . 40.53 111.847 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.675 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 92.4 p -81.77 -37.66 26.83 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.609 0.719 . . . . 35.5 110.634 173.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.27 -16.67 58.88 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.006 -1.452 . . . . 74.13 110.704 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -83.54 113.49 20.84 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.142 -1.059 . . . . 70.14 108.142 161.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -152.08 171.02 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.792 0.437 . . . . 63.43 110.397 -166.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.49 -83.16 0.55 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 121.546 -0.359 . . . . 73.23 112.493 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 38' ' ' THR . 44.3 pt -78.08 155.63 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 N-CA-C 112.434 0.531 . . . . 74.41 112.434 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.34 -24.22 60.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.109 0.964 . . . . 72.0 112.345 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' ILE . 6.0 mm-40 -62.36 -51.95 65.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.999 0.519 . . . . 73.34 111.981 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' H ' HG13 ' A' ' 35' ' ' ILE . 7.4 m -74.69 -29.2 61.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.881 0.472 . . . . 40.12 111.681 176.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.46 -59.79 4.22 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.762 0.825 . . . . 73.54 111.208 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.55 -34.21 77.72 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.669 0.788 . . . . 53.24 111.648 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.05 -57.96 10.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.768 0.827 . . . . 75.02 111.108 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 62.3 mt -74.33 -28.7 61.27 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.971 0.73 . . . . 64.15 112.971 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -64.78 -52.21 58.1 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 122.825 0.45 . . . . 74.31 111.376 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.71 -38.99 95.05 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 115.971 -0.559 . . . . 71.14 112.97 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.21 -41.87 89.63 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.016 0.927 . . . . 73.34 111.003 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -68.7 -47.81 65.45 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.271 -0.877 . . . . 72.14 112.406 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.91 68.7 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.196 0.598 . . . . 70.12 112.204 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -90.16 -55.24 3.69 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.652 0.781 . . . . 73.21 112.312 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.38 -45.79 21.55 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.563 0.745 . . . . 74.11 112.875 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -59.7 -25.71 65.01 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 113.042 0.756 . . . . 73.43 113.042 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -55.68 -32.09 62.96 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.284 1.034 . . . . 64.31 112.053 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -119.9 -9.11 9.73 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.0 0.92 . . . . 73.33 112.346 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.535 ' SD ' HD23 ' A' ' 58' ' ' LEU . 52.9 ttm -71.08 137.05 48.59 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.005 0.922 . . . . 50.31 112.318 -174.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.0 m120 -73.78 159.43 32.93 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.863 0.865 . . . . 74.41 112.756 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.0 mp0 -50.16 -41.8 49.82 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.689 1.596 . . . . 73.25 112.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.67 -48.75 71.05 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 114.965 -1.016 . . . . 74.22 111.033 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.3 -31.34 70.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.721 -1.127 . . . . 61.25 111.897 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 ' SD ' ' A' ' 53' ' ' MET . 96.4 mt -59.55 -36.0 75.31 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.864 0.866 . . . . 74.14 112.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.46 -29.76 62.74 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.616 0.767 . . . . 52.23 111.275 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -69.72 -40.0 76.52 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.324 0.65 . . . . 60.12 110.208 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.458 ' HD1' HD11 ' A' ' 94' ' ' LEU . 47.0 t80 -61.46 -40.83 95.92 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.459 0.704 . . . . 74.12 111.889 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.47 -40.86 72.17 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.63 0.772 . . . . 64.04 111.525 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.7 m -58.17 -38.85 77.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.315 1.046 . . . . 51.32 112.398 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.41 -30.41 69.31 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.639 0.776 . . . . 74.11 111.855 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 14.2 mt -75.01 -15.38 60.66 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.198 0.599 . . . . 70.13 112.093 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.45 4.82 52.91 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.639 0.776 . . . . 71.35 111.676 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.81 166.66 13.41 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.756 0.822 . . . . 70.35 111.445 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.77 134.77 37.0 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.594 0.358 . . . . 51.13 110.89 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 3.3 p-10 -50.11 -54.14 22.6 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.656 1.182 . . . . 72.03 113.885 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -56.64 -39.14 73.16 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.608 0.595 . . . . 75.12 112.608 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -66.73 -52.03 49.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.931 0.493 . . . . 64.22 110.944 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 42' ' ' LEU . 66.3 mt -51.8 -41.93 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 124.286 1.035 . . . . 75.33 110.897 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.16 -47.73 81.44 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.991 -1.004 . . . . 75.25 111.734 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 83' ' ' SER . 21.8 m-85 -76.87 -12.35 59.95 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.213 0.82 . . . . 74.43 113.213 -176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.481 ' HB3' HD11 ' A' ' 95' ' ' LEU . 28.6 m0 -88.1 -34.66 17.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.652 0.381 . . . . 74.0 110.886 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -53.54 19.51 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.15 0.58 . . . . 41.02 110.962 173.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 p -79.89 170.97 15.74 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.254 -0.885 . . . . 52.52 109.623 170.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -96.14 39.68 1.14 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 75.43 112.186 -169.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -110.68 51.22 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 54.31 110.821 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -67.45 -13.26 61.88 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.89 0.876 . . . . 62.34 112.369 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -32.71 65.2 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.349 1.06 . . . . 74.14 112.912 173.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -92.44 -56.58 2.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.921 0.391 . . . . 43.43 110.243 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 57.9 m -105.58 100.92 29.26 Favored Pre-proline 0 N--CA 1.483 1.224 0 C-N-CA 123.163 0.585 . . . . 53.44 110.726 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.67 144.23 71.21 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.371 2.047 . . . . 51.22 111.664 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.3 tp -78.49 118.65 73.6 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 122.595 0.358 . . . . 64.23 110.647 -176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.623 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.5 Cg_exo -75.97 166.83 27.29 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.201 2.6 . . . . 63.13 112.94 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.61 -36.99 72.52 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.146 0.979 . . . . 74.04 112.249 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.623 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.2 ptmt -62.06 -25.36 67.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.013 0.925 . . . . 62.3 113.374 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -112.82 -9.75 13.64 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.448 0.536 . . . . 61.12 112.448 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.59 72.32 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 112.851 0.685 . . . . 71.21 112.851 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -114.27 7.33 16.44 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.29 0.636 . . . . 73.53 112.006 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -84.05 130.35 34.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.289 0.566 . . . . 55.12 112.491 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -65.56 -38.69 90.28 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.097 0.959 . . . . 74.12 111.223 174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.458 HD11 ' HD1' ' A' ' 61' ' ' TYR . 52.5 tp -51.98 -41.17 61.94 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.352 1.061 . . . . 75.22 113.149 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 75' ' ' TRP . 52.2 tp -61.11 -43.28 99.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.302 0.641 . . . . 74.43 111.487 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -68.16 -34.02 75.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.803 0.841 . . . . 73.51 110.737 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.03 -40.94 99.22 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.953 0.901 . . . . 63.13 111.091 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.53 -33.05 64.54 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.546 0.738 . . . . 72.32 111.698 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -72.25 -42.15 65.97 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.387 0.675 . . . . 73.11 112.579 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.21 -32.49 72.75 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 117.844 0.293 . . . . 61.33 110.571 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -65.95 -46.64 77.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.248 0.619 . . . . 73.25 110.908 172.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -56.39 -23.84 40.73 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.41 0.684 . . . . 55.1 111.603 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -79.45 -69.81 0.55 Allowed 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 115.798 -0.637 . . . . 74.35 110.776 167.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.4 HD22 ' N ' ' A' ' 104' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 C-N-CA 124.25 1.02 . . . . 71.55 113.73 -166.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 CA--C 1.554 1.102 0 N-CA-C 112.489 0.551 . . . . 61.33 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -71.15 -38.48 72.22 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.146 0.425 . . . . 64.43 112.146 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.97 -54.06 49.6 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.74 0.305 . . . . 71.13 110.873 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 25.9 ttp180 -55.72 -50.22 70.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.904 0.882 . . . . 72.33 111.874 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.98 95.75 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.034 0.533 . . . . 62.51 111.729 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 35.3 ttm180 -62.02 -45.33 94.08 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.924 0.89 . . . . 75.44 112.139 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 50' ' ' LEU . 86.5 mt -70.91 -42.59 69.72 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 122.677 0.391 . . . . 64.23 111.774 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.562 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.0 mt -61.23 -34.5 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 C-N-CA 123.097 0.559 . . . . 73.32 111.001 171.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 88.6 t80 -64.87 -46.81 80.27 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.274 0.63 . . . . 53.12 110.937 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HB2' HD13 ' A' ' 65' ' ' LEU . 44.2 mt-30 -78.81 -10.35 59.76 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.814 0.672 . . . . 64.22 112.814 -177.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.436 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 89.2 p -85.87 -28.53 24.33 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.232 0.539 . . . . 71.42 109.96 166.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -80.93 -13.04 59.26 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 73.4 110.942 173.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -103.45 115.11 29.92 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 107.654 -1.239 . . . . 74.33 107.654 166.338 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.58 151.4 31.5 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 122.14 -0.35 . . . . 63.04 111.481 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -44.42 97.33 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 123.408 0.442 . . . . 54.03 113.877 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 pt -118.34 151.75 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 74.24 111.394 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.05 -27.6 63.77 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 124.181 0.992 . . . . 74.34 111.825 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 -52.32 64.12 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.062 0.545 . . . . 71.45 111.849 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 73' ' ' TYR . 16.8 m -73.11 -28.01 62.02 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.232 0.613 . . . . 74.14 111.447 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.41 -58.91 5.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.156 0.983 . . . . 73.31 111.322 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.1 -33.34 75.27 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.233 0.613 . . . . 61.52 111.943 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.39 -55.43 34.91 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.933 0.893 . . . . 74.02 111.592 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 76.3 mt -74.23 -35.19 63.86 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.427 -0.806 . . . . 75.01 112.443 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -68.7 -41.98 78.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.218 0.451 . . . . 65.32 112.218 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.34 93.95 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 112.124 -0.39 . . . . 14.04 112.124 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -59.29 -41.11 88.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.105 0.962 . . . . 73.53 111.021 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.49 -44.5 67.56 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.623 0.769 . . . . 74.54 112.687 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.55 69.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.258 0.623 . . . . 74.31 112.412 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -90.38 -55.07 3.74 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.785 0.834 . . . . 72.22 112.574 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -78.77 -40.73 32.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.17 0.804 . . . . 75.24 113.17 -170.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.8 mp -62.58 -24.49 67.58 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 112.486 0.551 . . . . 64.11 112.486 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.89 -35.84 73.69 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.656 0.783 . . . . 75.41 111.76 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -116.62 -11.45 11.04 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.729 1.011 . . . . 65.52 113.729 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.1 mtm -77.89 140.59 39.33 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.533 0.606 . . . . 73.33 111.828 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.66 160.91 31.47 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.175 0.99 . . . . 71.44 109.09 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 39.0 tt0 -50.55 -42.05 54.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.049 0.94 . . . . 71.4 112.17 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.34 -42.44 73.85 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.241 1.016 . . . . 75.54 113.084 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -74.91 -34.45 62.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.561 0.744 . . . . 71.41 110.871 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -63.45 -31.09 72.15 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.61 -0.723 . . . . 44.14 112.509 170.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -67.66 -37.96 83.11 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.85 0.46 . . . . 50.14 110.541 174.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HG3' HD22 ' A' ' 94' ' ' LEU . 5.5 tp10 -66.0 -37.1 85.07 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.357 -0.838 . . . . 64.4 111.049 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.22 -32.59 74.34 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.479 0.312 . . . . 72.14 111.771 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.87 -38.39 82.06 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.238 0.615 . . . . 51.3 110.771 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -59.89 -37.81 80.44 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.815 0.846 . . . . 61.43 111.696 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.84 -34.91 77.64 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.525 0.73 . . . . 72.13 111.17 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' GLN . 77.1 mt -73.3 -21.74 60.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.293 0.637 . . . . 72.34 111.625 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.55 -7.41 58.47 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.554 0.742 . . . . 64.15 112.025 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -88.96 177.28 6.71 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.431 0.692 . . . . 72.2 110.895 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 mt -92.59 137.87 31.99 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.493 0.717 . . . . 65.44 111.122 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -48.25 -55.05 11.53 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.998 1.11 . . . . 34.14 113.998 -176.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.68 -43.57 93.95 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 112.345 0.498 . . . . 54.24 112.345 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.131 0.572 . . . . 71.22 111.445 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.1 -43.06 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 124.205 1.002 . . . . 61.11 111.219 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 74.8 t80 -59.89 -45.81 91.32 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.224 1.01 . . . . 74.43 111.394 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.2 -23.15 51.48 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.84 0.681 . . . . 75.51 112.84 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.528 ' HB3' HD11 ' A' ' 95' ' ' LEU . 35.0 m0 -77.33 -40.4 44.32 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.878 0.371 . . . . 75.54 110.841 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.51 65.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.657 0.783 . . . . 51.25 111.644 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.4 p -74.81 -2.31 26.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.477 0.711 . . . . 72.01 112.679 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttm 64.24 30.63 13.46 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.869 1.268 . . . . 60.12 111.943 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.37 -71.73 0.19 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.529 0.732 . . . . 34.42 110.589 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.14 -12.96 0.22 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.983 1.475 . . . . 62.25 114.983 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -59.94 -54.66 43.49 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.786 1.234 . . . . 54.51 111.377 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -82.98 -38.65 22.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.383 -0.826 . . . . 73.24 110.877 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 m -128.79 91.62 42.57 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 114.695 -1.139 . . . . 51.54 110.246 -174.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -62.31 162.56 23.2 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.276 2.651 . . . . 54.34 113.619 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -92.28 125.53 56.05 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 123.495 0.718 . . . . 75.54 112.379 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.41 152.09 79.35 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 123.404 2.736 . . . . 72.12 112.891 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.52 -38.86 88.92 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.77 0.828 . . . . 61.44 112.774 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -70.1 -9.13 54.5 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 112.871 0.693 . . . . 72.01 112.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HB3' HD22 ' A' ' 95' ' ' LEU . 11.7 m95 -100.87 -33.38 10.24 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.079 0.4 . . . . 73.23 112.079 170.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.71 66.47 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.287 0.635 . . . . 73.41 112.585 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.56 18.27 22.15 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.506 0.722 . . . . 72.43 111.915 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.4 t -93.05 133.77 35.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.392 0.677 . . . . 54.02 110.858 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -69.69 -36.88 76.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.648 0.379 . . . . 64.24 110.838 174.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 60' ' ' GLU . 39.8 tp -54.72 -45.11 74.02 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.719 0.808 . . . . 64.22 111.855 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 89' ' ' TRP . 26.3 tp -60.42 -43.92 96.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.847 -0.615 . . . . 72.31 111.261 176.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.41 -33.51 76.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.138 0.575 . . . . 73.41 111.69 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.08 -34.37 68.63 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.552 0.741 . . . . 72.25 110.917 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.05 -34.11 72.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.625 0.77 . . . . 74.45 110.603 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -69.4 -39.99 77.6 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.962 0.905 . . . . 72.5 111.161 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -57.74 -52.4 65.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.443 0.697 . . . . 73.21 111.013 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -64.56 -47.0 80.38 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.97 -0.559 . . . . 73.21 111.754 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -59.73 -38.52 81.94 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.857 0.688 . . . . 74.23 112.857 -173.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.42 -32.29 37.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.328 0.251 . . . . 75.32 111.492 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 N--CA 1.493 1.682 0 C-N-CA 123.807 0.843 . . . . 74.24 111.95 -176.828 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 111.668 0.247 . . . . 74.54 111.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -71.79 -29.49 64.52 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 119.059 -0.496 . . . . 74.12 112.126 173.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.6 -47.07 76.93 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 118.17 0.441 . . . . 52.32 110.039 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 14.1 ttp180 -56.1 -48.57 75.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.918 0.887 . . . . 65.04 111.156 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.341 0.656 . . . . 73.42 112.02 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -66.66 -38.13 86.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.906 0.882 . . . . 64.34 111.911 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 65' ' ' LEU . 95.6 mt -72.72 -37.87 67.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.875 0.47 . . . . 73.12 111.26 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG13 HD22 ' A' ' 50' ' ' LEU . 69.7 mt -63.09 -31.9 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 122.837 0.455 . . . . 74.33 110.772 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -69.98 -46.51 65.05 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.497 0.719 . . . . 74.02 111.528 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 65' ' ' LEU . 28.7 mt-30 -66.49 -31.28 71.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.431 0.692 . . . . 72.11 111.648 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 82.7 p -72.27 -44.64 62.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.329 0.652 . . . . 72.53 111.724 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -78.61 -0.9 31.68 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.505 -0.77 . . . . 71.0 111.994 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -110.66 110.04 20.55 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.421 -0.955 . . . . 75.02 108.421 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -149.65 -157.84 0.86 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.346 1.058 . . . . 75.24 109.991 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.18 2.88 10.6 Favored Glycine 0 N--CA 1.479 1.54 0 N-CA-C 114.193 0.437 . . . . 52.33 114.193 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 pt -146.71 120.66 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.032 0.933 . . . . 74.21 110.058 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.4 tp -55.22 -27.8 48.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.232 0.827 . . . . 50.34 113.232 -171.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.31 -52.1 63.32 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.78 0.432 . . . . 71.01 111.672 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 m -74.21 -31.44 62.63 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.78 0.432 . . . . 74.11 111.799 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.95 -54.79 38.21 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.875 0.47 . . . . 72.45 111.04 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.17 -33.61 70.17 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.17 0.588 . . . . 72.34 112.225 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.1 -58.46 8.54 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 123.461 0.704 . . . . 73.45 111.024 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 85.4 mt -74.31 -28.95 61.4 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.259 0.624 . . . . 74.24 112.601 -177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 t -64.83 -53.15 51.36 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.394 0.543 . . . . 61.44 111.164 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.95 98.33 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.45 -0.795 . . . . 71.11 112.591 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.95 -44.64 96.33 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.574 0.75 . . . . 75.32 111.183 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.0 -47.23 63.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.777 0.658 . . . . 72.03 112.777 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.1 68.46 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.951 0.501 . . . . 73.43 112.192 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -90.6 -54.86 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.408 1.083 . . . . 71.14 111.541 -177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -81.3 -42.82 20.04 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.237 1.015 . . . . 74.54 113.732 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.712 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.4 mp -59.09 -26.83 65.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.65 1.114 . . . . 75.35 112.1 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.27 -31.08 69.35 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.436 1.094 . . . . 71.13 111.987 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -27.51 16.5 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.714 0.635 . . . . 71.1 112.714 171.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.455 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 66.1 mtm -79.84 144.96 33.03 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.078 0.77 . . . . 65.32 113.078 -170.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 30.3 p30 -90.06 179.7 5.88 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.683 0.793 . . . . 72.12 111.405 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.42 -45.88 46.87 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.495 1.118 . . . . 74.32 112.53 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.12 -37.26 85.29 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.462 1.105 . . . . 62.12 112.05 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 39.3 mt-10 -75.8 -39.26 57.2 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.241 0.617 . . . . 52.43 111.811 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.712 HD22 ' HG ' ' A' ' 50' ' ' LEU . 14.0 mt -59.6 -39.72 85.13 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 113.148 0.796 . . . . 72.53 113.148 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.28 -28.46 59.78 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.112 -0.368 . . . . 71.0 111.477 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -65.09 -38.61 91.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 109.428 -0.582 . . . . 70.1 109.428 169.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.71 -35.19 74.82 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.491 0.716 . . . . 74.25 112.26 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.93 -39.9 82.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.179 0.592 . . . . 74.5 110.437 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -61.86 -36.88 82.54 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.609 -0.723 . . . . 71.05 111.716 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 98' ' ' LEU . 39.6 tp -70.64 -31.55 68.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.276 0.63 . . . . 74.35 111.178 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 86.7 mt -73.23 -25.66 60.82 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.598 0.359 . . . . 61.03 111.495 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -78.26 -4.1 46.17 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.263 0.625 . . . . 62.11 111.61 171.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -87.31 173.27 9.27 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.596 0.712 . . . . 53.31 112.346 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.0 mt -82.91 135.81 34.79 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.645 -1.161 . . . . 65.1 112.315 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.84 -64.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 125.742 1.617 . . . . 74.34 113.858 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -64.61 -39.61 94.02 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 112.854 0.687 . . . . 75.23 112.854 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.25 -43.04 99.74 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.964 0.505 . . . . 73.44 111.303 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.29 -44.83 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 C-N-CA 123.766 0.826 . . . . 60.04 111.411 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -65.07 -40.05 94.14 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.626 -0.715 . . . . 74.1 111.547 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.63 -25.85 59.5 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.525 0.565 . . . . 73.12 112.525 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.7 m0 -80.32 -34.68 36.52 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.576 0.35 . . . . 75.11 110.796 174.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.437 0.695 . . . . 64.22 111.155 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.2 p -90.54 -172.23 3.34 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.139 -0.937 . . . . 75.01 109.838 170.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -102.22 31.75 3.83 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.611 -0.68 . . . . 73.43 111.299 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.43 41.16 1.04 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.077 0.951 . . . . 72.15 111.287 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.49 -17.04 63.57 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.793 0.837 . . . . 63.4 111.844 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.75 -47.41 86.45 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.668 0.787 . . . . 73.53 110.744 167.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.45 -48.47 40.69 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.524 0.73 . . . . 55.24 111.31 -175.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -128.93 116.66 19.13 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 123.365 0.666 . . . . 75.25 110.129 174.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.6 145.55 58.43 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.481 2.121 . . . . 74.04 112.572 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.2 123.31 84.79 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 123.044 0.537 . . . . 72.44 111.717 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.11 149.23 76.51 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.001 2.467 . . . . 63.4 112.384 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.71 -33.32 73.82 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.917 0.887 . . . . 74.04 112.759 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -29.46 65.31 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.769 0.828 . . . . 64.34 112.966 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.93 -24.57 14.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.995 0.518 . . . . 72.53 111.434 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.96 63.6 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.69 0.796 . . . . 42.54 112.631 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.16 7.17 15.28 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.853 0.861 . . . . 65.21 112.549 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 p -90.73 135.13 33.92 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.801 0.441 . . . . 70.32 111.367 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -70.17 -37.03 75.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 122.903 0.481 . . . . 74.13 111.203 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.15 -44.49 67.84 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.966 0.906 . . . . 65.04 112.402 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 75' ' ' TRP . 37.6 tp -55.54 -45.51 77.2 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.759 -0.655 . . . . 73.13 111.512 176.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -67.17 -34.05 76.71 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.867 -0.606 . . . . 75.43 111.114 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.27 -37.42 85.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.74 . . . . 64.23 111.329 173.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 64' ' ' LEU . 45.0 tp -67.5 -39.87 85.16 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.943 0.897 . . . . 74.1 110.699 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.54 -43.37 90.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.231 1.012 . . . . 64.12 111.652 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.48 -49.89 74.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.965 0.506 . . . . 72.22 110.53 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.71 -36.16 80.13 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.367 0.267 . . . . 70.03 111.531 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 t -56.18 -42.31 76.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.046 0.538 . . . . 64.24 112.079 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.96 -29.04 35.44 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.709 0.262 . . . . 63.23 111.709 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 112.642 0.608 . . . . 72.32 112.642 -179.521 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 112.124 0.416 . . . . 75.44 112.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.04 -44.76 88.02 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.989 0.516 . . . . 61.54 112.192 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 81.5 tttt -61.35 -50.43 72.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.827 0.451 . . . . 75.42 111.094 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -57.07 -48.36 78.76 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.698 0.799 . . . . 72.3 111.395 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.44 79.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.214 0.606 . . . . 74.24 111.638 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -67.61 -40.46 84.71 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.775 0.83 . . . . 71.22 112.33 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.63 HD12 HD22 ' A' ' 58' ' ' LEU . 31.0 mt -72.73 -40.72 65.86 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 122.104 -0.373 . . . . 74.3 111.525 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.666 HG12 ' HB1' ' A' ' 46' ' ' ALA . 82.0 mt -58.47 -39.45 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 123.919 0.887 . . . . 60.42 110.687 171.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -60.8 -55.5 32.34 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.127 0.971 . . . . 72.42 111.72 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.633 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.3 mt-30 -68.27 -24.04 64.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.747 0.819 . . . . 64.11 113.101 -174.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 93.7 p -73.02 -29.47 63.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.912 0.386 . . . . 74.15 111.061 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 67.9 mtp180 -85.13 -19.93 31.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.736 -0.666 . . . . 72.15 111.682 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -86.15 106.58 17.37 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.906 -1.146 . . . . 74.52 107.906 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' A' ' 69' ' ' ASP . 12.7 mmm180 -145.87 171.75 14.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.472 0.709 . . . . 74.43 110.254 -173.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.81 -47.33 56.12 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 115.668 -0.696 . . . . 75.32 112.408 169.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.9 pt -109.27 139.17 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-O 121.502 0.668 . . . . 75.23 112.096 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -11.87 60.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.987 0.915 . . . . 74.43 112.072 173.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 35' ' ' ILE . 18.0 mm-40 -57.66 -50.51 72.94 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.411 0.685 . . . . 71.51 110.677 172.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.6 m -72.66 -28.19 62.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.797 0.839 . . . . 72.23 111.857 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -48.69 69.41 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.886 0.474 . . . . 73.5 110.872 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -58.21 -34.1 70.03 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.349 0.66 . . . . 74.12 112.483 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -72.56 -59.41 2.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.367 0.667 . . . . 74.11 111.793 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 67.6 mt -74.98 -25.19 58.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.992 0.917 . . . . 71.33 113.397 -172.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 t -65.2 -52.19 56.32 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 122.956 0.502 . . . . 71.31 111.49 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.26 94.74 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.999 -0.546 . . . . 71.24 113.073 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.75 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.68 0.792 . . . . 72.12 111.501 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -72.17 -45.96 58.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.976 0.511 . . . . 64.23 112.369 -175.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.08 72.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.221 0.608 . . . . 74.34 112.106 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -87.19 -54.99 4.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.779 0.832 . . . . 74.14 112.285 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.81 -49.95 16.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.127 0.571 . . . . 64.54 112.172 -173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 27' ' ' ILE . 9.2 mp -60.89 -23.96 65.61 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 113.072 0.767 . . . . 71.11 113.072 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -55.76 -33.46 64.33 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.453 0.701 . . . . 75.13 111.607 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -121.81 -1.51 9.42 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.096 0.958 . . . . 62.02 112.496 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD23 ' A' ' 58' ' ' LEU . 53.1 ttm -76.91 138.76 39.92 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.725 0.81 . . . . 72.13 112.486 -174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.52 165.94 13.5 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.188 0.995 . . . . 73.13 110.821 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 20.3 mt-10 -59.42 -36.47 75.94 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.558 0.948 . . . . 54.13 113.558 -173.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.4 pt-20 -54.91 -44.95 74.64 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.959 0.904 . . . . 62.44 112.05 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 26.3 mt-10 -76.21 -32.99 59.25 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.85 0.86 . . . . 75.41 111.107 176.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.63 HD22 HD12 ' A' ' 26' ' ' LEU . 88.5 mt -63.74 -29.24 70.48 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.958 0.903 . . . . 62.43 112.591 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 71.2 mm-40 -64.96 -44.15 90.34 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.67 0.747 . . . . 63.22 110.44 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -71.12 -33.45 70.13 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.027 -0.988 . . . . 74.41 110.64 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 46' ' ' ALA . 71.5 t80 -68.01 -35.13 77.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.172 0.589 . . . . 71.34 111.77 174.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.99 -42.79 99.94 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.69 0.396 . . . . 61.54 110.084 174.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -57.42 -31.96 66.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.588 0.755 . . . . 44.35 112.056 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.0 tp -70.46 -35.46 73.34 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.395 0.678 . . . . 73.23 111.429 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 29' ' ' GLN . 20.8 mt -65.19 -33.19 75.42 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.394 0.678 . . . . 72.12 110.329 175.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.44 HD22 ' N ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.143 0.977 . . . . 74.53 112.465 178.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.73 175.53 9.86 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.58 0.752 . . . . 71.23 111.948 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.03 135.85 36.06 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.753 0.421 . . . . 74.33 110.821 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' ' HE ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -52.83 -47.51 67.66 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.089 1.356 . . . . 62.01 114.492 -172.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -53.84 -49.22 68.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.862 0.465 . . . . 70.1 111.943 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.35 -44.27 92.0 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.504 0.721 . . . . 61.34 111.482 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.2 mt -52.04 -46.67 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 124.058 0.943 . . . . 71.01 111.188 175.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -68.49 -38.82 81.33 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.421 -0.809 . . . . 74.12 112.08 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -73.11 -23.41 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.499 0.555 . . . . 75.13 112.499 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -83.18 -34.45 25.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.029 0.532 . . . . 64.32 110.774 173.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.68 77.84 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.428 0.691 . . . . 34.52 112.021 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -97.44 175.91 6.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.84 0.856 . . . . 32.4 109.829 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -89.0 65.21 7.43 Favored 'General case' 0 CA--C 1.559 1.294 0 O-C-N 121.802 -0.561 . . . . 53.54 109.616 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -127.84 41.32 3.53 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.402 1.081 . . . . 51.24 109.638 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.38 -26.38 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.146 0.979 . . . . 72.5 112.457 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -20.85 59.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.286 0.235 . . . . 65.4 111.624 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -79.61 -54.48 5.84 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 70.33 109.354 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.5 m -124.19 107.38 30.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 123.821 0.848 . . . . 72.1 109.479 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.09 135.64 60.08 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.068 2.512 . . . . 74.14 113.014 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.73 123.87 89.75 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 122.841 0.456 . . . . 51.24 110.932 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.83 162.34 14.07 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.457 2.105 . . . . 73.32 112.165 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.28 -34.12 71.9 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.889 0.876 . . . . 75.32 112.826 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.68 63.52 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.694 0.798 . . . . 73.0 112.749 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -106.29 -23.3 12.59 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.207 0.817 . . . . 74.1 113.207 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.26 68.97 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.85 0.86 . . . . 52.11 112.536 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.702 HD22 ' H ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -98.6 0.67 45.31 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.044 0.938 . . . . 72.42 113.425 179.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -73.67 137.99 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.425 0.898 . . . . 74.11 113.425 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 11.3 mmpt? -65.29 -48.75 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.502 -0.772 . . . . 72.24 110.031 170.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 19.1 tp -53.88 -43.5 69.64 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.18 1.392 . . . . 75.43 113.456 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' TRP . 26.0 tp -59.93 -43.93 94.65 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.333 -0.394 . . . . 64.11 111.768 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -70.95 -30.91 67.33 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.273 -0.421 . . . . 73.24 111.333 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 75.1 mm-40 -60.9 -46.83 89.09 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.186 0.517 . . . . 74.2 109.827 169.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.42 -38.91 81.67 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.691 1.196 . . . . 70.45 112.213 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -66.88 -50.81 61.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.559 0.744 . . . . 74.54 112.301 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.2 -24.05 61.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.111 -0.495 . . . . 64.43 111.553 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -74.08 -46.44 42.98 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.83 0.452 . . . . 73.34 111.34 169.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -57.38 -50.99 71.21 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.756 0.823 . . . . 70.32 112.347 -173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.06 -22.57 63.06 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 62.43 112.848 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 113.172 0.804 . . . . 74.33 113.172 -177.105 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.554 1.1 0 CA-C-O 120.511 0.196 . . . . 72.14 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -72.36 -25.33 61.48 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.135 0.42 . . . . 74.03 112.135 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 33.4 ttmt -65.05 -51.52 61.05 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.844 0.293 . . . . 75.52 110.454 172.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.497 ' HA ' HD23 ' A' ' 50' ' ' LEU . 30.5 mtm180 -51.22 -52.02 48.48 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.674 0.609 . . . . 71.42 111.5 173.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.01 80.96 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.283 0.633 . . . . 43.33 111.951 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -64.91 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.662 1.185 . . . . 62.31 112.54 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.8 mt -79.45 -41.97 26.39 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 122.04 -0.412 . . . . 61.3 111.897 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.732 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.4 mt -59.95 -28.8 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.801 0.81 . . . . 64.13 110.942 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.83 -48.02 60.57 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.312 1.045 . . . . 74.44 111.812 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' HD13 ' A' ' 65' ' ' LEU . 42.7 mt-30 -75.77 -24.1 55.99 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 112.171 0.434 . . . . 75.55 112.171 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 94.6 p -68.73 -36.01 77.85 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.909 0.484 . . . . 54.22 111.88 -178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.54 -1.28 55.6 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 115.615 -0.72 . . . . 73.11 112.31 177.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -83.3 110.69 18.32 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.392 -0.966 . . . . 71.51 108.392 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' NE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -150.9 152.77 34.13 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.287 0.635 . . . . 74.43 111.783 -170.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.45 -25.56 60.89 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.021 -0.536 . . . . 64.03 112.948 171.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -129.33 153.19 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 123.865 0.866 . . . . 61.25 112.002 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 tp -72.11 -27.45 62.64 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.688 -0.687 . . . . 70.54 111.732 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 35' ' ' ILE . 43.3 mm-40 -56.64 -52.71 63.84 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.398 0.518 . . . . 63.15 112.398 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -74.4 -27.76 60.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.914 0.486 . . . . 62.25 111.917 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.29 -51.25 70.75 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.656 0.382 . . . . 72.31 111.433 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.5 -28.76 69.53 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.678 0.791 . . . . 64.43 111.547 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.9 tp -72.33 -60.7 2.1 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.878 0.871 . . . . 62.1 111.767 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.696 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 66.9 mt -75.99 -39.19 56.38 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.755 1.02 . . . . 74.43 113.755 -171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.9 t -63.15 -44.86 94.35 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 118.241 0.473 . . . . 64.43 111.438 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.4 77.45 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 116.152 -0.476 . . . . 71.21 113.318 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.19 -39.63 79.44 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.774 0.83 . . . . 70.44 110.646 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.29 -37.01 74.73 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.115 -0.948 . . . . 61.11 112.021 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.55 -25.14 61.26 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.841 0.682 . . . . 75.24 112.841 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -92.81 -55.75 3.25 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 112.732 0.642 . . . . 62.54 112.732 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.99 -47.18 12.99 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.99 1.107 . . . . 74.43 113.99 -167.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.3 mp -54.58 -32.55 58.78 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.528 0.936 . . . . 75.33 113.528 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -55.89 -33.38 64.58 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 74.43 112.549 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -119.22 -0.51 11.01 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.79 0.836 . . . . 64.34 112.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.545 ' SD ' HD23 ' A' ' 58' ' ' LEU . 49.0 ttm -74.99 140.13 43.41 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.68 0.792 . . . . 73.42 111.993 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -80.53 161.83 24.62 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.454 0.702 . . . . 71.24 111.478 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 43.7 tt0 -61.21 -27.68 68.61 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.471 0.708 . . . . 74.13 111.74 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -54.45 -50.12 68.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.185 0.994 . . . . 74.2 111.922 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.8 -29.29 40.27 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.234 0.827 . . . . 64.03 113.234 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD23 ' SD ' ' A' ' 53' ' ' MET . 86.8 mt -63.45 -37.45 87.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 119.179 0.9 . . . . 71.25 112.263 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.87 -31.39 68.06 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 120.739 0.305 . . . . 75.55 111.079 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.82 -36.62 67.56 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.512 0.725 . . . . 75.42 110.763 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 57.5 t80 -69.27 -37.03 77.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.69 0.796 . . . . 74.3 110.869 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.74 -37.86 83.2 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.795 -0.639 . . . . 63.23 110.564 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -64.21 -38.03 89.61 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.539 0.736 . . . . 64.21 111.804 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.79 -28.61 69.14 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.761 0.825 . . . . 73.02 111.2 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.9 mt -78.37 -0.57 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.413 0.685 . . . . 73.42 112.517 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -107.81 9.18 28.99 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.527 0.731 . . . . 60.11 111.903 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -85.46 -163.06 0.79 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.172 0.589 . . . . 71.13 110.567 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -110.83 137.95 47.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.522 0.729 . . . . 74.45 110.37 172.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.581 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -45.95 -54.33 8.47 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.857 1.058 . . . . 74.43 113.857 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.94 -47.61 67.95 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.582 0.586 . . . . 72.02 112.582 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.96 -48.21 74.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.525 0.33 . . . . 63.42 111.264 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.03 -42.73 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 123.992 0.917 . . . . 62.05 111.219 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -65.75 -42.82 90.47 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.077 -0.965 . . . . 71.12 111.711 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -74.57 -26.72 60.13 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.216 0.45 . . . . 65.13 112.216 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.499 ' HB3' HD11 ' A' ' 95' ' ' LEU . 38.5 m0 -72.05 -44.02 64.0 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.879 0.371 . . . . 60.12 110.606 174.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -51.59 51.17 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.814 0.845 . . . . 30.35 112.856 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.9 p -72.19 -10.78 60.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.902 0.481 . . . . 75.53 112.296 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HE2' ' A' ' 80' ' ' PHE . 11.3 tmtt? 62.88 57.81 1.63 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.618 1.167 . . . . 75.14 109.208 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -134.93 65.79 1.55 Allowed 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 114.024 -1.444 . . . . 65.53 108.661 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HE2' ' HG2' ' A' ' 78' ' ' LYS . 67.6 m-85 -80.95 17.91 1.12 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.082 -0.963 . . . . 74.21 113.058 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -23.76 54.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.668 0.988 . . . . 73.31 113.668 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -131.45 -30.02 1.72 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.633 0.773 . . . . 73.23 111.449 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 95.41 49.12 Favored Pre-proline 0 N--CA 1.489 1.478 0 C-N-CA 123.43 0.692 . . . . 65.14 111.017 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.0 168.44 20.55 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.16 2.573 . . . . 62.3 113.359 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 26.7 tp -89.59 121.46 69.14 Favored Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 123.246 0.618 . . . . 70.03 111.725 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 15.3 Cg_exo -72.28 174.13 11.97 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.681 2.921 . . . . 55.01 113.767 174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.11 -48.03 66.59 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.236 1.014 . . . . 70.53 113.037 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -67.62 -16.14 64.01 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.549 0.944 . . . . 71.14 113.549 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -100.85 -17.51 16.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.858 0.463 . . . . 73.21 111.355 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.96 111.21 2.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.03 0.532 . . . . 40.32 110.056 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 69.81 23.86 5.51 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.206 1.403 . . . . 54.03 112.722 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -81.19 129.64 34.67 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.875 0.47 . . . . 71.14 109.893 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 26.0 ttpp -67.61 -38.31 83.78 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 119.208 -0.425 . . . . 65.41 111.005 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.9 tp -52.1 -42.48 63.28 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.986 0.914 . . . . 51.31 111.729 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 75' ' ' TRP . 62.6 tp -57.85 -50.76 72.23 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.892 -1.049 . . . . 52.34 111.42 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -65.79 -31.45 72.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.936 0.494 . . . . 73.2 112.088 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 13.2 mm100 -61.75 -43.34 99.05 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.598 0.713 . . . . 73.4 109.888 171.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -71.43 -34.93 70.73 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.909 1.284 . . . . 73.34 111.742 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.35 -43.1 78.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.012 0.925 . . . . 75.54 111.439 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -65.09 -38.49 90.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.952 0.501 . . . . 74.01 110.858 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.96 -40.81 96.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.636 0.375 . . . . 70.01 111.553 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.8 t -58.4 -29.1 65.79 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.05 0.54 . . . . 74.51 112.105 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.44 -13.45 60.39 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.696 0.798 . . . . 74.35 112.156 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 124.315 1.046 . . . . 52.32 112.019 178.666 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.507 0.194 . . . . 74.12 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -64.85 -39.7 93.98 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 116.515 -0.311 . . . . 73.31 111.391 175.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -64.46 -40.96 96.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.516 0.726 . . . . 64.35 111.406 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 47.3 ttp180 -56.16 -49.06 75.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.604 0.762 . . . . 72.14 111.024 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.93 95.95 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.97 -0.559 . . . . 51.1 111.969 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -64.19 -36.55 84.41 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.258 1.023 . . . . 63.23 111.976 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HB2' HD21 ' A' ' 50' ' ' LEU . 69.6 mt -73.16 -43.21 61.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.53 0.332 . . . . 65.3 111.681 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 50' ' ' LEU . 65.4 mt -60.32 -37.03 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.252 0.548 . . . . 53.34 110.209 173.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -61.33 -48.76 79.86 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.078 0.951 . . . . 74.12 111.454 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -69.62 -19.08 63.64 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.774 0.829 . . . . 70.52 112.43 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 m -76.46 -33.46 58.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.434 0.693 . . . . 71.11 110.561 172.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -82.39 -14.88 54.49 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.08 0.952 . . . . 70.55 111.584 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -85.98 110.7 19.65 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.513 -0.921 . . . . 63.31 108.513 166.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.33 -178.09 6.04 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 74.5 109.699 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.33 -18.43 5.81 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.079 -0.51 . . . . 34.41 112.857 168.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.78 133.77 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 124.039 0.936 . . . . 65.25 111.174 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.23 -33.99 77.07 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.122 0.969 . . . . 60.13 112.472 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -60.21 -46.11 90.87 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.229 0.538 . . . . 73.24 111.166 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -73.75 -31.93 63.59 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.714 -0.675 . . . . 71.4 111.752 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.57 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 34.8 t70 -65.34 -53.92 36.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.226 1.01 . . . . 64.0 111.437 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.33 -40.85 75.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.941 0.896 . . . . 71.02 111.428 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -58.94 5.18 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.971 0.908 . . . . 70.2 112.523 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 33' ' ' ARG . 76.3 mt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 112.886 0.699 . . . . 74.22 112.886 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.3 m -64.87 -42.64 94.67 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.375 0.27 . . . . 72.42 111.652 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.98 80.96 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 116.22 -0.445 . . . . 35.31 112.749 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -60.78 -39.34 88.49 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.736 0.814 . . . . 71.41 110.612 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.16 -39.15 78.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.401 0.68 . . . . 75.41 112.118 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.86 92.65 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.617 -0.72 . . . . 64.04 111.943 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.84 -55.92 3.73 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.391 0.676 . . . . 73.33 112.644 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.77 -31.74 46.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.379 1.251 . . . . 71.43 114.379 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.7 mp -64.51 -19.89 65.87 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.822 0.737 . . . . 74.31 112.534 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.72 -37.02 70.68 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 122.942 0.497 . . . . 70.41 112.047 172.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -92.09 -24.86 19.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.543 0.942 . . . . 64.52 113.543 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.8 mtm -84.28 141.13 31.17 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.24 0.83 . . . . 73.22 113.24 -171.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -86.99 167.22 14.44 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.393 1.077 . . . . 74.32 109.348 171.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.57 -31.92 62.57 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.459 0.704 . . . . 72.4 112.659 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -52.88 -47.59 67.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 123.638 0.775 . . . . 73.05 112.089 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 30.4 mt-10 -78.02 -34.32 50.7 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.269 1.027 . . . . 71.42 111.23 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' HG ' ' A' ' 50' ' ' LEU . 35.9 mt -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.236 1.014 . . . . 74.55 113.642 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -75.38 -29.84 59.96 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.644 0.377 . . . . 74.42 111.121 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -68.63 -35.43 77.27 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.294 0.569 . . . . 72.52 109.579 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.4 t80 -68.3 -36.26 79.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.181 0.592 . . . . 72.31 111.571 176.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.88 -37.97 86.56 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.792 0.437 . . . . 62.21 110.187 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 58.6 m -64.84 -30.07 71.06 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.685 0.794 . . . . 71.44 112.103 173.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD21 HD22 ' A' ' 98' ' ' LEU . 45.9 tp -75.45 -37.32 60.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.326 0.65 . . . . 63.3 111.244 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 71.1 mt -68.09 -28.24 67.17 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.79 0.805 . . . . 74.05 110.303 173.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.63 -20.1 64.45 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.92 1.288 . . . . 72.24 111.999 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 63' ' ' SER . 19.8 mm-40 -80.0 172.74 13.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 113.761 1.022 . . . . 75.43 113.761 -175.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.69 126.25 30.68 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.22 -1.355 . . . . 74.31 111.347 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.91 -66.73 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 115.09 1.515 . . . . 63.23 115.09 -171.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -53.71 -40.5 66.1 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.063 0.392 . . . . 73.13 111.625 -177.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 -42.91 93.86 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.761 -0.654 . . . . 72.01 110.957 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 42' ' ' LEU . 75.1 mt -53.59 -45.47 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 C-N-CA 123.918 0.887 . . . . 64.25 111.073 174.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -66.89 -40.83 87.88 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.225 -0.898 . . . . 74.43 111.917 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -76.68 -29.06 56.18 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.465 0.543 . . . . 70.22 112.465 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -75.22 -32.38 61.13 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.959 0.504 . . . . 74.42 110.742 173.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.57 76.1 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.431 0.692 . . . . 71.41 111.821 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -95.83 172.76 7.82 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.271 0.628 . . . . 75.24 110.675 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -89.9 69.37 7.48 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 108.069 -1.086 . . . . 73.13 108.069 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -147.8 77.93 1.44 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.956 0.884 . . . . 73.34 109.918 -175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -103.72 0.4 30.48 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 115.338 -0.847 . . . . 64.33 112.164 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 -18.87 60.87 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.046 0.538 . . . . 72.03 112.124 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -106.75 -35.2 7.05 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.774 0.83 . . . . 64.42 111.551 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.8 m -130.88 97.12 21.1 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 123.63 0.772 . . . . 64.52 110.142 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.77 146.82 96.37 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.046 2.497 . . . . 64.13 112.454 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 28.0 tp -84.17 117.51 68.88 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 122.873 0.469 . . . . 72.53 111.034 -177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.534 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 5.7 Cg_exo -76.68 163.78 31.16 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.079 2.519 . . . . 75.11 111.932 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.7 -38.05 71.76 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.833 0.853 . . . . 72.51 112.181 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -59.44 -28.46 66.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.232 1.013 . . . . 75.21 113.652 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -114.44 -4.87 12.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 122.079 -0.388 . . . . 73.11 111.951 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.32 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.801 0.841 . . . . 73.34 112.493 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -121.75 12.23 10.58 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.969 0.908 . . . . 74.02 111.808 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -77.37 119.39 20.93 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.226 0.611 . . . . 74.42 111.771 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.65 -32.33 70.94 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.245 0.34 . . . . 70.23 110.857 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.04 -43.35 81.89 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.487 0.715 . . . . 63.14 111.534 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.61 -39.85 95.41 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.843 -0.617 . . . . 74.14 111.085 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.36 -37.73 88.39 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.011 0.524 . . . . 54.54 110.897 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -64.11 -38.63 91.74 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.989 0.916 . . . . 62.02 111.056 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 64' ' ' LEU . 35.9 tp -69.7 -33.67 72.84 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.309 1.044 . . . . 75.33 111.067 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.46 -41.33 69.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.858 0.863 . . . . 74.22 111.422 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.85 -40.62 95.96 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.544 0.738 . . . . 64.3 111.179 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -69.06 -49.61 55.85 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.893 -0.594 . . . . 74.54 111.356 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -56.59 -40.29 75.01 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.701 0.801 . . . . 71.11 112.748 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.74 -29.79 51.3 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.116 0.566 . . . . 73.02 111.898 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 N--CA 1.492 1.626 0 C-N-CA 123.377 0.671 . . . . 70.12 112.024 179.298 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 CA--C 1.557 1.247 0 N-CA-C 111.605 0.224 . . . . 74.11 111.605 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -74.69 -30.26 61.5 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.62 0.368 . . . . 75.4 111.64 173.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' HE3' HD11 ' A' ' 26' ' ' LEU . 35.3 tttp -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.919 0.487 . . . . 71.35 110.267 170.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -52.81 -50.74 63.06 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.604 1.162 . . . . 63.12 111.428 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.56 84.97 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.273 0.629 . . . . 53.32 112.134 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -71.41 -33.35 69.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.263 0.625 . . . . 73.24 112.029 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' HE3' ' A' ' 22' ' ' LYS . 93.4 mt -66.0 -45.36 81.87 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.408 -0.182 . . . . 63.34 110.519 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.542 HG12 ' HB1' ' A' ' 46' ' ' ALA . 70.8 mt -56.94 -39.05 62.89 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 123.709 0.804 . . . . 71.33 111.116 173.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -65.17 -39.07 92.42 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.525 1.13 . . . . 74.11 112.118 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.7 mt-30 -79.95 -16.38 55.37 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.884 0.874 . . . . 71.23 111.77 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -72.75 -35.99 67.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.818 0.847 . . . . 74.44 109.983 169.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -80.16 -10.32 59.76 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.765 -1.107 . . . . 51.42 112.59 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 59.7 mttm -101.73 112.74 25.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.023 -0.732 . . . . 63.34 109.023 167.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -150.74 158.83 44.61 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.558 0.743 . . . . 74.3 110.54 -173.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.9 -31.34 69.9 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 116.455 -0.339 . . . . 75.15 113.322 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 37' ' ' GLU . 41.8 pt -130.84 151.62 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.29 0.636 . . . . 71.22 111.893 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.8 -19.43 60.76 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.965 0.906 . . . . 74.01 112.722 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.6 mp0 -64.64 -52.78 55.6 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.204 0.602 . . . . 75.13 110.651 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.6 m -73.26 -28.79 62.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.354 0.662 . . . . 73.1 111.257 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.04 -48.59 75.72 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.703 0.401 . . . . 74.43 111.319 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.82 -40.09 83.13 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.147 0.579 . . . . 72.14 111.689 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.73 -58.39 7.64 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.35 1.06 . . . . 72.23 112.012 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.73 -37.2 59.58 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.828 1.047 . . . . 74.12 113.828 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 m -65.31 -42.26 93.21 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 118.284 0.493 . . . . 70.42 111.717 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -41.03 84.36 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 116.556 -0.293 . . . . 72.43 112.5 173.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -62.04 -35.27 78.1 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.039 0.936 . . . . 74.44 110.63 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -74.16 -40.56 62.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.239 0.616 . . . . 71.55 111.822 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.62 87.71 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 116.221 -0.445 . . . . 61.23 111.934 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -82.36 -55.5 4.47 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.559 0.744 . . . . 65.55 112.59 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -78.12 -49.6 13.6 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 118.796 -0.621 . . . . 72.25 112.528 -171.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.9 mp -60.75 -22.54 64.14 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.562 0.949 . . . . 71.04 113.562 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -64.1 -33.37 75.61 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 122.367 0.267 . . . . 72.21 111.556 174.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.27 12.06 12.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.598 0.759 . . . . 72.14 112.284 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 58' ' ' LEU . 55.6 ttm -83.61 133.32 34.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.436 0.694 . . . . 74.14 111.293 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -74.91 160.82 30.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.776 0.43 . . . . 74.21 111.748 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.86 -39.49 77.92 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.465 1.106 . . . . 62.53 111.656 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.8 -41.7 95.59 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.147 0.979 . . . . 72.11 112.585 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.37 -33.53 73.2 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.21 111.65 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.607 HD23 ' SD ' ' A' ' 53' ' ' MET . 84.6 mt -58.42 -29.22 65.94 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.058 0.943 . . . . 72.1 112.394 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.93 -36.98 72.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.451 0.7 . . . . 73.25 112.165 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.93 -38.21 72.9 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.053 0.454 . . . . 74.3 110.529 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -68.84 -33.52 73.96 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.095 -0.502 . . . . 62.04 111.37 175.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.87 -44.94 86.95 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.878 0.871 . . . . 72.4 109.353 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m -57.25 -43.92 83.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.939 0.896 . . . . 34.32 112.225 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.38 -31.67 72.37 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.97 0.908 . . . . 72.12 111.852 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 29' ' ' GLN . 91.5 mt -75.12 -15.5 60.59 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 113.007 0.744 . . . . 65.24 113.007 178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -88.11 -14.85 37.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.911 0.484 . . . . 62.4 111.675 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.78 157.41 28.46 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.862 0.465 . . . . 52.32 112.179 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.62 124.48 23.37 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.742 0.817 . . . . 73.32 110.203 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.3 p30 -46.33 -56.22 6.15 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.655 1.182 . . . . 74.51 113.966 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -50.89 -47.37 60.62 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.204 0.602 . . . . 75.21 112.205 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.42 -49.06 78.65 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.59 0.756 . . . . 70.32 111.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -54.59 -40.01 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 123.878 0.871 . . . . 73.24 111.185 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.63 -43.23 69.66 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.645 -0.707 . . . . 72.14 111.544 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -66.4 -34.54 78.19 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.288 0.635 . . . . 73.31 112.236 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.501 ' HB3' HD11 ' A' ' 95' ' ' LEU . 34.5 m0 -70.5 -40.43 73.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.754 0.422 . . . . 74.42 110.741 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.89 69.99 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.493 0.717 . . . . 74.53 112.401 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.19 -1.82 44.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.594 0.757 . . . . 75.0 112.154 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 65.85 14.51 9.6 Favored 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 125.201 1.4 . . . . 64.23 112.403 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.49 84.58 6.78 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.576 0.751 . . . . 72.14 110.036 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -91.13 14.65 13.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.212 0.605 . . . . 74.43 112.304 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -56.99 -46.97 81.88 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.407 1.083 . . . . 53.53 112.422 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t -109.44 -26.39 10.02 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.155 0.582 . . . . 74.45 112.419 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -124.44 95.76 42.6 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 123.455 0.702 . . . . 75.03 110.443 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.67 160.6 35.69 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.26 2.64 . . . . 64.14 113.359 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 86' ' ' PRO . 34.3 tp -91.85 123.21 63.83 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 122.797 0.439 . . . . 74.33 111.465 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.612 ' HD2' HD12 ' A' ' 85' ' ' LEU . 86.5 Cg_endo -81.58 157.96 19.12 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 123.03 2.487 . . . . 64.13 112.543 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 -33.03 70.79 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.188 0.995 . . . . 62.45 113.1 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -56.33 -39.1 72.27 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.77 0.828 . . . . 61.3 112.073 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HB3' HD22 ' A' ' 95' ' ' LEU . 83.4 m95 -97.4 -26.39 14.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.856 0.463 . . . . 74.21 111.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.62 89.0 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.274 0.559 . . . . 75.13 111.668 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.7 11.82 38.74 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.615 0.766 . . . . 73.5 112.385 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.3 p -92.69 139.82 30.17 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.675 0.39 . . . . 64.5 110.898 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -70.87 -36.51 72.84 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.669 0.788 . . . . 74.14 111.382 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.39 -45.94 87.34 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.22 1.008 . . . . 75.24 112.735 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.793 ' HG ' HE22 ' A' ' 99' ' ' GLN . 40.0 tp -58.75 -43.75 90.34 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.047 0.451 . . . . 73.23 110.88 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.14 -27.43 66.44 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.793 0.437 . . . . 74.34 111.456 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.72 -36.07 82.57 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.437 0.695 . . . . 73.5 111.337 167.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.27 -43.49 77.66 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.257 1.023 . . . . 65.52 112.425 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.793 HE22 ' HG ' ' A' ' 95' ' ' LEU . 1.4 mp0 -63.49 -46.76 84.65 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.169 0.433 . . . . 54.23 112.169 176.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.25 -24.15 63.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 111.631 0.234 . . . . 72.43 111.631 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.14 -39.85 65.37 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.578 0.351 . . . . 75.11 110.941 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.8 t -57.15 -30.79 64.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.581 0.752 . . . . 72.12 111.427 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -66.14 -49.87 65.96 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.715 0.806 . . . . 74.33 110.738 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 104' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 C-N-CA 124.381 1.072 . . . . 71.12 112.876 -176.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.666 0.617 . . . . 75.21 112.666 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -66.83 -41.56 87.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 119.429 -0.319 . . . . 73.55 111.103 171.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.1 ttpt -58.16 -53.44 58.21 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.234 0.334 . . . . 70.12 110.648 172.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.54 -53.23 54.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.883 0.873 . . . . 63.45 112.314 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.237 0.615 . . . . 53.41 111.943 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.96 -31.54 69.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.61 0.764 . . . . 52.04 112.025 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 97.5 mt -70.01 -44.19 69.82 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.429 0.292 . . . . 74.04 110.844 174.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -60.35 -32.32 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 C-N-CA 123.234 0.614 . . . . 72.34 110.744 172.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.57 -53.61 39.5 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.514 0.726 . . . . 71.35 110.805 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.5 mt-30 -66.19 -18.08 65.13 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.51 112.509 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.57 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 83.0 p -83.38 -46.19 12.84 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.45 0.7 . . . . 74.4 111.883 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -80.45 1.41 29.35 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.545 -0.752 . . . . 72.43 111.68 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -115.84 109.48 17.69 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 109.053 -0.721 . . . . 70.11 109.053 168.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.9 mmp_? -135.63 -171.37 2.83 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 124.553 1.141 . . . . 74.03 110.046 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.74 -26.87 25.87 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-N 116.359 -0.382 . . . . 62.01 112.401 168.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.6 pt -126.27 141.6 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.629 0.771 . . . . 61.04 111.678 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -21.79 64.43 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.828 0.851 . . . . 62.23 111.172 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.32 -52.38 64.94 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.762 0.825 . . . . 74.4 111.026 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 m -74.29 -28.28 61.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.66 -0.7 . . . . 43.54 111.708 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.82 -45.21 74.4 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 118.286 0.494 . . . . 74.11 111.284 169.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.41 -41.49 94.02 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.838 0.455 . . . . 72.44 111.649 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -65.53 -60.54 2.83 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.417 -0.81 . . . . 74.32 111.815 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 33' ' ' ARG . 69.1 mt -76.2 -34.39 59.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.882 1.067 . . . . 70.34 113.882 -172.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -67.46 -44.62 78.16 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 118.921 0.782 . . . . 63.13 111.004 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.07 99.75 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 116.097 -0.501 . . . . 65.15 112.303 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.81 -35.35 77.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.17 0.988 . . . . 73.23 111.007 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.16 -48.45 35.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.976 0.51 . . . . 75.14 112.292 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.11 61.57 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.0 -0.546 . . . . 51.13 112.011 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -92.59 -56.59 2.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.307 0.643 . . . . 75.12 112.104 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -81.81 -41.24 21.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 113.865 1.061 . . . . 65.04 113.865 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -62.96 -23.61 67.5 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.558 1.072 . . . . 61.52 112.539 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.78 -34.36 77.66 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.624 0.77 . . . . 73.53 111.325 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -22.17 16.83 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.032 0.753 . . . . 72.14 113.032 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.9 mtm -80.62 143.6 32.99 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.727 0.775 . . . . 74.35 112.487 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -100.73 -177.7 3.55 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.506 -1.224 . . . . 73.2 110.098 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.69 -46.28 40.26 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.522 1.129 . . . . 74.32 113.163 -171.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.68 -45.73 81.75 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.997 0.919 . . . . 70.4 112.263 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.07 -38.11 75.66 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.457 -0.792 . . . . 61.14 111.698 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 50' ' ' LEU . 45.1 mt -61.36 -46.7 89.1 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.502 0.927 . . . . 62.52 113.502 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.62 -27.91 66.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 122.039 -0.413 . . . . 74.43 111.836 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.17 -38.37 81.98 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.152 0.581 . . . . 63.52 110.316 170.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' HD1' HD11 ' A' ' 94' ' ' LEU . 38.3 t80 -62.41 -34.59 77.05 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.478 0.711 . . . . 73.1 112.47 178.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.07 -46.26 75.42 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.267 0.627 . . . . 71.12 111.592 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.6 m -55.5 -38.2 68.85 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.875 0.87 . . . . 74.31 112.601 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.12 -34.33 76.18 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.717 0.807 . . . . 73.25 111.66 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.2 mt -71.47 -23.58 61.85 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.701 0.8 . . . . 72.32 111.966 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -80.33 -12.42 59.6 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.997 0.519 . . . . 73.13 111.831 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -79.78 161.37 25.74 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.12 0.568 . . . . 73.44 111.816 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.91 123.72 20.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.286 1.034 . . . . 65.41 109.608 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -50.18 -46.19 54.07 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 114.175 1.176 . . . . 61.41 114.175 -176.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -55.61 -48.49 74.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.658 0.383 . . . . 72.31 111.823 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.75 -47.49 84.46 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.421 0.688 . . . . 74.25 111.327 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 69' ' ' ASP . 78.5 mt -51.03 -43.62 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 C-N-CA 124.148 0.979 . . . . 72.31 111.148 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -71.3 -38.26 71.76 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 115.205 -0.907 . . . . 75.12 111.688 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.45 -21.41 49.14 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.814 0.672 . . . . 72.45 112.814 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -80.01 -38.67 31.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.844 0.457 . . . . 74.44 109.932 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.15 -33.42 73.39 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.558 0.743 . . . . 43.51 111.512 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 p -104.61 -171.38 1.91 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.771 0.828 . . . . 74.14 110.726 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -111.44 92.69 4.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.332 0.653 . . . . 73.24 109.48 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -127.12 -74.45 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.681 -0.859 . . . . 54.32 108.681 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 66.58 -4.11 0.78 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.145 1.378 . . . . 72.04 114.626 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.04 -59.0 2.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.551 0.74 . . . . 72.31 109.615 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.8 p -66.38 -40.52 89.77 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.341 1.056 . . . . 60.44 111.103 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m -143.42 92.74 6.55 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.71 1.204 . . . . 72.35 109.946 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.69 161.23 46.78 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.877 2.384 . . . . 74.53 113.161 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -85.73 121.6 73.22 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 122.955 0.502 . . . . 71.31 111.106 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 13.9 Cg_exo -72.76 153.96 53.91 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 123.142 2.561 . . . . 51.32 112.465 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.26 -34.39 72.19 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.583 1.153 . . . . 71.31 112.594 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.526 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 20.7 ptmt -56.12 -36.73 68.54 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.596 1.158 . . . . 72.51 113.38 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.447 ' HB3' HD22 ' A' ' 95' ' ' LEU . 88.2 m95 -92.14 -19.62 22.09 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.955 0.502 . . . . 64.24 112.168 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.0 67.15 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.534 0.734 . . . . 61.45 112.951 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.51 -21.45 14.75 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.369 0.668 . . . . 74.31 112.371 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.6 m -64.13 126.41 27.63 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.148 0.579 . . . . 63.43 112.454 -174.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 62.0 tttm -62.99 -35.24 79.54 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.079 0.552 . . . . 71.35 110.52 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.576 HD11 ' HD1' ' A' ' 61' ' ' TYR . 47.4 tp -50.28 -49.71 52.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.511 1.124 . . . . 74.23 113.086 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 89' ' ' TRP . 56.7 tp -61.76 -37.53 84.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.109 -0.496 . . . . 55.45 111.031 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.68 -37.53 87.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.763 0.425 . . . . 63.24 109.958 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 20.8 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.805 0.842 . . . . 73.21 110.767 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.84 -40.88 83.69 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.316 1.046 . . . . 73.3 111.389 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.2 -28.06 67.77 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.556 1.143 . . . . 74.43 112.181 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.45 -54.65 9.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.7 0.4 . . . . 70.52 110.807 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 104' ' ' ASN . 54.2 t80 -64.43 -34.43 78.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.888 0.699 . . . . 71.44 112.888 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.403 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 87.9 p -51.55 -41.27 60.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.249 0.62 . . . . 54.41 111.44 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.56 -32.43 36.64 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 115.418 -0.81 . . . . 75.44 111.354 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 104' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 C-N-CA 124.19 0.996 . . . . 75.22 113.337 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.768 0.318 . . . . 75.41 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.68 -32.24 65.65 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.141 0.576 . . . . 72.05 112.49 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -62.4 -52.04 65.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 120.949 0.404 . . . . 65.24 110.193 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HE ' HD11 ' A' ' 58' ' ' LEU . 95.8 mtt180 -60.94 -41.28 95.96 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.435 -0.802 . . . . 74.43 110.916 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.92 78.15 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.269 0.628 . . . . 71.13 111.337 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -67.48 -40.58 85.26 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.614 0.766 . . . . 74.23 111.827 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.43 -45.75 68.41 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.916 0.389 . . . . 74.55 111.087 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.681 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.6 mt -60.76 -34.23 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.719 1.207 . . . . 75.32 111.254 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.11 -54.21 41.44 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.133 0.973 . . . . 72.13 111.248 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.0 mt-30 -68.48 -22.18 64.57 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 62.0 112.61 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.738 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.2 p -80.0 -27.5 39.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.973 0.509 . . . . 64.3 111.692 175.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.35 -16.27 37.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.97 0.508 . . . . 72.41 111.525 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -87.63 107.82 18.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.903 -1.147 . . . . 70.01 107.903 166.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.7 mmp_? -145.12 169.99 17.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.606 1.162 . . . . 64.15 109.022 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.42 -57.84 4.89 Favored Glycine 0 CA--C 1.541 1.688 0 CA-C-N 116.492 -0.322 . . . . 44.43 112.445 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.561 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.8 pt -99.19 148.02 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.512 0.725 . . . . 70.44 112.385 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.4 mm? -74.03 -15.95 61.07 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.646 -0.706 . . . . 62.32 112.245 174.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 35' ' ' ILE . 41.4 mt-10 -62.7 -48.75 77.92 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.214 0.531 . . . . 73.31 111.144 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.4 m -72.02 -34.3 68.71 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.339 0.656 . . . . 74.03 111.134 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 19.1 t70 -55.27 -55.28 33.2 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 123.229 0.611 . . . . 70.12 111.289 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.55 -39.39 73.34 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 123.847 0.859 . . . . 73.41 112.406 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.88 -57.03 13.36 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.652 -0.704 . . . . 72.1 111.51 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.738 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 77.2 mt -73.97 -25.46 59.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.95 0.9 . . . . 63.3 112.914 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -63.16 -49.96 72.28 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.622 0.769 . . . . 72.13 111.273 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.92 88.32 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 115.99 -0.55 . . . . 53.12 112.933 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.97 -44.32 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.842 0.857 . . . . 75.52 111.652 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.4 -44.71 67.41 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.079 0.551 . . . . 61.24 112.385 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -29.27 70.22 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.802 -0.636 . . . . 63.12 112.35 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -89.79 -55.39 3.65 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.562 0.745 . . . . 74.2 111.85 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.28 -45.45 47.59 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.486 0.921 . . . . 75.21 113.486 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD22 HG13 ' A' ' 27' ' ' ILE . 10.0 mp -61.87 -26.53 68.2 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.616 0.969 . . . . 60.35 113.616 -174.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.28 -43.73 85.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.795 0.438 . . . . 64.2 111.295 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -89.86 -18.6 25.89 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.137 0.575 . . . . 74.24 112.49 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.2 mtm -83.57 137.0 34.04 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.269 0.557 . . . . 71.53 111.54 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 m-20 -80.16 166.94 20.96 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.031 -0.986 . . . . 73.34 110.423 173.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 58' ' ' LEU . 2.7 mp0 -56.94 -31.06 64.59 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.648 1.179 . . . . 74.21 112.173 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.34 -36.52 84.28 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.192 0.997 . . . . 71.12 110.918 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.04 -40.31 24.42 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.435 1.094 . . . . 72.34 112.189 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 54' ' ' ASN . 84.8 mt -56.08 -37.16 68.96 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 124.658 1.183 . . . . 72.51 114.05 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.71 -28.45 68.44 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.877 0.471 . . . . 62.02 112.061 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.79 -34.68 69.6 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.799 0.44 . . . . 75.25 110.47 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.96 -35.12 80.15 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.725 0.41 . . . . 73.41 111.553 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -32.74 70.78 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 123.79 0.836 . . . . 71.32 111.581 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -65.42 -36.6 84.42 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.493 0.717 . . . . 61.23 111.722 175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -69.35 -29.7 67.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.679 0.792 . . . . 65.25 112.005 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 29' ' ' GLN . 61.1 mt -66.88 -24.52 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.568 0.747 . . . . 65.14 112.108 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -77.22 -17.32 58.56 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.32 1.048 . . . . 74.43 111.987 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.58 157.99 23.26 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.373 0.669 . . . . 62.23 111.621 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.42 135.41 56.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.61 0.764 . . . . 73.24 109.697 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.97 -55.08 7.28 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.661 1.185 . . . . 73.53 111.975 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -54.4 -46.94 73.24 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.354 -0.839 . . . . 74.54 112.026 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -60.96 -47.86 84.46 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.381 0.672 . . . . 52.14 112.158 -179.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 42' ' ' LEU . 77.6 mt -52.53 -46.94 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.537 0.735 . . . . 73.54 110.752 175.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.11 -39.58 82.74 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 115.026 -0.988 . . . . 73.22 111.823 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -76.4 -41.91 46.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.614 0.598 . . . . 62.34 112.614 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD11 ' A' ' 95' ' ' LEU . 22.9 m0 -62.59 -37.33 85.81 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.144 0.497 . . . . 71.01 110.294 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.477 ' HB1' ' OG ' ' A' ' 102' ' ' SER . . . -63.67 -47.28 81.87 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.301 1.041 . . . . 62.12 112.326 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -81.64 0.4 38.73 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.52 0.728 . . . . 73.41 112.013 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 74.39 12.64 3.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.418 1.487 . . . . 60.41 112.431 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.33 86.68 7.34 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.869 0.868 . . . . 65.15 110.379 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -88.91 4.68 47.11 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.472 0.709 . . . . 61.44 112.896 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -64.02 -60.08 3.68 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.222 0.609 . . . . 42.44 111.793 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -80.78 -38.14 29.04 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.863 0.865 . . . . 74.22 111.868 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 m -114.92 96.5 44.97 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 123.8 0.84 . . . . 72.34 110.185 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.97 149.91 66.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.907 2.405 . . . . 54.52 112.28 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.9 tp -83.12 123.64 77.2 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.221 0.609 . . . . 70.24 111.78 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -67.55 157.5 61.47 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.535 2.823 . . . . 74.53 112.825 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.82 -36.1 82.06 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.118 0.967 . . . . 74.21 112.784 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -60.12 -27.28 66.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.572 0.749 . . . . 63.24 112.74 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -96.06 -14.44 22.92 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.714 0.406 . . . . 74.01 112.072 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.82 102.85 0.13 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.824 0.45 . . . . 73.42 110.952 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 68.61 17.5 8.95 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.014 1.326 . . . . 75.45 113.233 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -66.71 137.66 56.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.215 0.606 . . . . 52.41 110.932 173.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -55.27 -49.81 71.12 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.068 0.547 . . . . 75.12 111.231 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -56.82 -42.4 79.54 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.488 0.715 . . . . 72.14 112.284 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.7 tp -63.68 -43.58 96.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.246 178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -59.89 -46.14 90.29 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.231 0.612 . . . . 71.3 110.871 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.99 -37.79 83.71 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.148 0.979 . . . . 62.15 111.602 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.8 tp -68.98 -42.33 76.7 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.784 0.833 . . . . 73.42 111.248 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -65.93 -43.57 87.7 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.606 0.762 . . . . 73.01 111.584 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.26 -37.56 87.72 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.167 0.587 . . . . 64.14 110.992 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -70.73 -42.94 69.87 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 111.741 0.274 . . . . 75.54 111.741 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.477 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 60.6 m -62.44 -38.0 88.05 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.152 0.797 . . . . 73.5 113.152 -174.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG3' ' ND2' ' A' ' 104' ' ' ASN . 11.0 pt-20 -81.63 -27.97 33.9 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.175 0.435 . . . . 74.55 112.175 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.449 ' ND2' ' HG3' ' A' ' 103' ' ' GLU . 65.8 m-80 . . . . . 0 CA--C 1.567 1.603 0 C-N-CA 123.403 0.681 . . . . 61.31 111.609 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.581 0.229 . . . . 70.54 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.18 165.44 15.33 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 114.91 0.724 . . . . 61.05 114.91 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -140.1 89.86 2.33 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.414 1.086 . . . . 73.34 109.041 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -82.95 70.87 10.04 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.653 0.781 . . . . 73.13 110.563 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -118.29 113.03 20.84 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.73 -0.841 . . . . 71.15 108.73 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -72.17 137.96 47.3 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.455 0.302 . . . . 72.31 111.273 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.31 154.26 28.32 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.306 0.642 . . . . 63.32 111.35 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -89.39 112.92 24.17 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.095 0.558 . . . . 73.13 110.355 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -139.83 148.85 42.74 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.24 0.616 . . . . 63.24 111.122 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -109.97 107.84 17.88 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.724 0.81 . . . . 62.44 109.754 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.8 ptm -74.92 77.94 2.16 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.28 1.038 . . . . 70.22 111.638 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -87.57 95.17 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 115.647 -0.706 . . . . 75.22 109.821 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -85.41 81.49 8.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.41 0.624 . . . . 74.53 110.197 -179.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -137.24 137.82 39.47 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.696 0.798 . . . . 72.43 110.512 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.9 m -135.68 103.06 5.3 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.448 0.699 . . . . 74.4 110.549 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -130.79 76.3 1.71 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.206 -1.035 . . . . 63.42 108.206 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.04 160.93 21.75 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 124.107 0.963 . . . . 74.43 110.318 -174.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 63.9 Cg_exo -54.37 138.05 72.65 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.577 2.185 . . . . 53.34 112.195 164.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -31.89 73.3 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.879 0.471 . . . . 71.43 111.706 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.03 -40.51 93.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.342 0.657 . . . . 74.54 111.74 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 92.2 mttt -67.68 -31.65 71.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.674 0.39 . . . . 61.21 111.968 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.45 -39.43 77.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.309 0.244 . . . . 61.35 111.038 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HA ' HD23 ' A' ' 50' ' ' LEU . 54.2 mtt-85 -60.44 -46.19 90.95 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.801 0.441 . . . . 74.14 109.877 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.15 87.45 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.212 0.605 . . . . 71.12 111.788 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -65.35 -50.0 67.24 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.145 0.978 . . . . 72.2 112.108 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.93 -39.09 79.82 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.06 0.544 . . . . 63.53 111.595 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.712 HG13 HD22 ' A' ' 50' ' ' LEU . 93.9 mt -65.17 -36.13 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 C-N-CA 123.779 0.832 . . . . 72.22 110.907 172.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -64.34 -48.03 77.08 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.419 0.688 . . . . 75.44 111.925 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -70.4 -25.02 63.04 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.391 0.677 . . . . 55.15 111.164 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 t -68.82 -32.24 71.8 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.067 0.947 . . . . 64.31 111.543 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.58 4.09 54.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.95 0.9 . . . . 73.15 111.808 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -98.9 111.32 23.74 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 107.689 -1.226 . . . . 71.42 107.689 161.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.63 152.33 37.7 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.886 0.875 . . . . 74.32 111.187 -167.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.0 -35.91 37.41 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-N 115.796 -0.638 . . . . 65.13 113.539 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' A' ' 69' ' ' ASP . 41.6 pt -124.38 151.78 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 CA-C-N 117.319 0.56 . . . . 75.34 112.007 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.2 mm? -72.56 -25.26 61.29 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.021 0.928 . . . . 70.22 112.345 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.17 -51.35 66.77 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.044 0.45 . . . . 44.22 111.766 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.456 ' H ' HG13 ' A' ' 35' ' ' ILE . 30.7 m -72.83 -29.64 63.39 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.275 0.63 . . . . 54.53 111.254 175.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t70 -59.31 -54.68 44.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.012 0.525 . . . . 73.43 111.852 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.78 -38.32 90.18 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.582 0.753 . . . . 34.24 111.707 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.88 -59.68 5.03 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.81 0.844 . . . . 73.24 111.669 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' ARG . 66.5 mt -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.958 0.725 . . . . 64.32 112.958 -176.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -48.14 75.86 Favored 'General case' 0 N--CA 1.5 2.049 0 CA-C-N 118.622 0.647 . . . . 74.04 111.525 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.43 -40.17 79.69 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.57 -0.741 . . . . 52.54 112.745 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -62.34 -48.29 80.44 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.813 0.845 . . . . 53.34 111.643 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -66.1 -48.5 70.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.329 0.652 . . . . 44.11 112.095 -177.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.48 -25.19 67.09 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.72 -0.673 . . . . 65.32 112.38 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -91.07 -54.99 3.71 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.014 0.926 . . . . 75.22 112.499 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -80.03 -36.35 35.89 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.289 1.036 . . . . 74.11 113.104 -168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HG ' HD22 ' A' ' 58' ' ' LEU . 8.5 mp -64.42 -22.38 66.94 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 118.628 0.649 . . . . 71.01 112.733 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -66.55 -43.94 83.7 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.764 0.425 . . . . 74.11 111.443 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -88.68 -24.1 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.997 0.74 . . . . 73.43 112.997 -175.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 63.0 mtm -82.59 143.55 30.95 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.053 0.761 . . . . 72.13 113.053 -174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -77.25 163.98 26.01 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.493 1.117 . . . . 73.4 109.893 173.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 43.8 tt0 -55.52 -35.12 65.29 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 112.456 0.539 . . . . 74.52 112.456 -176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.99 -48.76 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.731 0.812 . . . . 72.45 111.361 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 27.5 mm-40 -65.31 -37.89 88.51 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.695 0.798 . . . . 63.32 111.725 175.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 ' HG ' ' A' ' 50' ' ' LEU . 24.2 mt -62.53 -29.01 70.25 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.705 0.802 . . . . 72.32 112.539 173.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 6.7 mm-40 -77.25 -31.76 55.25 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.444 0.697 . . . . 64.35 111.618 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -66.73 -35.9 81.19 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.174 0.511 . . . . 74.41 109.723 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -69.95 -34.17 73.07 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.843 -0.617 . . . . 74.02 111.425 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.61 -43.56 97.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.361 0.664 . . . . 42.44 109.721 172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -58.57 -29.92 66.78 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.602 0.761 . . . . 71.1 112.46 173.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.16 -33.97 61.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.678 0.791 . . . . 50.55 111.581 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.94 -24.55 64.29 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.05 0.54 . . . . 75.32 112.201 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -74.2 -15.18 61.01 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.395 0.678 . . . . 74.15 112.376 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -86.7 160.56 18.81 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.168 0.587 . . . . 73.15 111.378 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.14 144.97 30.38 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 75.41 111.75 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.3 m-20 -40.52 -65.46 0.41 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.18 1.392 . . . . 74.45 114.289 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -62.99 -35.78 81.33 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.416 0.447 . . . . 65.43 112.202 -174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.05 -49.14 75.73 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.136 0.273 . . . . 52.03 110.78 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 86.5 mt -55.06 -45.05 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 C-N-CA 123.99 0.916 . . . . 72.21 111.121 173.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.38 -40.28 93.29 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.351 -0.841 . . . . 63.24 111.646 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -71.09 -40.56 71.47 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.954 0.502 . . . . 72.13 111.702 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HB3' HD11 ' A' ' 95' ' ' LEU . 20.2 m0 -65.39 -35.99 82.62 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.8 0.333 . . . . 73.1 111.262 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.28 75.72 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.789 0.836 . . . . 74.04 112.416 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.8 p -85.3 -1.27 56.79 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.46 0.704 . . . . 74.45 112.18 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 69.82 19.04 7.26 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 125.07 1.348 . . . . 75.11 112.449 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -82.43 66.62 8.12 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 121.896 0.855 . . . . 72.4 109.949 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -76.22 -9.33 58.55 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 115.329 -0.851 . . . . 64.51 111.975 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.09 -50.88 71.47 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.994 0.918 . . . . 51.51 111.093 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 m -76.37 -55.38 5.6 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.344 -0.389 . . . . 63.43 110.638 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -112.0 103.06 54.97 Favored Pre-proline 0 N--CA 1.487 1.388 0 C-N-CA 123.401 0.681 . . . . 72.12 110.538 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.56 148.05 83.49 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 122.982 2.454 . . . . 63.43 112.714 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.1 tp -81.25 118.45 72.35 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-O 119.297 -0.382 . . . . 75.24 111.739 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -72.1 165.22 33.27 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 123.345 2.697 . . . . 74.53 113.14 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.97 -46.03 85.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.106 0.962 . . . . 72.52 112.354 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -55.24 -24.24 26.77 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.359 0.874 . . . . 75.42 113.359 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -106.23 -23.3 12.61 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.562 0.579 . . . . 74.12 112.562 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.26 73.99 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.962 0.905 . . . . 63.35 112.73 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -111.4 11.8 21.52 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.132 0.573 . . . . 75.42 112.231 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -88.06 132.84 34.14 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.839 0.456 . . . . 71.31 111.923 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -70.07 -38.31 75.71 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 116.144 -0.48 . . . . 73.54 111.283 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 tp -55.55 -43.31 75.71 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.823 0.849 . . . . 72.5 112.346 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 75' ' ' TRP . 16.0 tp -56.23 -48.64 76.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.37 0.605 . . . . 72.33 111.268 175.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -66.85 -32.32 73.51 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.085 -0.962 . . . . 72.42 111.166 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -63.82 -39.69 94.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.559 0.743 . . . . 74.52 110.724 172.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.9 tp -68.62 -37.19 79.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.11 0.964 . . . . 65.34 111.351 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -69.22 -45.99 68.47 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.263 0.625 . . . . 61.43 111.301 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.56 -23.97 66.29 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.812 0.845 . . . . 70.14 111.802 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -73.89 -47.8 35.49 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.885 0.474 . . . . 74.41 110.39 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.5 m -56.05 -37.98 70.0 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.941 0.896 . . . . 75.5 113.259 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.04 -33.07 73.88 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.851 0.46 . . . . 53.3 111.698 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -90.02 -77.27 0.4 Allowed 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.011 0.524 . . . . 72.12 111.582 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 45.65 -80.85 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 125.837 1.655 . . . . 74.42 113.482 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -93.52 -2.42 54.36 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.729 0.812 . . . . 73.2 111.825 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.83 96.01 4.89 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.501 1.12 . . . . 51.44 110.248 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.73 -176.77 6.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.795 0.438 . . . . 64.23 111.034 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.489 1.48 0 C-N-CA 124.001 0.92 . . . . 52.01 111.567 177.709 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.942 0.401 . . . . 73.1 111.469 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.69 172.78 44.13 Favored Glycine 0 N--CA 1.476 1.356 0 CA-C-N 115.989 -0.55 . . . . 71.44 114.186 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -159.36 124.74 4.2 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.997 0.919 . . . . 71.45 110.112 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -154.71 79.52 1.08 Allowed 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.181 0.515 . . . . 74.42 111.036 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -141.34 127.13 19.18 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.004 0.922 . . . . 74.04 110.646 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -155.76 128.85 8.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.406 0.682 . . . . 65.33 110.698 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -135.57 122.39 21.11 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.873 0.869 . . . . 74.33 110.127 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -150.54 109.07 3.8 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.328 0.651 . . . . 72.23 110.132 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -80.54 147.82 30.65 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.611 0.764 . . . . 44.04 111.061 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -152.15 133.09 14.18 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.312 0.645 . . . . 63.45 110.594 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.1 ptp -88.7 130.72 35.26 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.979 0.511 . . . . 74.54 110.123 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.95 77.75 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 121.884 0.85 . . . . 62.43 110.094 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -136.79 101.41 4.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.489 1.116 . . . . 75.14 109.18 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -80.51 75.13 7.38 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.873 0.844 . . . . 54.04 109.996 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.0 m -88.59 83.12 6.78 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.635 -0.711 . . . . 64.11 109.444 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 m120 59.91 -162.15 0.26 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.934 0.894 . . . . 74.31 111.609 -172.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -115.81 95.59 44.38 Favored Pre-proline 0 N--CA 1.483 1.222 0 C-N-CA 123.012 0.525 . . . . 64.12 110.124 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 21' ' ' LYS . 31.2 Cg_exo -61.43 145.91 97.63 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.614 2.21 . . . . 45.12 111.496 166.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.22 -39.41 75.14 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.714 0.405 . . . . 65.41 112.01 -171.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -74.07 -27.54 60.96 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 112.487 0.551 . . . . 72.25 112.487 172.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 18' ' ' PRO . 25.6 mttp -68.23 -32.37 72.52 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 118.604 0.638 . . . . 74.4 111.494 168.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.9 tttp -64.75 -54.63 28.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.722 -0.844 . . . . 62.11 108.722 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 27' ' ' ILE . 38.6 ttm180 -53.28 -54.41 36.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.854 1.261 . . . . 71.35 112.169 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.17 79.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.45 0.7 . . . . 72.33 112.396 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -72.41 -32.34 66.28 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.685 0.794 . . . . 70.51 111.829 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 83.4 mt -66.06 -47.33 74.67 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 54.22 110.359 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 23' ' ' ARG . 39.5 mt -62.59 -31.11 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 C-N-CA 123.891 0.876 . . . . 71.22 111.441 175.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -67.83 -51.28 50.27 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.79 0.836 . . . . 74.52 111.502 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.596 ' HB2' HD13 ' A' ' 65' ' ' LEU . 43.0 mt-30 -74.35 -13.19 60.71 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.206 0.603 . . . . 61.42 112.347 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.76 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 85.3 p -88.86 -38.57 14.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.292 0.637 . . . . 44.3 111.217 174.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -77.81 -9.39 59.01 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.257 0.551 . . . . 73.41 110.146 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 111.68 23.84 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.55 -0.907 . . . . 74.23 108.55 163.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.49 168.56 20.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.734 1.214 . . . . 74.54 109.561 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.77 -59.03 7.48 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.561 -0.29 . . . . 62.21 113.056 175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -96.13 154.24 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.123 0.569 . . . . 73.3 112.467 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 29.7 tp -72.26 -22.95 61.15 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.415 -0.811 . . . . 73.13 111.552 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HB2' HD12 ' A' ' 35' ' ' ILE . 2.1 mp0 -63.02 -52.17 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.436 0.694 . . . . 51.1 110.974 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 ' H ' HG13 ' A' ' 35' ' ' ILE . 20.1 m -73.52 -30.13 62.9 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.477 0.711 . . . . 65.11 111.334 175.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 18.8 t70 -54.66 -58.91 5.67 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.999 0.52 . . . . 75.02 111.563 174.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.8 mt -55.79 -35.66 66.54 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.658 0.783 . . . . 75.3 111.746 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.9 -60.41 2.89 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 124.063 0.945 . . . . 75.51 111.876 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.76 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 58.6 mt -76.1 -31.89 58.93 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.047 1.128 . . . . 35.44 114.047 -173.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.3 p -62.15 -48.67 79.06 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.135 0.425 . . . . 54.14 110.921 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.19 -44.82 85.58 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.446 -0.797 . . . . 32.42 113.048 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.17 -43.08 82.25 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.015 0.926 . . . . 73.43 111.762 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.35 -47.09 65.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.128 -0.942 . . . . 61.23 111.866 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -31.78 73.05 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.004 -0.543 . . . . 72.42 112.066 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.31 -55.87 3.35 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.942 0.897 . . . . 75.44 112.403 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -78.63 -26.87 45.32 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.636 0.976 . . . . 75.12 113.636 -171.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -66.54 -22.44 66.16 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 118.47 0.577 . . . . 72.43 112.097 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.72 -41.96 99.42 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.074 0.55 . . . . 73.14 111.309 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -22.26 25.24 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.672 0.619 . . . . 60.21 112.672 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.5 mtm -81.35 138.54 35.64 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.473 0.654 . . . . 62.14 112.059 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.62 175.04 6.53 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 125.316 1.446 . . . . 74.22 109.846 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.87 -47.4 31.79 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.153 1.381 . . . . 54.34 113.786 -169.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -71.95 -37.6 69.95 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.694 0.798 . . . . 75.53 111.268 -173.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -64.91 -41.34 95.64 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.865 0.866 . . . . 74.52 111.634 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HG ' ' A' ' 50' ' ' LEU . 66.4 mt -58.59 -29.08 66.16 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.047 0.939 . . . . 72.42 113.081 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -69.21 -39.01 78.86 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.023 0.529 . . . . 74.21 111.852 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.13 -34.22 77.55 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.969 0.507 . . . . 62.23 110.318 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' HD1' HD11 ' A' ' 94' ' ' LEU . 35.5 t80 -67.46 -39.94 85.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.914 175.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.08 -34.59 72.15 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.311 0.645 . . . . 62.43 110.868 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 m -62.96 -37.88 88.88 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.89 0.876 . . . . 73.0 112.366 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.18 -30.92 71.01 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 123.384 0.674 . . . . 63.23 112.017 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 29' ' ' GLN . 51.5 mt -68.15 -21.29 64.92 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.386 0.674 . . . . 63.21 112.316 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -82.25 -6.63 59.36 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.111 0.564 . . . . 63.35 111.98 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -87.2 163.96 16.62 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.976 0.511 . . . . 64.32 110.458 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.5 mt -81.32 137.52 35.75 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.647 0.379 . . . . 63.23 111.088 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -47.64 -52.2 18.83 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.809 1.04 . . . . 72.21 113.809 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -56.49 -44.38 80.62 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 112.296 0.48 . . . . 74.52 112.296 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.26 -51.18 68.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.501 0.32 . . . . 71.22 111.099 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 42' ' ' LEU . 81.2 mt -51.81 -38.16 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 124.08 0.952 . . . . 71.14 111.329 175.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -68.99 -47.04 66.53 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.831 -0.622 . . . . 64.31 111.574 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.72 -20.17 59.94 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 112.346 0.498 . . . . 73.44 112.346 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 40.1 m0 -77.33 -44.47 29.42 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.899 0.48 . . . . 74.03 110.629 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.69 -69.66 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.337 0.655 . . . . 60.14 111.163 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 p -75.5 111.31 10.67 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.574 -0.898 . . . . 73.15 108.574 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 84.69 0.17 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.963 0.905 . . . . 73.11 112.502 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -110.71 -59.3 1.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.857 -1.065 . . . . 71.34 109.609 171.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 54.83 20.27 2.98 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 124.417 1.087 . . . . 63.25 113.444 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -82.09 5.26 20.08 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 124.415 1.086 . . . . 65.11 113.287 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 t -162.83 -32.34 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.241 1.016 . . . . 71.3 110.576 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.0 m -109.94 98.17 32.94 Favored Pre-proline 0 N--CA 1.486 1.369 0 C-N-CA 123.647 0.779 . . . . 64.15 110.734 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.78 157.45 55.26 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.318 2.012 . . . . 74.33 112.141 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.9 tp -85.39 121.84 73.65 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 122.895 0.478 . . . . 72.42 111.48 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.676 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.2 Cg_exo -76.94 160.51 33.69 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.759 2.306 . . . . 73.13 112.226 173.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.57 -33.31 73.64 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.332 1.053 . . . . 70.33 111.945 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.4 ptmt -58.97 -23.03 61.33 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.481 1.112 . . . . 75.32 113.305 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -115.67 -16.47 11.27 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 112.627 0.603 . . . . 73.34 112.627 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.66 88.17 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.053 0.541 . . . . 72.05 111.225 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -99.0 10.11 42.17 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.767 0.827 . . . . 65.35 112.462 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -98.33 126.19 43.74 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 122.969 0.508 . . . . 61.52 111.286 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -70.2 -27.49 64.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.656 0.383 . . . . 64.33 110.935 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.424 HD11 ' HD1' ' A' ' 61' ' ' TYR . 50.5 tp -52.06 -42.75 63.39 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.591 0.757 . . . . 75.43 112.286 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.38 -45.92 92.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.566 -0.743 . . . . 75.02 111.268 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.77 -28.47 67.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.445 0.698 . . . . 74.41 111.416 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -67.48 -36.06 80.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.116 0.966 . . . . 72.55 110.874 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.7 -33.88 60.36 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.858 0.863 . . . . 74.31 111.362 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.19 -45.85 68.92 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.908 0.883 . . . . 74.24 111.24 177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.08 -36.8 80.4 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.696 0.399 . . . . 71.5 110.716 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.99 -37.52 86.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.333 0.253 . . . . 73.14 111.257 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.538 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 21.1 t -55.23 -28.77 55.54 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.893 0.477 . . . . 75.13 111.699 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.67 -43.28 23.04 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 123.873 0.869 . . . . 64.3 110.968 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -89.77 -10.84 44.03 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.688 1.366 . . . . 64.43 114.688 -166.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 102' ' ' SER . 16.6 pttp -64.27 -26.69 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.246 0.832 . . . . 74.04 113.246 -177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.56 1.79 32.63 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.721 0.809 . . . . 72.53 111.591 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -101.75 -0.81 33.75 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.741 0.816 . . . . 74.44 112.401 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -97.26 154.93 17.1 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.863 0.865 . . . . 70.32 109.885 173.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 122.381 1.086 . . . . 65.25 111.715 -176.06 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 121.03 0.443 . . . . 65.21 111.332 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.26 61.2 0.02 OUTLIER Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.539 -0.755 . . . . 53.34 112.068 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -65.95 129.13 38.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.347 0.594 . . . . 61.33 112.222 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -84.71 139.54 31.93 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.739 -0.664 . . . . 74.33 109.471 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -84.24 69.58 10.45 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.468 0.651 . . . . 65.24 110.813 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.2 78.81 4.0 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.854 0.835 . . . . 72.14 110.53 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.08 71.93 9.13 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.484 -0.78 . . . . 55.15 109.272 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -128.6 93.74 3.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.1 0.96 . . . . 72.03 109.73 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.8 m 62.17 179.75 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 124.815 1.246 . . . . 75.22 112.578 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.6 94.88 4.63 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.02 0.528 . . . . 73.23 110.514 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -79.9 77.59 6.56 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.322 0.582 . . . . 75.24 109.762 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.6 mt -85.61 117.5 30.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.522 0.729 . . . . 62.52 111.174 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -104.69 91.45 3.86 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 121.683 0.754 . . . . 72.35 110.962 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -86.38 -9.33 56.55 Favored 'General case' 0 CA--C 1.563 1.459 0 CA-C-N 114.747 -1.115 . . . . 63.15 110.035 171.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.9 m -64.88 125.95 26.46 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.942 1.297 . . . . 74.51 112.237 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 m120 60.92 25.12 15.11 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.673 1.189 . . . . 64.31 112.922 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -94.43 110.35 48.28 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 122.774 0.43 . . . . 54.5 110.31 173.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -60.7 146.42 97.27 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.589 2.193 . . . . 34.43 111.671 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD11 HD12 ' A' ' 58' ' ' LEU . 2.6 tm? -59.42 -33.12 70.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.728 0.811 . . . . 70.12 110.89 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.13 -39.53 86.63 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.682 0.793 . . . . 72.52 111.475 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -73.29 -29.16 62.53 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 122.822 0.449 . . . . 72.5 111.635 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.21 -46.74 87.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.776 0.43 . . . . 61.24 110.563 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttp85 -56.36 -39.46 72.92 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.076 0.95 . . . . 73.23 110.808 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.97 92.84 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.472 0.709 . . . . 61.32 111.832 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -63.48 -33.7 76.15 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.961 0.904 . . . . 72.53 112.244 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.83 -49.08 21.88 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 122.706 0.402 . . . . 71.51 111.14 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 46' ' ' ALA . 75.8 mt -57.62 -33.11 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 C-N-CA 123.335 0.654 . . . . 70.1 111.238 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.37 -50.17 70.97 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.704 0.802 . . . . 63.25 111.492 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' HB2' HD13 ' A' ' 65' ' ' LEU . 47.4 mt-30 -81.58 -8.76 59.76 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.374 0.67 . . . . 71.34 112.636 -178.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 71.0 p -84.31 -46.02 12.21 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.017 0.527 . . . . 74.25 110.773 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.61 2.87 20.82 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.501 -0.772 . . . . 54.41 111.583 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -114.93 112.03 22.08 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.464 -0.569 . . . . 73.15 109.464 163.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' HD2' HD12 ' A' ' 42' ' ' LEU . 6.3 mmp_? -136.96 166.27 24.05 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.849 1.26 . . . . 72.23 109.672 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.26 -40.23 94.68 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 116.41 -0.359 . . . . 61.12 113.367 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.422 HG13 ' H ' ' A' ' 38' ' ' THR . 31.2 pt -108.73 149.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 C-N-CA 122.807 0.443 . . . . 72.13 110.858 174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.83 -22.11 59.9 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.81 0.844 . . . . 71.3 112.807 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.86 -52.3 51.46 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 120.905 0.383 . . . . 75.13 111.47 177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.422 ' H ' HG13 ' A' ' 35' ' ' ILE . 28.7 m -72.84 -29.56 63.31 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.299 0.64 . . . . 62.14 111.394 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.42 -55.0 33.22 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.887 0.875 . . . . 74.33 111.127 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.92 -33.29 70.38 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.893 0.877 . . . . 71.41 112.05 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.5 -56.6 19.37 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.284 0.633 . . . . 75.24 111.341 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HD2' ' A' ' 33' ' ' ARG . 71.2 mt -74.25 -24.36 59.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.618 0.767 . . . . 71.03 112.399 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -62.61 -55.06 30.64 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.606 0.362 . . . . 55.22 110.987 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.43 95.46 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-N 116.035 -0.529 . . . . 42.0 113.116 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.42 -43.37 98.98 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.879 0.872 . . . . 74.24 111.222 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.91 -36.68 72.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.762 0.425 . . . . 61.33 112.101 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.87 86.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.634 -0.712 . . . . 73.32 112.057 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -86.38 -56.09 3.6 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.087 0.555 . . . . 72.42 111.705 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -74.97 -54.18 7.66 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 118.098 -0.953 . . . . 73.31 113.176 -169.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.0 mp -54.39 -30.44 52.08 Favored 'General case' 0 N--CA 1.506 2.333 0 CA-C-N 119.115 0.87 . . . . 73.11 113.138 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -62.43 -29.68 70.68 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 123.704 0.801 . . . . 72.25 112.229 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -122.26 -3.84 8.95 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.876 0.87 . . . . 63.35 112.923 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.598 ' SD ' HD23 ' A' ' 58' ' ' LEU . 41.9 ttm -72.57 150.35 43.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.024 0.93 . . . . 61.42 111.492 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -77.67 151.41 34.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.28 0.632 . . . . 51.44 111.004 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.3 -40.28 74.07 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.584 1.154 . . . . 71.51 111.545 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.33 -35.27 75.25 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 124.48 1.112 . . . . 72.03 113.129 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 53' ' ' MET . 41.5 mt-10 -78.45 -32.91 48.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.288 0.635 . . . . 73.23 112.102 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD23 ' SD ' ' A' ' 53' ' ' MET . 81.0 mt -60.11 -35.99 76.45 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.713 1.005 . . . . 63.35 113.713 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 122.595 0.358 . . . . 72.34 111.699 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.73 -33.64 66.53 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 122.994 0.518 . . . . 75.01 110.098 172.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' HD1' HD11 ' A' ' 94' ' ' LEU . 45.5 t80 -66.81 -37.36 84.37 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.215 0.606 . . . . 75.14 111.996 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -54.85 -45.94 74.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.323 0.649 . . . . 74.32 110.301 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.8 m -59.29 -36.31 75.34 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.947 0.899 . . . . 54.44 112.258 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.23 -34.25 77.08 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.343 0.657 . . . . 65.55 111.874 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 29' ' ' GLN . 70.9 mt -71.52 -18.76 62.26 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.017 0.527 . . . . 64.02 111.922 178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -84.23 -7.97 59.18 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.476 0.711 . . . . 51.35 112.153 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.12 167.5 16.71 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.293 0.568 . . . . 72.52 111.688 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 133.73 38.45 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.431 -0.804 . . . . 73.34 110.859 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -49.64 -54.39 18.76 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 125.177 1.391 . . . . 61.31 112.985 -173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -54.37 -47.11 73.02 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.377 0.671 . . . . 74.3 112.292 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.32 -45.68 93.41 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.212 0.605 . . . . 72.13 111.464 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.567 HG21 HD11 ' A' ' 42' ' ' LEU . 70.2 mt -53.38 -46.64 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 124.019 0.928 . . . . 65.01 111.039 174.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -62.22 -45.25 94.21 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 114.627 -1.17 . . . . 74.11 111.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -70.15 -40.14 74.93 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 112.95 0.722 . . . . 75.43 112.95 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.486 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.4 m0 -64.14 -38.24 90.34 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.125 0.488 . . . . 74.12 110.852 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.61 13.22 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.973 -1.012 . . . . 72.41 111.824 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.3 p -83.81 6.48 21.2 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 124.006 0.922 . . . . 73.42 112.655 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 67.56 20.06 9.77 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.762 1.225 . . . . 75.35 113.134 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.87 60.81 5.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.637 0.775 . . . . 73.23 111.038 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 72.3 m-85 -74.94 0.97 13.96 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.512 0.725 . . . . 43.31 112.53 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.93 -26.35 14.74 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.569 1.548 . . . . 73.23 113.811 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.8 t -128.69 -35.74 1.89 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.335 0.654 . . . . 74.31 111.972 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.8 m -116.14 100.74 53.75 Favored Pre-proline 0 N--CA 1.489 1.518 0 C-N-CA 123.003 0.521 . . . . 72.44 110.259 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.21 160.5 48.81 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.755 2.303 . . . . 73.42 112.829 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 33.8 tp -81.55 123.11 81.12 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 122.813 0.445 . . . . 71.24 111.164 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.9 Cg_exo -78.45 165.57 25.13 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.993 2.462 . . . . 62.43 112.988 175.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.78 -31.92 73.38 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.22 1.008 . . . . 74.23 112.067 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.7 ptmt -62.62 -29.08 70.35 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.033 0.933 . . . . 54.41 112.862 178.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -103.14 -16.77 15.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 112.576 0.584 . . . . 74.1 112.576 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.16 -31.53 65.49 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.547 0.739 . . . . 71.33 112.442 175.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -99.44 -5.63 29.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.805 0.842 . . . . 63.41 112.627 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -83.18 133.8 35.01 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.285 0.846 . . . . 74.42 113.285 -170.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -69.97 -41.54 74.32 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.107 0.963 . . . . 74.25 111.031 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 26.9 tp -51.9 -44.27 63.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.98 1.312 . . . . 63.41 112.777 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 75' ' ' TRP . 44.6 tp -53.62 -48.24 69.51 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.782 -0.645 . . . . 74.42 110.743 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 55.6 mttp -64.26 -37.3 87.0 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.223 -0.899 . . . . 73.53 111.308 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.0 -44.26 94.66 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.895 0.878 . . . . 74.23 110.982 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.29 -33.35 65.15 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.006 0.922 . . . . 72.51 111.752 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.32 -39.79 85.89 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.599 0.76 . . . . 70.42 111.314 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 19.1 mm-40 -67.46 -37.03 82.3 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.889 0.476 . . . . 62.31 111.715 175.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.02 -56.16 6.76 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.663 -0.244 . . . . 74.11 111.523 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.3 p -58.87 -45.4 90.26 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.16 0.984 . . . . 74.02 113.202 -169.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.97 -25.68 60.06 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.472 -0.785 . . . . 72.33 112.043 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -117.84 10.8 13.33 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 113.912 1.079 . . . . 71.11 113.912 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -3.03 41.0 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 113.265 0.839 . . . . 73.43 113.265 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.59 -14.86 23.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.122 0.969 . . . . 72.15 111.049 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt 43.4 84.67 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.079 1.751 . . . . 71.44 113.991 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.19 -176.98 5.5 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.569 0.748 . . . . 74.13 110.786 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.936 0.874 . . . . 73.22 111.885 179.67 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.575 0.226 . . . . 54.11 110.762 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.79 133.26 1.96 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 111.957 -0.457 . . . . 61.5 111.957 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -73.82 -31.38 63.19 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.301 0.64 . . . . 74.02 112.422 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -102.56 143.7 31.92 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.48 0.712 . . . . 73.03 111.115 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.6 m80 54.79 80.5 0.12 Allowed 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.758 1.223 . . . . 72.3 112.611 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -84.75 92.93 8.34 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.442 0.697 . . . . 63.21 110.92 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -100.01 135.2 41.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.717 0.807 . . . . 65.14 110.992 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.83 158.38 18.14 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.77 0.828 . . . . 73.35 111.554 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -136.39 -68.7 0.49 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.666 0.786 . . . . 43.44 110.565 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -87.77 73.71 9.23 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.422 0.63 . . . . 75.44 110.314 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.9 tpp -110.93 89.96 3.19 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.7 0.8 . . . . 72.14 110.625 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.3 mt -110.17 126.5 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.125 0.97 . . . . 74.45 108.883 173.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 64.01 95.48 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.084 0.954 . . . . 65.41 111.174 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -67.49 -50.72 57.68 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.832 0.453 . . . . 71.44 111.476 -177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -151.71 -79.02 0.12 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.138 0.575 . . . . 64.31 110.802 175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -138.93 -65.89 0.48 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.821 0.849 . . . . 75.55 109.231 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 39.4 tt0 -140.02 83.52 15.99 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 123.658 0.783 . . . . 74.12 109.302 172.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.92 172.94 8.97 Favored 'Trans proline' 0 C--N 1.373 1.862 0 C-N-CA 122.614 2.209 . . . . 62.33 113.277 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -63.79 -29.03 70.28 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 115.163 -0.926 . . . . 74.1 110.022 174.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.29 -38.15 85.76 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.772 1.229 . . . . 63.32 112.162 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HD2' ' HA ' ' A' ' 17' ' ' GLU . 84.7 mttt -70.16 -37.74 75.28 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 122.401 0.28 . . . . 65.22 111.662 175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -60.94 -48.17 83.07 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 123.276 0.36 . . . . 65.01 110.179 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HA ' HD23 ' A' ' 50' ' ' LEU . 89.9 mtt180 -56.38 -55.05 38.3 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 115.409 -0.814 . . . . 70.41 111.303 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.45 70.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.391 0.676 . . . . 73.45 112.256 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.61 -39.88 84.72 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.552 1.141 . . . . 65.15 112.537 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.3 mt -74.22 -40.67 62.28 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.577 0.351 . . . . 75.31 111.325 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.66 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.5 mt -59.02 -34.4 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 C-N-CA 123.776 0.83 . . . . 71.31 110.248 169.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -68.58 -39.66 80.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.724 0.809 . . . . 74.05 111.616 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.636 ' HB2' HD13 ' A' ' 65' ' ' LEU . 47.7 mt-30 -78.69 -10.11 59.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.153 0.581 . . . . 63.13 112.368 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.4 p -88.55 -32.36 18.2 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.13 0.572 . . . . 64.41 110.438 168.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -76.19 -9.94 59.02 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.906 0.882 . . . . 64.41 111.067 170.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -98.84 116.04 30.18 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.167 -1.049 . . . . 74.22 108.167 160.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -151.27 173.41 14.49 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.642 0.377 . . . . 74.1 110.225 -178.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -63.01 2.14 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 112.057 -0.417 . . . . 70.23 112.057 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 37' ' ' GLU . 39.9 pt -99.28 153.4 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 123.106 0.562 . . . . 74.31 112.099 176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.92 -24.67 59.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.724 0.809 . . . . 74.42 112.496 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HB2' HD12 ' A' ' 35' ' ' ILE . 27.6 mm-40 -59.36 -53.27 60.09 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.722 0.409 . . . . 75.15 112.071 176.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.413 ' H ' HG13 ' A' ' 35' ' ' ILE . 15.6 m -73.82 -30.13 62.54 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.882 0.473 . . . . 71.24 111.622 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -54.78 -55.87 25.44 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.258 0.623 . . . . 73.5 110.993 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.81 -30.58 67.07 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.564 0.745 . . . . 52.1 112.109 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.94 -52.05 66.68 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.196 0.598 . . . . 62.24 110.805 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -74.77 -35.33 62.55 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.395 0.678 . . . . 72.54 112.329 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -73.18 -35.95 66.49 Favored 'General case' 0 N--CA 1.5 2.052 0 C-N-CA 123.105 0.562 . . . . 45.42 112.492 -177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.71 -41.01 85.09 Favored Glycine 0 N--CA 1.478 1.447 0 CA-C-O 121.428 0.46 . . . . 63.02 112.01 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.33 -34.77 75.8 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.332 1.053 . . . . 73.33 110.505 172.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.86 -38.76 64.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.465 -0.788 . . . . 75.42 112.551 -177.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.76 81.6 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 122.997 0.519 . . . . 54.41 112.147 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -88.61 -55.35 3.75 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.469 0.708 . . . . 60.12 112.858 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.52 -49.73 10.96 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.176 0.806 . . . . 70.35 113.176 -169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.7 mp -49.96 -41.63 47.07 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.329 0.863 . . . . 61.35 113.329 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -63.18 -21.63 66.34 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 114.939 -1.028 . . . . 72.13 112.381 -173.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -112.27 -18.69 12.46 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 123.985 0.914 . . . . 75.03 111.977 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 mtm -76.39 150.74 36.75 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.492 0.663 . . . . 63.42 111.835 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 31.6 m-80 -87.35 163.98 16.5 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.133 -0.94 . . . . 63.42 110.918 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.2 tm-20 -51.21 -40.84 59.61 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.779 1.232 . . . . 74.32 112.011 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.02 -42.02 97.66 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.508 1.123 . . . . 74.13 113.035 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.73 -43.79 68.18 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.65 0.78 . . . . 72.41 110.631 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD22 ' HG ' ' A' ' 50' ' ' LEU . 28.9 mt -55.68 -31.56 62.51 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 114.581 -1.19 . . . . 65.21 113.388 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.11 -42.15 94.25 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.132 0.573 . . . . 74.34 112.037 173.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.57 -34.35 75.66 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 116.43 -0.35 . . . . 73.52 110.333 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 69.8 t80 -64.22 -37.33 87.08 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.893 0.477 . . . . 72.42 111.317 174.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.08 -40.93 91.24 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 123.472 0.709 . . . . 72.14 110.673 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.3 m -64.48 -34.06 77.33 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.382 0.673 . . . . 60.25 111.903 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 98' ' ' LEU . 38.9 tp -69.53 -36.28 76.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.969 0.508 . . . . 65.34 111.055 176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.0 mt -65.34 -35.77 81.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.613 0.765 . . . . 72.03 110.747 172.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -66.67 -21.57 66.1 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.828 1.251 . . . . 73.35 111.945 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -76.64 157.36 31.92 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 120.904 0.383 . . . . 64.42 111.527 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.0 125.36 28.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.532 0.733 . . . . 65.03 109.602 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.502 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.9 p-10 -42.97 -52.76 5.07 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.52 1.674 . . . . 75.43 115.52 -174.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -55.62 -45.24 77.56 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.316 0.487 . . . . 75.53 112.316 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -61.55 -47.6 84.78 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.778 0.431 . . . . 55.5 111.256 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 69' ' ' ASP . 57.4 mt -52.03 -45.61 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 C-N-CA 124.235 1.014 . . . . 71.44 111.38 175.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -66.89 -42.03 86.2 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.763 -1.108 . . . . 74.51 111.123 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.467 ' HD1' HD22 ' A' ' 79' ' ' ASN . 24.7 m-85 -68.98 -34.63 75.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.069 0.547 . . . . 75.41 111.848 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.441 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -68.65 -37.08 79.38 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 120.945 0.402 . . . . 74.34 110.521 174.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -75.56 -15.82 60.33 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 123.768 0.827 . . . . 71.45 112.948 177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -114.66 5.17 15.29 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.44 0.696 . . . . 72.35 112.807 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt 67.86 21.55 9.01 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 124.776 1.23 . . . . 73.23 114.252 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.467 HD22 ' HD1' ' A' ' 74' ' ' TYR . 76.8 m-20 -85.22 58.97 5.34 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.547 0.689 . . . . 64.12 110.779 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.08 -10.01 59.07 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.621 0.768 . . . . 75.34 112.363 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.13 -39.54 78.83 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.554 0.741 . . . . 62.14 111.964 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -91.6 -40.32 11.39 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 122.866 0.467 . . . . 74.13 111.221 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -126.62 97.22 33.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 C-N-CA 123.574 0.75 . . . . 55.32 109.808 172.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.55 152.52 80.59 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.492 2.128 . . . . 75.23 112.458 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 86' ' ' PRO . 31.0 tp -78.35 124.62 85.59 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 115.792 -0.64 . . . . 54.3 110.601 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 85' ' ' LEU . 91.7 Cg_endo -82.86 157.26 15.7 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.541 2.161 . . . . 71.02 111.786 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.79 -29.24 69.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.27 1.028 . . . . 75.25 112.512 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -61.53 -27.15 68.41 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 123.853 0.861 . . . . 73.32 113.242 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -111.81 -8.3 14.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 112.458 0.54 . . . . 71.12 112.458 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 1.1 12.75 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.304 0.854 . . . . 74.45 113.304 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -138.51 18.47 2.72 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.348 0.659 . . . . 70.15 111.059 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.7 t -86.27 130.08 34.64 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.79 0.836 . . . . 74.41 111.887 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.75 -43.42 72.3 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.132 0.573 . . . . 65.01 110.314 170.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.0 tp -50.27 -47.08 55.5 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.923 1.289 . . . . 64.44 113.063 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.8 tp -56.4 -46.4 80.16 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.902 0.881 . . . . 73.42 111.683 177.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.57 -33.28 68.95 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.221 -0.899 . . . . 62.44 111.377 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.05 -37.93 89.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.893 0.877 . . . . 75.44 110.877 171.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 64' ' ' LEU . 51.5 tp -67.27 -37.29 83.23 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.977 0.911 . . . . 73.2 111.313 177.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 78.9 mt-30 -70.34 -41.93 72.54 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.859 0.864 . . . . 71.41 111.843 176.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.43 -47.76 82.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.691 0.796 . . . . 61.11 110.466 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -57.94 -47.86 81.65 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.637 1.175 . . . . 73.33 111.383 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -53.98 -25.52 21.23 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.808 1.243 . . . . 74.52 113.658 -173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.5 -42.87 28.41 Favored 'General case' 0 CA--C 1.561 1.388 0 N-CA-C 112.721 0.637 . . . . 64.24 112.721 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -117.23 12.99 14.56 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 113.784 1.031 . . . . 74.22 113.784 -169.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -66.43 -17.03 64.55 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.462 1.653 . . . . 72.34 115.462 -174.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' HG3' ' HD2' ' A' ' 105' ' ' LYS . 48.5 mt-10 -120.63 4.25 10.63 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.429 0.692 . . . . 61.31 111.123 173.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 107' ' ' LYS . 7.2 mtpm? -114.07 10.11 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.05 0.94 . . . . 74.33 111.909 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.53 -167.24 1.82 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.306 1.043 . . . . 71.42 111.814 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.4 pt . . . . . 0 N--CA 1.483 1.175 0 C-N-CA 123.765 0.826 . . . . 75.15 111.387 173.234 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 120.694 0.283 . . . . 74.52 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.12 163.2 31.99 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.253 -0.43 . . . . 61.34 113.688 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -118.89 153.7 34.14 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.642 0.777 . . . . 73.25 110.751 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -71.93 108.2 5.06 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.944 0.498 . . . . 75.44 111.277 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -127.57 175.26 8.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.396 0.678 . . . . 75.12 112.126 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -71.52 133.1 45.59 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.723 0.809 . . . . 75.32 111.409 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -127.44 -29.03 2.72 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 113.168 0.803 . . . . 72.44 113.168 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.17 160.13 11.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 118.288 0.494 . . . . 75.11 111.742 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -137.68 175.24 9.77 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.538 0.735 . . . . 63.2 110.204 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -134.71 123.57 23.88 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.28 0.632 . . . . 74.21 110.925 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.0 OUTLIER -75.63 151.09 37.85 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.444 0.697 . . . . 62.15 110.355 175.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.46 122.04 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.029 0.532 . . . . 72.24 111.673 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 90.01 0.72 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.821 0.848 . . . . 73.42 110.103 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -67.93 -44.07 77.7 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.766 0.826 . . . . 74.31 111.367 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.9 p -113.55 135.58 53.74 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.313 0.645 . . . . 73.43 110.393 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -140.07 98.33 3.43 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 108.911 -0.774 . . . . 62.02 108.911 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 55.84 79.45 0.33 Allowed Pre-proline 0 CA--C 1.565 1.52 0 C-N-CA 125.207 1.403 . . . . 74.02 111.594 -165.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 50.3 Cg_exo -55.72 168.92 1.44 Allowed 'Trans proline' 0 C--N 1.384 2.399 0 C-N-CA 123.294 2.662 . . . . 74.21 112.948 166.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.09 -42.9 75.54 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.89 0.476 . . . . 74.42 111.818 -172.185 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.25 -30.82 63.73 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 112.433 0.531 . . . . 54.41 112.433 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 90.3 mttt -72.5 -32.5 66.21 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 122.215 -0.303 . . . . 61.34 111.454 172.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.5 tttp -65.63 -48.59 71.67 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.131 0.573 . . . . 65.15 109.662 172.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' HG13 ' A' ' 27' ' ' ILE . 37.2 ttm-85 -49.22 -51.27 34.16 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.882 1.273 . . . . 65.24 110.189 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.7 96.98 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.307 -0.86 . . . . 64.41 112.511 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -65.56 -33.01 74.92 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.385 0.674 . . . . 74.14 111.555 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 78.1 mt -71.01 -45.37 64.07 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.937 0.495 . . . . 71.03 110.689 175.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.627 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.7 mt -54.34 -40.58 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 123.82 0.848 . . . . 51.41 111.502 172.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -58.87 -50.73 72.89 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.796 0.838 . . . . 55.31 112.011 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.542 HE21 HD13 ' A' ' 65' ' ' LEU . 25.3 mt-30 -72.65 -14.94 61.7 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.647 0.61 . . . . 75.14 112.647 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.1 p -89.8 -30.8 17.72 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.059 0.544 . . . . 63.15 112.292 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -77.47 -10.38 59.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.906 0.482 . . . . 73.34 111.917 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -105.66 113.09 26.44 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.967 -0.753 . . . . 53.52 108.967 163.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 65' ' ' LEU . 14.5 mmt180 -149.42 145.9 27.18 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.087 0.955 . . . . 70.12 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.63 -27.3 73.53 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 114.504 0.562 . . . . 75.44 114.504 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -105.38 134.6 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 123.472 0.709 . . . . 71.0 110.285 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.86 -41.38 97.79 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 123.226 0.611 . . . . 74.3 112.368 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.97 -37.98 75.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.404 0.52 . . . . 71.25 112.404 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 69' ' ' ASP . 91.8 m -68.3 -35.65 78.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.15 0.58 . . . . 74.44 110.862 173.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.35 -56.72 15.66 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.207 1.003 . . . . 73.13 110.609 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.62 -28.28 68.36 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.542 0.737 . . . . 73.1 112.06 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 101' ' ' PHE . 49.2 tp -64.18 -58.85 5.4 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.268 0.627 . . . . 43.13 110.767 174.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 87.0 mt -74.6 -30.04 61.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.921 0.711 . . . . 72.51 112.921 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 t -62.55 -56.94 13.3 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.4 0.68 . . . . 74.25 111.734 176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -33.79 83.76 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 115.691 -0.686 . . . . 61.52 113.202 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.05 -42.15 93.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 63.33 110.401 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.08 -40.2 75.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.412 -0.813 . . . . 72.05 112.611 -176.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.86 83.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.258 0.466 . . . . 74.51 112.258 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -87.33 -55.71 3.69 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 115.652 -0.703 . . . . 70.42 112.74 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -79.96 -48.57 13.18 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 112.657 0.614 . . . . 64.45 112.657 -169.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.833 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.8 mp -55.99 -29.16 59.86 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.302 0.501 . . . . 73.41 112.345 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -54.99 -42.45 72.47 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.268 1.027 . . . . 73.52 111.7 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -106.7 -13.67 15.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.189 0.996 . . . . 75.33 113.022 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.48 ' SD ' HD23 ' A' ' 58' ' ' LEU . 46.7 ttm -69.26 146.42 52.3 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.636 1.174 . . . . 52.24 113.325 -171.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -73.48 155.69 38.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.71 0.804 . . . . 73.23 112.084 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.15 -43.5 61.24 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.751 1.62 . . . . 64.33 112.331 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.76 -46.93 80.08 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.918 -1.037 . . . . 62.22 111.887 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.7 -28.4 65.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.049 -0.978 . . . . 70.52 111.812 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' SD ' ' A' ' 53' ' ' MET . 68.9 mt -60.49 -37.12 80.04 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 122.904 0.482 . . . . 54.54 111.763 170.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -73.03 -30.51 63.8 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.75 0.42 . . . . 75.0 111.218 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.99 -34.71 78.36 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 121.132 0.491 . . . . 64.4 110.235 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -69.32 -36.15 76.68 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.39 0.676 . . . . 74.22 112.03 173.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.99 -40.49 73.39 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.76 0.824 . . . . 62.44 109.73 174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.9 m -60.62 -43.46 97.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.163 0.985 . . . . 61.24 112.186 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 tp -63.29 -29.09 70.47 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.045 0.938 . . . . 73.42 112.217 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.542 HD13 HE21 ' A' ' 29' ' ' GLN . 78.2 mt -70.6 -20.26 62.78 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.538 0.735 . . . . 54.54 112.728 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -87.06 -13.22 44.95 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.469 0.708 . . . . 64.31 111.764 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.74 163.53 25.31 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.684 0.624 . . . . 73.42 112.684 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.63 133.09 38.49 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.077 0.951 . . . . 73.52 112.106 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HA ' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -47.41 -68.87 0.15 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 115.527 1.677 . . . . 75.45 115.527 -174.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -56.77 -38.32 72.32 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 117.818 0.281 . . . . 71.35 111.547 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.83 -47.47 85.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.496 0.318 . . . . 61.31 111.277 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.73 -45.11 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 123.992 0.917 . . . . 72.54 111.505 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.51 -44.01 97.84 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.184 -0.917 . . . . 72.43 111.801 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HD1' ' HB2' ' A' ' 79' ' ' ASN . 67.2 m-85 -78.82 -26.44 44.24 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.856 0.687 . . . . 51.32 112.856 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.545 ' HA ' ' HE1' ' A' ' 80' ' ' PHE . 36.3 m0 -68.4 -40.59 81.23 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.338 0.59 . . . . 70.25 110.252 170.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -67.74 -38.87 84.11 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 114.868 -1.06 . . . . 62.51 112.295 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.9 p -87.23 -6.2 58.66 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 123.112 0.565 . . . . 72.01 112.352 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 64.21 21.84 12.66 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.048 1.339 . . . . 74.45 111.946 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' HB2' ' HD1' ' A' ' 74' ' ' TYR . 89.6 m-20 -92.89 78.87 4.69 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.16 0.984 . . . . 72.55 110.412 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.545 ' HE1' ' HA ' ' A' ' 75' ' ' TRP . 22.3 m-85 -82.79 10.18 8.22 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.272 0.841 . . . . 73.42 113.272 -173.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -61.07 -43.68 98.52 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.869 0.868 . . . . 75.11 112.45 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -95.39 -36.72 11.25 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.533 0.733 . . . . 50.2 110.887 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.4 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 38.8 m -135.03 87.64 28.83 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 124.126 0.971 . . . . 62.21 110.86 -170.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.518 ' HA ' ' HB3' ' A' ' 80' ' ' PHE . 32.4 Cg_exo -61.17 152.18 73.66 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.809 2.339 . . . . 73.23 113.374 175.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.7 122.85 82.65 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 123.379 0.672 . . . . 60.12 111.133 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.8 Cg_exo -74.17 154.07 46.57 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.799 2.333 . . . . 75.11 111.92 171.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.85 -30.53 65.87 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.168 0.987 . . . . 61.03 112.918 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.4 ptmt -55.36 -49.2 72.89 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.577 0.751 . . . . 72.01 112.597 175.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.58 -18.88 36.77 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.254 0.464 . . . . 62.51 112.254 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.83 50.69 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 113.347 0.869 . . . . 72.24 113.347 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -115.48 1.1 13.57 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.44 0.696 . . . . 75.24 112.375 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.8 m -73.38 131.94 42.44 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 112.892 0.701 . . . . 70.13 112.892 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -57.84 -43.81 86.1 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.396 1.079 . . . . 53.15 111.246 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -56.94 -46.71 81.88 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 114.957 -1.02 . . . . 74.14 112.963 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.68 -39.29 84.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.804 0.442 . . . . 74.54 111.776 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 100' ' ' GLU . 66.2 mttm -61.87 -41.33 97.72 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.336 0.654 . . . . 64.01 111.111 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.28 -35.72 78.29 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.109 0.964 . . . . 70.1 111.299 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.73 -38.89 84.15 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.994 0.918 . . . . 74.21 111.088 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -64.89 -38.09 89.81 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.742 0.817 . . . . 71.42 111.718 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 11.1 mm-40 -62.66 -39.7 94.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.804 0.442 . . . . 54.14 111.89 176.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.405 ' HD2' HD12 ' A' ' 41' ' ' LEU . 60.2 t80 -74.16 -45.72 46.81 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.85 -0.159 . . . . 73.32 111.281 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.616 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t -50.19 -54.19 22.65 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.254 1.021 . . . . 51.3 112.972 -176.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -77.31 -23.25 51.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.563 -0.744 . . . . 63.44 111.75 -175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -114.9 38.02 3.29 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.836 0.854 . . . . 64.21 111.588 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -68.84 87.95 0.37 Allowed 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.357 0.599 . . . . 73.32 109.835 171.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -122.75 21.41 10.01 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.009 -0.996 . . . . 75.43 111.174 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -72.78 75.77 1.13 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.043 0.925 . . . . 62.33 110.942 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -159.96 166.8 29.37 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.022 -1.445 . . . . 74.2 109.95 -176.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 122.165 0.984 . . . . 75.14 110.815 -178.279 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 110.575 -0.157 . . . . 72.25 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.46 136.96 2.1 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 121.711 -0.28 . . . . 42.53 113.696 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -103.08 80.03 1.81 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.525 0.73 . . . . 71.3 109.527 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -80.64 119.45 23.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.543 0.737 . . . . 72.52 110.893 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -65.41 139.16 58.51 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.006 0.522 . . . . 73.33 110.892 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -91.61 69.37 5.73 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.225 0.61 . . . . 74.31 111.048 -170.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -82.7 80.71 8.73 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.753 0.787 . . . . 63.31 111.534 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -136.36 121.78 19.39 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.812 0.845 . . . . 61.31 109.197 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m -65.09 -24.0 67.32 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.932 1.086 . . . . 74.4 113.932 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -70.72 -28.56 64.82 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 112.323 0.49 . . . . 74.43 112.323 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.93 121.13 24.5 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.814 0.446 . . . . 61.23 110.228 -178.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mm -81.2 106.97 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 123.378 0.671 . . . . 72.45 111.168 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.86 88.54 2.68 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.336 1.054 . . . . 43.52 110.098 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -70.49 -46.01 64.57 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 115.485 -0.779 . . . . 75.35 112.202 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -71.8 84.98 0.93 Allowed 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 121.529 0.68 . . . . 62.12 111.056 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -119.45 44.38 2.38 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.377 1.071 . . . . 72.34 108.722 172.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -96.49 109.92 50.29 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 124.515 1.126 . . . . 61.53 111.509 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 72.0 Cg_endo -75.48 164.01 33.26 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.292 1.995 . . . . 73.22 111.132 158.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.91 -27.98 69.22 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.22 0.608 . . . . 71.04 110.025 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.93 -30.09 71.29 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.664 0.786 . . . . 55.01 112.968 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 39.3 mttp -71.84 -27.88 63.19 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.276 0.489 . . . . 70.14 111.901 173.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 78.4 tttt -68.48 -50.75 50.04 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 109.91 -0.404 . . . . 72.41 109.91 171.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.6 -42.47 78.81 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.634 0.774 . . . . 74.3 111.634 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.601 0.76 . . . . 65.2 111.72 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -60.77 -41.38 95.36 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.96 0.904 . . . . 64.02 111.437 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.1 mt -71.38 -44.12 65.57 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.007 0.523 . . . . 51.21 111.964 -175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.571 HG12 ' HB1' ' A' ' 46' ' ' ALA . 57.7 mt -62.68 -29.5 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.615 0 C-N-CA 123.006 0.522 . . . . 72.31 110.848 171.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -73.39 -40.02 64.64 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.792 0.837 . . . . 75.31 112.4 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.672 ' HB2' HD13 ' A' ' 65' ' ' LEU . 25.0 mt-30 -76.39 -14.68 60.06 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.224 0.609 . . . . 64.52 111.778 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.4 p -87.0 -17.83 32.07 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.449 0.7 . . . . 55.51 111.128 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.96 -20.92 29.84 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.325 0.65 . . . . 74.01 111.281 171.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.49 111.46 23.56 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 108.559 -0.904 . . . . 72.24 108.559 171.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 5.0 mmp_? -147.29 156.06 42.59 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.708 0.803 . . . . 74.44 110.525 -171.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.8 -35.42 35.68 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-N 115.832 -0.622 . . . . 71.02 113.818 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG12 ' HB3' ' A' ' 69' ' ' ASP . 48.9 pt -128.18 154.89 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 CA-C-N 117.546 0.673 . . . . 72.12 111.722 175.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.9 tp -73.27 -28.86 62.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.867 0.867 . . . . 73.31 112.795 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.5 -38.35 84.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 122.002 -0.436 . . . . 75.33 112.105 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.8 m -73.49 -28.53 61.97 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.898 0.479 . . . . 70.13 111.142 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t70 -64.82 -48.31 74.85 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.786 0.434 . . . . 71.23 111.731 171.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.05 -28.31 68.11 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.197 0.599 . . . . 71.24 111.1 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 tp -73.03 -57.53 3.97 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.777 0.831 . . . . 73.44 111.386 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD11 HD13 ' A' ' 72' ' ' ILE . 57.6 mt -76.51 -46.57 26.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.615 0.968 . . . . 72.33 113.615 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.9 t -69.17 -31.06 69.45 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 118.43 0.559 . . . . 70.43 111.624 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.02 -45.38 73.1 Favored Glycine 0 CA--C 1.541 1.661 0 CA-C-O 121.405 0.447 . . . . 62.33 112.355 169.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.39 -33.68 71.51 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.51 1.124 . . . . 73.12 110.829 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.98 -39.02 63.97 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.685 0.794 . . . . 74.03 112.391 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.9 -32.84 67.81 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 112.121 0.415 . . . . 73.35 112.121 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -88.98 -56.9 3.1 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 123.143 0.577 . . . . 73.42 112.224 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -80.8 -41.75 22.82 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 113.35 0.87 . . . . 75.5 113.35 -169.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 46' ' ' ALA . 8.0 mp -60.45 -21.04 61.86 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.031 0.752 . . . . 74.23 113.031 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.33 -26.74 68.6 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.049 0.94 . . . . 64.35 112.427 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -114.51 -13.77 12.17 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.986 0.915 . . . . 72.05 112.382 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.534 ' SD ' HD23 ' A' ' 58' ' ' LEU . 59.0 ttm -71.14 130.72 42.21 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 124.345 1.058 . . . . 60.14 113.824 -167.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -83.23 167.05 18.05 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.958 0.903 . . . . 62.1 111.88 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -52.69 -44.2 66.13 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 124.732 1.213 . . . . 72.12 112.649 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.05 -40.08 88.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.516 1.127 . . . . 61.41 112.725 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -78.43 -31.53 48.16 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.851 0.86 . . . . 72.34 111.295 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD23 ' SD ' ' A' ' 53' ' ' MET . 77.5 mt -65.34 -45.0 85.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.46 1.104 . . . . 72.12 111.848 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.49 -29.16 68.52 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.878 0.37 . . . . 73.55 111.53 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.66 -43.24 80.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.944 -0.571 . . . . 72.44 110.498 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.419 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 58.7 t80 -62.51 -36.88 83.95 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.271 0.629 . . . . 75.12 111.617 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 65' ' ' LEU . 25.7 t70 -56.94 -47.61 80.24 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.982 0.513 . . . . 75.13 110.749 174.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.5 m -54.31 -40.21 67.73 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.64 0.776 . . . . 74.33 111.856 177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 HD22 ' A' ' 98' ' ' LEU . 32.2 tp -66.78 -34.36 77.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.001 0.92 . . . . 70.34 111.846 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 29' ' ' GLN . 38.5 mt -70.47 -27.77 64.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.648 0.779 . . . . 61.42 111.753 176.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -84.22 -3.48 58.21 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.106 0.562 . . . . 63.05 112.022 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -84.22 164.45 19.09 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.177 0.513 . . . . 64.43 110.608 173.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.76 133.23 35.62 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 116.057 -0.52 . . . . 71.35 110.568 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' HB3' HG12 ' A' ' 35' ' ' ILE . 7.9 m-20 -46.63 -58.7 3.58 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.066 1.506 . . . . 71.42 115.066 -172.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -59.78 -35.24 74.25 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.397 -0.335 . . . . 74.33 111.56 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.15 -47.26 71.56 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.148 0.579 . . . . 74.41 110.869 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 42' ' ' LEU . 72.4 mt -50.88 -47.24 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 124.447 1.099 . . . . 72.43 110.463 171.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -67.59 -38.84 84.62 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.031 -1.441 . . . . 71.44 111.916 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -71.16 -42.24 69.37 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.201 0.6 . . . . 75.13 111.449 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -63.56 -34.63 78.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.161 0.505 . . . . 73.53 110.471 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 99' ' ' GLN . . . -71.14 -32.18 68.63 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.809 0.844 . . . . 60.44 112.742 175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -102.04 11.92 37.66 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 123.613 0.765 . . . . 74.52 112.222 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 84.9 tttt 55.07 70.91 0.58 Allowed 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.984 1.313 . . . . 74.32 112.492 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -140.54 102.45 4.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.806 0.842 . . . . 65.32 109.014 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.76 5.17 15.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.633 0.773 . . . . 72.21 111.733 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.65 -40.2 63.91 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.032 0.933 . . . . 71.34 110.789 173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -97.38 -33.53 11.38 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.478 0.711 . . . . 72.32 111.968 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 m -134.98 92.9 17.92 Favored Pre-proline 0 N--CA 1.489 1.49 0 C-N-CA 123.286 0.634 . . . . 73.23 110.695 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.24 154.14 69.76 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.1 2.533 . . . . 72.32 112.994 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.94 123.35 66.37 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 123.148 0.579 . . . . 63.13 111.713 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.498 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 16.4 Cg_exo -70.18 153.08 67.34 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.694 2.263 . . . . 75.2 112.639 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.14 -32.59 68.3 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.032 0.933 . . . . 64.24 112.183 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 62.6 pttt -63.36 -25.43 68.29 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.527 0.731 . . . . 75.13 112.436 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.479 ' HB3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 -100.75 -26.63 13.72 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.192 0.597 . . . . 74.41 112.217 175.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.15 -31.71 71.44 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.381 0.672 . . . . 74.34 112.543 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -105.27 2.12 28.7 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.434 0.694 . . . . 70.42 112.303 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 t -81.79 128.26 33.83 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 112.81 0.67 . . . . 75.42 112.81 -171.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -60.51 -38.44 84.37 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.29 1.036 . . . . 60.4 110.823 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.07 -48.25 80.7 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.994 0.918 . . . . 73.22 112.471 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 89' ' ' TRP . 27.9 tp -62.06 -40.16 94.85 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.806 0.442 . . . . 63.4 111.272 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.31 -49.47 76.89 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.515 0.726 . . . . 70.01 110.613 177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.208 1.003 . . . . 71.31 111.711 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.44 HD22 HD21 ' A' ' 64' ' ' LEU . 35.6 tp -67.55 -44.59 77.93 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.76 0.824 . . . . 65.31 111.522 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 79.3 mt-30 -64.91 -37.57 88.07 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.575 0.75 . . . . 64.32 111.388 175.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.7 -35.31 79.83 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.406 0.683 . . . . 73.23 111.098 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -71.8 -34.75 69.65 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.518 0.327 . . . . 71.22 110.713 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.449 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 64.5 m -60.66 -32.75 71.93 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 122.746 0.419 . . . . 72.44 111.313 175.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.56 -33.34 60.63 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.6 -0.727 . . . . 72.22 111.576 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.492 ' HB3' ' HB3' ' A' ' 108' ' ' GLU . 46.8 m-80 -117.96 39.36 3.4 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.219 1.007 . . . . 73.42 113.016 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -67.29 -55.5 13.64 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.426 0.632 . . . . 75.41 110.375 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -124.93 14.99 8.56 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.59 1.156 . . . . 50.14 110.027 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -117.28 -9.84 10.88 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 113.519 0.933 . . . . 71.5 113.519 -168.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 104' ' ' ASN . 0.8 OUTLIER -66.71 132.23 47.66 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.393 0.677 . . . . 71.23 111.205 -177.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.496 1.87 0 C-N-CA 123.845 0.858 . . . . 73.1 111.9 -177.831 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 CA--C 1.566 1.564 0 CA-C-O 118.531 -0.747 . . . . 61.21 109.581 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.47 27.46 58.34 Favored Glycine 0 C--N 1.365 2.183 0 N-CA-C 116.981 1.552 . . . . 55.5 116.981 168.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -79.47 -81.86 0.11 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.019 0.91 . . . . 60.34 111.121 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -92.35 80.62 4.94 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 109.112 -0.699 . . . . 75.14 109.112 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -104.51 146.86 28.27 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.747 0.819 . . . . 73.15 112.44 -170.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -131.94 -78.43 0.51 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.665 0.786 . . . . 61.03 109.812 169.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -141.77 -79.56 0.25 Allowed 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.337 0.655 . . . . 63.04 111.051 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 58.54 -163.54 0.21 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.896 0.879 . . . . 70.32 110.95 -168.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m 67.85 -173.56 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 113.48 0.919 . . . . 43.2 113.48 170.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -89.97 -46.55 8.44 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.108 0.563 . . . . 74.42 111.715 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.8 mmt 63.05 178.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.718 1.207 . . . . 64.45 113.355 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.53 145.74 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 C-N-CA 123.97 0.908 . . . . 61.33 110.235 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -74.59 94.09 2.6 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.863 0.865 . . . . 63.53 111.138 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -94.76 -27.99 15.51 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.38 0.672 . . . . 71.12 112.286 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -73.45 110.14 7.51 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.99 0.516 . . . . 54.23 111.064 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -150.93 -176.6 5.59 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.569 0.748 . . . . 65.21 111.12 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -101.1 117.65 61.89 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 122.901 0.48 . . . . 70.41 109.711 166.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' HD2' ' HD3' ' A' ' 21' ' ' LYS . 51.0 Cg_exo -55.35 154.0 25.64 Favored 'Trans proline' 0 C--N 1.388 2.637 0 C-N-CA 123.133 2.555 . . . . 73.43 112.537 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.408 HD11 ' HG2' ' A' ' 55' ' ' GLU . 4.3 mm? -60.28 -28.7 68.29 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.304 0.853 . . . . 72.32 113.304 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.98 -47.81 81.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.262 0.625 . . . . 73.41 111.235 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HD3' ' HD2' ' A' ' 18' ' ' PRO . 52.1 mtpt -74.18 -29.58 61.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.297 0.639 . . . . 34.14 112.158 177.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.49 -53.76 11.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.954 0.902 . . . . 64.23 110.134 -177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 34.9 ttp-105 -55.78 -41.18 73.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.289 1.036 . . . . 73.12 111.375 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.67 95.46 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.088 0.555 . . . . 64.25 111.631 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.85 -32.47 73.01 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.255 1.022 . . . . 62.41 111.867 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 50' ' ' LEU . 93.5 mt -74.89 -44.11 50.68 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.945 0.498 . . . . 51.13 111.58 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.758 HG12 ' HB1' ' A' ' 46' ' ' ALA . 53.7 mt -62.51 -33.47 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 121.122 0.486 . . . . 74.41 110.587 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 123.944 0.898 . . . . 54.43 111.953 170.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 26.6 mt-30 -74.52 -17.15 60.79 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.12 0.568 . . . . 64.25 112.377 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.5 p -83.75 -26.41 29.7 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.77 0.428 . . . . 70.34 111.229 173.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 76.5 mtp180 -85.58 -9.65 57.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 123.275 0.63 . . . . 73.34 111.514 174.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -107.59 111.22 23.36 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.47 -0.567 . . . . 73.15 109.47 164.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.682 ' HD2' HD12 ' A' ' 42' ' ' LEU . 4.6 mmp_? -138.09 -168.26 2.32 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.283 1.033 . . . . 74.14 110.133 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.38 -44.89 3.37 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 116.091 -0.504 . . . . 74.53 112.657 173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 38' ' ' THR . 42.9 pt -117.71 150.92 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 123.557 0.743 . . . . 74.21 110.84 177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.81 -19.87 61.93 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.329 0.651 . . . . 72.44 112.71 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -66.09 -43.9 85.96 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.818 0.281 . . . . 70.32 111.48 171.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' H ' HG13 ' A' ' 35' ' ' ILE . 24.5 m -73.44 -29.79 62.78 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.248 0.219 . . . . 45.01 111.179 177.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -57.62 -58.14 9.63 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 117.851 0.296 . . . . 73.14 111.055 168.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.3 -31.75 72.39 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.432 0.693 . . . . 75.52 112.054 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -69.01 -60.24 2.49 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.256 0.623 . . . . 50.12 111.134 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 33' ' ' ARG . 40.4 mt -74.47 -33.21 62.82 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.574 0.953 . . . . 63.12 113.574 -173.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -70.54 -37.07 74.0 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 118.234 0.47 . . . . 61.23 111.557 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -41.82 89.07 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 121.438 0.465 . . . . 40.15 112.045 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -60.98 -33.63 73.51 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.449 1.1 . . . . 75.34 110.338 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.34 -40.34 64.5 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.465 0.706 . . . . 70.3 112.237 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.13 74.94 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.188 0.518 . . . . 62.33 112.05 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -87.87 -54.62 4.15 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.581 0.752 . . . . 65.11 112.544 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -82.59 -41.32 19.68 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.935 1.087 . . . . 71.24 113.935 -170.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -60.59 -22.1 63.36 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-N 119.182 0.901 . . . . 74.24 111.995 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 -29.93 70.79 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 124.056 0.942 . . . . 63.01 112.068 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -118.45 -24.06 6.96 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.292 1.219 . . . . 63.1 114.292 -177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.0 mtm -71.43 148.48 46.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 112.921 0.711 . . . . 61.12 112.921 -170.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -81.85 166.93 19.52 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.656 -1.156 . . . . 72.4 111.284 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 19' ' ' LEU . 43.5 mt-10 -50.22 -46.34 54.58 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.269 1.028 . . . . 75.23 112.692 -177.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.51 -36.22 83.48 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.724 0.81 . . . . 65.55 112.81 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.08 -40.04 68.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.468 0.707 . . . . 53.22 111.34 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -60.23 -44.98 94.74 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 113.71 1.004 . . . . 62.41 113.71 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.86 -26.2 60.44 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.95 -0.469 . . . . 63.33 111.404 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.92 -37.33 78.87 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 120.956 0.407 . . . . 73.43 110.436 168.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 55.2 t80 -64.61 -34.31 77.97 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.391 0.676 . . . . 72.24 111.201 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 65' ' ' LEU . 53.6 t0 -56.99 -46.99 81.85 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.227 0.611 . . . . 71.04 109.96 172.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -59.33 -34.35 72.24 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.463 0.705 . . . . 72.2 112.651 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 HD22 ' A' ' 98' ' ' LEU . 41.6 tp -67.82 -35.14 78.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.414 0.685 . . . . 71.44 111.237 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 37.5 mt -70.76 -23.19 62.37 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.855 0.862 . . . . 73.22 111.428 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -88.6 7.43 33.38 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.1 0.56 . . . . 74.11 112.103 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -92.22 171.68 8.91 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.499 0.666 . . . . 71.34 112.436 174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.34 128.91 35.1 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 114.945 -1.025 . . . . 63.35 110.973 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -53.34 -53.09 56.08 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.003 1.321 . . . . 72.43 114.494 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -60.49 -35.99 77.26 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 111.887 0.328 . . . . 73.44 111.887 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.98 -51.48 66.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.654 0.382 . . . . 73.21 110.702 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 42' ' ' LEU . 64.9 mt -50.3 -44.89 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.108 0.963 . . . . 74.11 111.283 174.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -67.88 -43.23 79.83 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.821 -1.081 . . . . 72.02 111.903 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.497 ' HB3' ' HA ' ' A' ' 80' ' ' PHE . 30.9 m-85 -76.55 -28.43 56.29 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 112.933 0.716 . . . . 75.31 112.933 -177.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.615 ' HB3' HD11 ' A' ' 95' ' ' LEU . 30.6 m0 -68.52 -43.5 76.62 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 109.815 -0.439 . . . . 71.51 109.815 173.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -63.38 -52.56 61.16 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.365 1.066 . . . . 65.22 112.273 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.7 p -68.85 -16.13 63.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.363 0.665 . . . . 61.32 111.959 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt 64.4 21.16 12.41 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 125.103 1.361 . . . . 74.03 111.256 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -76.45 -52.76 9.2 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.689 -0.856 . . . . 75.44 108.689 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 74' ' ' TYR . 97.3 m-85 65.28 -79.13 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.795 1.638 . . . . 75.22 110.563 -173.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 83.1 tttt 51.41 -74.82 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.804 2.042 . . . . 75.2 113.805 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -96.33 -24.46 16.17 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.137 0.975 . . . . 43.31 111.686 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -112.66 96.98 39.27 Favored Pre-proline 0 N--CA 1.482 1.16 0 C-N-CA 124.394 1.078 . . . . 70.54 110.841 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.06 169.84 20.82 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.98 2.454 . . . . 55.24 113.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 tp -89.16 120.13 69.8 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 122.791 0.436 . . . . 64.21 111.519 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -71.63 166.64 28.79 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 123.215 2.61 . . . . 74.13 113.011 173.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.99 -41.11 87.32 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.97 0.908 . . . . 44.54 112.317 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -67.45 -13.97 62.51 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.601 0.761 . . . . 72.13 113.011 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -105.65 -15.85 14.85 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.398 0.679 . . . . 61.24 112.13 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.17 118.43 8.57 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 109.867 -0.419 . . . . 41.01 109.867 170.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 71.41 26.86 3.2 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 125.696 1.599 . . . . 41.21 112.501 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 t -80.64 130.23 34.98 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.052 0.541 . . . . 62.31 111.776 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.76 -43.78 95.38 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.116 0.566 . . . . 74.14 110.705 174.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 61' ' ' TYR . 41.7 tp -57.87 -40.5 80.36 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.291 1.036 . . . . 75.13 111.749 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 75' ' ' TRP . 47.7 tp -62.05 -48.29 80.91 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.748 -0.66 . . . . 63.54 111.244 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -58.75 -41.57 86.82 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.654 0.781 . . . . 62.51 111.498 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.52 -43.25 93.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.525 1.13 . . . . 72.25 111.584 173.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 64' ' ' LEU . 37.6 tp -70.04 -36.77 75.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.062 0.945 . . . . 73.34 112.141 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.65 -49.57 62.22 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.567 0.747 . . . . 62.15 112.186 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -70.14 -27.63 64.71 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.868 0.467 . . . . 65.34 110.784 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.93 -50.74 65.26 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.801 0.441 . . . . 74.3 110.802 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.438 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 37.4 t -55.0 -28.48 52.3 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.472 0.709 . . . . 71.1 112.502 -177.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.32 -44.73 71.12 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 123.722 0.809 . . . . 70.33 111.89 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -116.84 22.6 12.53 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.083 0.953 . . . . 62.12 112.82 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.4 -29.32 70.39 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.452 1.279 . . . . 74.01 114.452 -169.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -115.2 20.06 15.19 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.64 0.776 . . . . 73.24 111.509 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -93.06 77.84 4.64 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.435 0.635 . . . . 73.45 111.493 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -107.29 -175.4 2.78 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.436 0.695 . . . . 72.23 109.539 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.494 1.768 0 C-N-CA 123.569 0.748 . . . . 73.02 111.856 177.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 mtt . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.407 0.146 . . . . 71.14 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.66 -175.02 40.71 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 114.521 0.568 . . . . 74.52 114.521 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 69.1 1.6 3.27 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 125.261 1.425 . . . . 60.3 114.304 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -144.92 -7.35 0.65 Allowed 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 113.749 1.018 . . . . 74.11 113.749 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -76.88 -42.52 39.5 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.72 0.637 . . . . 72.54 112.72 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.0 m80 64.53 31.19 12.53 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 124.241 1.016 . . . . 74.22 112.862 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -70.58 88.3 0.68 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 121.633 0.73 . . . . 73.33 109.561 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -78.4 -17.68 56.07 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.975 0.91 . . . . 71.11 113.094 -173.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t 59.95 -166.19 0.19 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.203 1.001 . . . . 50.55 111.197 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -134.23 146.16 49.84 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.463 0.705 . . . . 62.42 110.006 171.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.8 mtt -111.98 -170.46 1.66 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.746 0.818 . . . . 75.41 110.049 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.1 92.11 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 C-N-CA 123.042 0.537 . . . . 64.24 110.134 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -102.35 140.03 37.17 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.093 0.957 . . . . 70.5 110.536 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.7 mtt85 56.27 82.79 0.1 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.106 1.362 . . . . 71.24 113.014 174.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -137.34 136.34 37.85 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.557 -0.747 . . . . 74.14 110.893 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.97 -50.06 6.92 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.645 0.736 . . . . 71.43 109.463 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 38.6 tt0 -131.86 101.03 15.59 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.36 1.064 . . . . 74.02 110.338 177.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.16 160.89 17.63 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.341 2.027 . . . . 62.0 111.635 159.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -28.6 70.05 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.106 0.562 . . . . 74.05 111.34 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.2 -41.93 94.01 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.623 0.769 . . . . 74.32 111.496 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . 93.0 mttt -67.35 -37.27 82.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 111.949 0.351 . . . . 75.1 111.949 175.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -60.3 -49.83 76.05 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 122.588 0.355 . . . . 64.24 110.996 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 58.3 ttp85 -53.7 -50.31 66.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.74 0.816 . . . . 73.42 111.395 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.83 95.4 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 123.097 0.559 . . . . 64.23 112.493 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -63.93 -42.76 97.26 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.47 0.708 . . . . 74.24 111.723 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -44.66 91.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.054 0.541 . . . . 72.43 111.729 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' ARG . 79.3 mt -55.86 -42.81 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 122.904 0.482 . . . . 64.21 110.763 173.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.94 -46.46 90.61 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.218 0.607 . . . . 74.52 111.907 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.573 ' HB2' HD13 ' A' ' 65' ' ' LEU . 44.3 mt-30 -71.81 -15.52 62.15 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 123.427 0.691 . . . . 72.34 112.16 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.7 m -78.99 -40.31 31.87 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.061 0.944 . . . . 61.41 111.051 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 64.3 mtp180 -80.06 -14.34 58.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.126 -0.943 . . . . 65.21 110.816 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -86.78 111.2 20.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 107.352 -1.351 . . . . 62.3 107.352 170.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' HD3' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -154.38 150.25 27.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 120.919 0.39 . . . . 54.11 111.549 -172.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.66 -42.14 40.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.811 -0.632 . . . . 65.14 113.758 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' ' 69' ' ' ASP . 37.6 pt -116.27 154.25 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.842 0.457 . . . . 72.53 111.44 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.46 -24.29 60.2 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.058 0.943 . . . . 71.31 112.772 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -64.53 -53.24 51.14 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.371 0.605 . . . . 72.12 111.433 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.443 ' H ' HG13 ' A' ' 35' ' ' ILE . 39.1 m -72.93 -29.65 63.28 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.843 0.857 . . . . 62.21 111.319 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.52 -58.91 5.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.492 0.717 . . . . 71.2 112.041 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.61 -27.73 67.93 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.232 0.613 . . . . 74.42 111.762 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 tp -64.45 -59.68 4.05 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 123.831 0.852 . . . . 71.45 111.648 175.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 ' HD3' ' A' ' 33' ' ' ARG . 79.9 mt -75.59 -32.54 60.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 74.03 113.153 -176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.0 t -62.81 -47.11 84.85 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 123.031 0.532 . . . . 75.24 110.882 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.72 93.44 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 115.456 -0.793 . . . . 64.31 112.871 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -61.51 -41.74 97.77 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.799 0.839 . . . . 71.45 111.254 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.81 -40.13 72.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.148 0.579 . . . . 55.32 112.419 -177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.52 -25.92 64.27 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.295 0.638 . . . . 74.24 112.237 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -92.04 -54.21 3.93 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.673 0.789 . . . . 74.4 112.841 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -82.01 -46.2 14.29 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.045 1.128 . . . . 75.31 114.045 -168.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.6 mp -54.63 -20.49 8.21 Favored 'General case' 0 N--CA 1.509 2.507 0 N-CA-C 113.74 1.015 . . . . 73.42 113.74 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 75.6 mmtt -55.33 -42.48 73.85 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.971 0.908 . . . . 72.03 112.45 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HD3' ' HB2' ' A' ' 51' ' ' LYS . 3.3 mppt? -113.88 -22.57 10.07 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.427 0.691 . . . . 73.25 112.619 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.6 ttp -70.25 133.56 47.15 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 123.476 0.71 . . . . 63.23 112.159 -170.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 m120 -70.07 160.02 32.77 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.001 1.111 . . . . 73.33 114.001 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.4 mp0 -48.79 -51.41 29.36 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 126.224 1.81 . . . . 42.05 112.061 -177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.63 -36.49 83.86 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.835 -1.53 . . . . 55.44 112.666 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.11 -32.22 68.75 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.382 0.673 . . . . 75.33 111.19 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 50' ' ' LEU . 44.7 mt -64.72 -32.37 74.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.126 0.971 . . . . 62.35 112.194 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.2 -28.81 60.14 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.025 0.53 . . . . 73.42 111.742 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -68.75 -34.62 75.9 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.98 -0.378 . . . . 74.11 109.98 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.8 t80 -66.64 -38.5 87.0 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.0 0.37 . . . . 63.31 112.0 175.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.34 -40.36 81.96 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.36 0.664 . . . . 65.02 110.8 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 m -58.79 -41.85 87.7 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.569 0.748 . . . . 34.03 111.718 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 98' ' ' LEU . 33.4 tp -69.09 -34.95 75.93 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.467 0.707 . . . . 73.2 111.613 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 29' ' ' GLN . 84.6 mt -69.98 -18.95 63.36 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.215 0.606 . . . . 74.44 111.576 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.31 -0.91 52.34 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.122 0.969 . . . . 65.33 112.212 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.04 169.37 18.31 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.341 0.657 . . . . 63.3 111.332 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.51 140.47 44.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.121 0.568 . . . . 55.41 111.35 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' ' 35' ' ' ILE . 25.2 m-20 -51.39 -69.27 0.12 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.559 1.144 . . . . 74.41 113.497 -172.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -54.34 -36.81 64.2 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.323 0.649 . . . . 71.5 112.701 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.62 -49.47 76.45 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.652 0.781 . . . . 63.1 111.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.32 -43.84 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 C-N-CA 123.655 0.782 . . . . 65.11 110.973 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -65.21 -46.57 80.17 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.801 -1.09 . . . . 73.51 111.72 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -70.04 -33.12 71.56 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.704 0.631 . . . . 74.43 112.704 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -66.84 -39.88 87.78 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 121.081 0.467 . . . . 70.35 110.667 174.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 102' ' ' SER . . . -70.72 -34.42 71.88 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 115.538 -0.756 . . . . 51.54 111.934 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.4 p -98.69 15.21 25.96 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.603 0.761 . . . . 64.14 112.606 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 tttp 67.47 4.84 3.98 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 124.197 0.999 . . . . 74.2 113.222 172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -88.1 69.87 9.29 Favored 'General case' 0 CA--C 1.561 1.372 0 O-C-N 120.9 -1.125 . . . . 71.31 110.626 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -81.09 -11.43 59.49 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.756 0.822 . . . . 71.2 113.04 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -57.28 -44.27 83.86 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 123.381 0.673 . . . . 45.33 111.623 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -86.25 -41.81 14.3 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.056 -0.975 . . . . 40.45 111.852 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 m -126.63 94.93 39.05 Favored Pre-proline 0 N--CA 1.493 1.713 0 C-N-CA 123.088 0.555 . . . . 55.22 110.784 174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -61.13 151.19 80.42 Favored 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 123.016 2.477 . . . . 64.12 112.98 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -82.5 119.99 75.84 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 122.659 0.384 . . . . 71.34 110.887 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.618 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 7.1 Cg_exo -74.26 157.89 45.47 Favored 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 122.795 2.33 . . . . 75.44 112.445 173.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.49 -31.48 70.51 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.186 0.994 . . . . 74.01 112.14 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.618 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -61.18 -26.51 67.76 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.092 0.957 . . . . 54.14 113.315 178.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -107.17 -10.77 15.77 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 112.671 0.619 . . . . 73.11 112.671 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.09 71.4 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.689 0.795 . . . . 50.55 113.114 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.83 4.74 21.98 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.452 0.701 . . . . 75.21 112.33 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -73.59 126.58 30.59 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.279 0.632 . . . . 74.4 112.663 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -52.96 -48.35 67.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.574 1.149 . . . . 64.32 111.324 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -52.55 -47.22 66.9 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.085 1.354 . . . . 54.43 113.789 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.51 -41.63 98.96 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.385 -0.371 . . . . 71.55 111.466 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -37.5 87.02 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.3 -0.409 . . . . 51.44 110.826 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.8 -42.51 93.61 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.634 0.774 . . . . 72.34 111.273 171.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 64' ' ' LEU . 42.9 tp -67.7 -39.92 84.35 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.188 0.995 . . . . 75.33 111.615 -177.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.27 -38.91 82.21 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.699 0.8 . . . . 74.34 111.49 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -61.68 -43.27 99.18 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.247 0.619 . . . . 71.31 111.12 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -69.87 -44.6 69.48 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.352 -0.385 . . . . 65.24 111.87 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.445 ' HB2' ' HB1' ' A' ' 76' ' ' ALA . 35.2 t -51.95 -50.52 61.03 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.891 0.876 . . . . 63.2 112.895 -173.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -75.21 -34.67 61.5 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 122.851 0.46 . . . . 72.2 111.679 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -111.92 40.12 2.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 74.25 112.516 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.39 -59.57 4.52 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.023 0.439 . . . . 55.01 110.183 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -146.04 -74.8 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.69 1.196 . . . . 53.13 108.904 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.27 101.73 3.41 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 124.471 1.108 . . . . 72.11 110.659 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -160.99 178.04 9.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.493 0.717 . . . . 73.42 111.312 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 N--CA 1.481 1.094 0 C-N-CA 123.009 0.523 . . . . 60.15 110.669 175.817 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 110.837 -0.061 . . . . 73.55 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.52 72.33 0.09 OUTLIER Glycine 0 C--N 1.349 1.3 0 O-C-N 123.163 0.29 . . . . 65.1 112.667 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -102.51 163.47 12.21 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.195 0.522 . . . . 73.11 111.814 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -142.05 165.74 26.63 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.057 0.943 . . . . 64.14 110.297 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -83.95 153.28 24.0 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.237 0.615 . . . . 73.32 110.805 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -76.0 82.77 2.88 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 121.406 0.622 . . . . 73.24 109.931 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -97.27 71.63 2.39 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 121.63 0.729 . . . . 72.43 110.705 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -162.24 11.69 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.015 -0.993 . . . . 73.24 110.821 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -88.64 170.77 10.53 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.384 0.674 . . . . 72.51 111.576 -175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -82.05 90.77 6.54 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 122.961 0.505 . . . . 74.33 111.108 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ttt -145.43 75.02 1.42 Allowed 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.872 0.844 . . . . 63.05 111.506 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -100.82 75.79 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 N-CA-C 107.451 -1.314 . . . . 41.31 107.451 165.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -109.65 -30.3 7.96 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.358 -0.837 . . . . 65.14 112.387 -169.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -68.2 107.59 2.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.472 0.545 . . . . 73.34 112.472 -175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -115.02 162.54 16.85 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.206 1.003 . . . . 55.14 108.357 165.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 72.6 164.29 0.28 Allowed 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 124.403 1.081 . . . . 73.22 112.107 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 50.69 62.82 10.93 Favored Pre-proline 0 CA--C 1.561 1.389 0 CA-C-N 115.183 -0.917 . . . . 65.44 109.536 -161.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -61.42 143.85 97.82 Favored 'Trans proline' 0 C--N 1.392 2.817 0 C-N-CA 122.67 2.247 . . . . 73.45 111.572 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' A' ' 55' ' ' GLU . 3.8 mm? -57.66 -32.07 66.94 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.182 0.593 . . . . 71.52 112.222 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.88 -49.81 76.37 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 123.699 0.8 . . . . 74.12 110.726 173.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -77.61 -27.04 51.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.244 1.018 . . . . 72.42 112.83 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HZ2' HD11 ' A' ' 26' ' ' LEU . 52.7 tttm -71.9 -45.81 59.93 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.145 -0.687 . . . . 52.33 109.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HA ' HD23 ' A' ' 50' ' ' LEU . 98.7 mtt180 -57.92 -47.1 83.85 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.091 -0.959 . . . . 64.52 110.511 172.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -43.66 88.81 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.92 0.488 . . . . 71.22 111.803 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -69.52 -38.51 77.59 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.386 1.074 . . . . 74.25 112.239 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.63 HD11 ' HZ2' ' A' ' 22' ' ' LYS . 85.2 mt -72.65 -44.86 61.32 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.412 0.285 . . . . 52.24 111.104 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -61.98 -31.02 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 123.615 0.766 . . . . 74.22 111.129 173.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -63.74 -48.19 77.99 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 122.003 -0.436 . . . . 43.23 111.203 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' HD13 ' A' ' 65' ' ' LEU . 23.6 mt-30 -80.68 -6.16 58.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 112.63 0.604 . . . . 74.23 112.63 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 59.9 p -85.87 -28.91 24.09 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.818 0.447 . . . . 73.12 109.98 167.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -84.76 -19.36 32.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.633 -0.712 . . . . 74.41 111.764 170.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -93.85 111.06 22.7 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 106.986 -1.487 . . . . 61.12 106.986 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -148.74 169.51 20.27 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.51 0.724 . . . . 74.41 111.51 -163.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.86 -58.98 3.58 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 115.011 -0.995 . . . . 71.31 111.425 165.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' ' 69' ' ' ASP . 36.1 pt -108.01 149.25 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 122.992 0.517 . . . . 75.33 111.552 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.5 mm? -74.02 -16.83 61.04 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.876 0.695 . . . . 65.23 112.876 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.55 -46.09 64.24 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 118.268 0.486 . . . . 65.24 111.422 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . 46.8 m -70.31 -30.01 66.89 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.048 0.539 . . . . 45.42 110.832 174.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 3.3 t70 -54.47 -57.99 9.2 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.788 0.435 . . . . 70.41 111.024 168.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -33.49 71.85 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.413 0.685 . . . . 72.14 112.287 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.01 -60.31 3.18 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.724 0.81 . . . . 73.15 111.844 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 75.7 mt -75.77 -27.38 58.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.101 0.778 . . . . 50.32 113.101 -174.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 t -64.32 -50.46 67.74 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.346 0.658 . . . . 74.32 111.166 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.39 94.67 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 115.822 -0.626 . . . . 70.42 112.852 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.77 -43.15 94.49 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.704 0.801 . . . . 64.51 110.692 176.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.707 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -66.97 -46.02 75.94 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.109 -0.95 . . . . 74.2 112.152 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.14 73.23 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.861 -0.609 . . . . 50.45 112.466 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -83.53 -54.22 5.11 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.073 0.549 . . . . 65.34 111.93 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -81.72 -41.42 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.863 1.06 . . . . 63.44 113.863 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.9 mp -59.48 -37.95 79.58 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.005 0.743 . . . . 72.12 113.005 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.86 -33.65 70.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.579 0.751 . . . . 61.25 112.296 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -99.7 -13.77 19.18 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.288 0.635 . . . . 65.32 112.168 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.0 mtm -88.37 139.97 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.445 0.64 . . . . 74.23 111.863 176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -90.44 173.98 7.8 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.06 0.944 . . . . 73.25 109.905 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.8 tt0 -62.83 -33.71 75.81 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.449 0.699 . . . . 75.53 112.401 -171.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.15 -30.41 71.47 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.852 0.861 . . . . 73.13 112.532 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -80.57 -45.86 16.68 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 123.693 0.797 . . . . 65.44 111.039 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.576 HD22 ' HG ' ' A' ' 50' ' ' LEU . 20.9 mt -58.16 -27.36 63.74 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.649 1.351 . . . . 72.25 114.649 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.01 -32.02 73.55 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.16 0.437 . . . . 62.12 112.082 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -73.73 -37.44 65.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.066 0.46 . . . . 72.2 109.955 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -67.83 -31.5 71.38 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.011 -0.54 . . . . 71.52 111.651 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.07 -35.28 74.81 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 73.12 109.931 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 m -75.31 -30.12 60.23 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.451 -1.25 . . . . 41.13 112.248 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.44 -32.35 73.15 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.362 0.665 . . . . 51.21 111.876 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 29' ' ' GLN . 59.9 mt -71.02 -19.27 62.53 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.437 0.695 . . . . 60.53 112.018 177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -82.62 -11.39 58.42 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.752 0.821 . . . . 73.0 111.663 175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -84.33 168.02 16.01 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.527 0.68 . . . . 75.4 112.17 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.3 mt -81.04 128.47 33.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.02 -0.991 . . . . 63.33 111.086 -172.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 35' ' ' ILE . 2.6 m-20 -42.57 -63.54 0.76 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 114.77 1.396 . . . . 75.24 114.77 -176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -59.24 -36.99 76.45 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.452 0.301 . . . . 74.24 111.794 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.61 -45.83 81.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.874 0.469 . . . . 62.34 111.113 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 42' ' ' LEU . 81.6 mt -56.58 -45.34 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 123.769 0.828 . . . . 70.44 110.365 175.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.29 -42.96 99.13 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.04 -0.982 . . . . 74.23 111.565 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -74.84 -37.23 62.31 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.154 0.427 . . . . 54.21 112.154 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -62.71 -39.74 95.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.01 0.433 . . . . 55.14 109.984 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.3 -33.46 73.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.118 0.967 . . . . 63.34 112.977 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.7 p -93.54 5.64 50.91 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 122.947 0.499 . . . . 73.22 112.012 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 65.85 12.79 8.62 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.064 1.346 . . . . 75.31 112.303 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.47 64.72 6.31 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 121.839 0.828 . . . . 50.11 110.383 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -74.54 -12.24 60.42 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.514 0.726 . . . . 74.11 112.313 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -60.39 -36.83 79.0 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.978 0.911 . . . . 71.03 112.196 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.7 m -90.81 -50.76 5.72 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.359 0.664 . . . . 71.11 110.411 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 m -111.14 106.19 57.29 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 123.562 0.745 . . . . 73.42 110.978 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.45 147.23 70.69 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.524 2.149 . . . . 71.21 112.225 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -82.66 122.05 78.27 Favored Pre-proline 0 CA--C 1.556 1.199 0 C-N-CA 122.979 0.511 . . . . 72.13 111.024 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.63 160.91 46.9 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 123.156 2.571 . . . . 74.22 112.822 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.04 -34.63 78.45 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.649 0.78 . . . . 74.13 111.732 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.22 9.02 3.39 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 113.421 0.897 . . . . 74.13 113.421 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -136.2 4.73 2.97 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 123.912 0.885 . . . . 70.13 111.742 164.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.46 107.06 2.75 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.118 0.567 . . . . 72.11 111.49 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 62.4 25.88 15.44 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.631 1.172 . . . . 74.34 112.402 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -66.82 140.66 57.83 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.62 0.368 . . . . 73.2 111.085 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.57 -42.02 95.79 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.399 1.079 . . . . 72.11 111.523 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.1 -45.05 87.88 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.821 0.849 . . . . 73.45 112.002 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.12 -44.24 97.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.942 0.497 . . . . 73.21 111.282 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.71 -42.33 83.53 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.065 0.546 . . . . 73.42 111.378 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.28 -43.2 98.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.323 0.649 . . . . 74.44 111.735 173.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.85 -39.89 94.28 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.237 1.015 . . . . 64.41 111.878 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.01 -49.03 69.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.875 0.87 . . . . 64.31 111.481 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.35 -25.84 64.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.541 -0.754 . . . . 73.24 111.48 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.425 ' CE2' ' HG2' ' A' ' 105' ' ' LYS . 72.8 t80 -75.0 -36.72 61.95 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.694 0.398 . . . . 75.45 111.836 174.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.1 m -54.91 -41.56 71.11 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 122.79 0.436 . . . . 61.43 111.679 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.29 -10.07 59.73 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 113.186 0.81 . . . . 71.05 113.186 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -116.61 19.05 14.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.656 0.782 . . . . 64.12 113.05 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 10.6 mtmp? -69.63 -53.67 17.63 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.169 0.509 . . . . 74.43 110.367 173.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -119.15 12.9 12.79 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.06 0.944 . . . . 43.42 110.912 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? 60.48 103.77 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.483 0 C-N-CA 125.549 1.54 . . . . 74.52 111.911 -173.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -144.1 -173.45 4.01 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.318 1.047 . . . . 72.3 109.907 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.495 0.664 . . . . 74.42 109.581 174.141 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 120.302 0.096 . . . . 74.51 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.13 -175.98 21.58 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 114.354 0.502 . . . . 73.4 114.354 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -83.49 92.75 7.67 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 123.511 0.724 . . . . 71.34 110.968 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -89.69 106.57 18.55 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.66 0.784 . . . . 73.41 109.853 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.9 160.08 14.53 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.471 0.708 . . . . 75.12 112.349 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -90.37 151.74 21.31 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.776 0.83 . . . . 75.2 111.356 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -140.71 164.07 31.19 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.885 0.874 . . . . 61.22 110.709 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -77.18 162.94 27.01 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.412 0.685 . . . . 70.21 111.202 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -68.67 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.243 0.617 . . . . 72.21 111.076 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -154.25 146.7 24.0 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 123.873 0.869 . . . . 72.15 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 mmt -85.44 115.13 22.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 109.653 -0.499 . . . . 51.45 109.653 168.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.17 113.2 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.318 0.647 . . . . 73.14 109.61 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -69.67 99.95 1.4 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 122.84 0.456 . . . . 73.11 110.398 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -158.15 131.24 7.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.793 0.837 . . . . 61.35 109.495 175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.1 p -75.82 78.63 2.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.918 0.866 . . . . 71.34 110.791 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.03 131.59 43.1 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.356 -0.838 . . . . 61.1 110.479 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 63.35 91.68 0.07 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.999 1.32 . . . . 72.23 110.628 -170.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.562 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 72.7 Cg_exo -50.85 144.36 27.25 Favored 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.805 2.337 . . . . 72.35 112.908 170.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -24.31 64.76 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 123.274 0.63 . . . . 64.4 110.393 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.66 -37.15 75.36 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.503 0.721 . . . . 75.13 111.806 166.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.562 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 60.5 mttm -72.91 -35.84 67.16 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 122.956 0.502 . . . . 74.21 111.845 174.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 54.7 tptt -56.65 -49.42 75.07 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.453 0.701 . . . . 72.55 110.127 169.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -62.34 -45.54 92.75 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.992 1.317 . . . . 72.53 111.408 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.45 91.01 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.013 0.525 . . . . 73.13 111.774 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -58.74 -42.48 88.91 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.686 0.795 . . . . 75.53 111.489 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HD21 ' A' ' 50' ' ' LEU . 89.9 mt -66.17 -51.53 56.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.886 -0.597 . . . . 72.42 111.678 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.4 mt -56.46 -33.99 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 123.221 0.609 . . . . 63.25 110.871 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -64.14 -49.95 70.14 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 124.29 1.036 . . . . 74.05 111.568 174.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.0 mt-30 -69.19 -19.53 63.99 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.395 0.678 . . . . 73.34 111.944 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 m -76.48 -38.89 54.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.117 0.967 . . . . 52.23 110.761 172.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.29 -9.79 59.39 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.031 0.933 . . . . 62.53 112.214 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 5.1 mptp? -108.7 110.68 22.16 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.027 -0.731 . . . . 75.01 109.027 169.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.98 148.28 27.54 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.49 0.716 . . . . 70.32 110.675 -178.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.54 -16.26 80.47 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-N 116.565 -0.289 . . . . 72.55 113.596 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.14 130.36 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 123.674 0.79 . . . . 72.53 109.917 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.9 -38.11 87.87 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.318 0.647 . . . . 34.44 112.094 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -60.71 -48.41 81.91 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.817 0.447 . . . . 71.22 111.356 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -69.24 -32.06 71.02 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.648 0.779 . . . . 73.01 111.747 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.03 -56.3 18.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.657 0.783 . . . . 75.34 110.736 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.43 -29.81 69.39 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.477 0.711 . . . . 72.2 111.571 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.1 -59.47 5.29 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.831 0.852 . . . . 50.41 111.276 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.85 -37.49 73.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.916 0.487 . . . . 64.04 112.04 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.2 m -63.64 -45.16 91.49 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 123.27 0.628 . . . . 72.12 111.824 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.18 -41.18 98.47 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-N 116.386 -0.37 . . . . 71.13 112.584 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -63.57 -35.66 81.24 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.141 0.977 . . . . 64.03 110.813 175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.84 -45.6 57.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.287 0.635 . . . . 60.32 112.374 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.88 -27.16 65.55 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.931 -0.577 . . . . 64.04 112.132 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -91.75 -55.07 3.61 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.043 0.937 . . . . 75.24 113.235 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -81.17 -38.04 27.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 113.374 0.879 . . . . 72.21 113.374 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.8 mp -60.21 -21.84 62.26 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 112.939 0.718 . . . . 65.1 112.939 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 10.5 mmpt? -54.25 -43.41 70.92 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.999 0.92 . . . . 70.2 112.947 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -114.3 -7.56 12.93 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.798 0.666 . . . . 54.34 112.798 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.429 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 37.8 mtm -73.73 137.05 43.77 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.57 0.7 . . . . 75.25 112.382 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.2 173.22 11.63 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 114.63 -1.168 . . . . 72.14 111.878 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -50.81 -43.88 58.93 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.985 1.314 . . . . 72.53 111.923 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -68.9 -36.77 78.44 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.167 -0.924 . . . . 75.41 111.774 -176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 29.5 mm-40 -66.8 -48.75 68.02 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.557 0.694 . . . . 43.22 110.507 175.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' A' ' 50' ' ' LEU . 8.8 mt -56.37 -41.41 76.15 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.38 1.252 . . . . 55.32 114.38 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.09 -28.16 57.45 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 122.103 -0.373 . . . . 72.32 111.903 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -67.47 -38.26 84.13 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.304 0.573 . . . . 73.02 109.475 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -67.73 -34.25 76.48 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.591 0.757 . . . . 71.24 111.925 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.35 -48.09 81.7 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.407 0.683 . . . . 74.41 109.703 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 m -57.62 -36.69 72.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.83 0.852 . . . . 54.43 112.345 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 HD22 ' A' ' 98' ' ' LEU . 39.3 tp -67.25 -35.66 80.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.355 0.662 . . . . 74.13 111.404 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 29' ' ' GLN . 65.3 mt -74.62 -16.35 60.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.431 0.692 . . . . 71.33 112.141 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -90.4 1.97 56.08 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.086 0.554 . . . . 73.3 111.758 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -86.77 171.14 11.13 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.552 0.691 . . . . 72.13 112.245 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.98 121.63 20.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.082 -0.963 . . . . 74.15 110.531 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -47.05 -57.56 4.92 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 114.575 1.324 . . . . 74.52 114.575 -174.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -45.3 74.32 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.015 0.825 . . . . 74.43 112.303 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.13 -41.21 92.17 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.432 0.693 . . . . 73.01 111.451 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.84 -43.66 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 C-N-CA 123.831 0.852 . . . . 74.31 111.524 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -68.1 -38.54 82.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.007 0.523 . . . . 65.13 111.502 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -72.54 -27.84 62.48 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.948 0.499 . . . . 65.45 112.012 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HA ' ' CE1' ' A' ' 80' ' ' PHE . 36.7 m0 -79.06 -36.2 41.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.138 0.575 . . . . 74.53 110.971 174.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 99' ' ' GLN . . . -63.29 -34.86 78.6 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.673 0.789 . . . . 50.34 111.641 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.3 -172.6 2.46 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.38 -0.827 . . . . 74.42 109.843 172.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -103.78 34.14 3.12 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.666 0.746 . . . . 73.41 110.661 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -94.43 48.59 1.23 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.225 1.01 . . . . 70.02 110.834 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 75' ' ' TRP . 93.5 m-85 -76.59 16.4 0.5 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 123.784 0.834 . . . . 73.22 113.003 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -74.98 -65.2 0.9 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.66 0.784 . . . . 74.02 110.944 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 t -76.61 -33.23 58.41 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.18 0.592 . . . . 74.31 112.323 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 m -125.91 91.37 48.4 Favored Pre-proline 0 N--CA 1.487 1.403 0 C-N-CA 123.119 0.568 . . . . 65.52 109.92 172.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -71.49 161.75 44.46 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.396 2.064 . . . . 73.34 112.684 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 86' ' ' PRO . 23.2 tp -81.39 123.89 80.85 Favored Pre-proline 0 CA--C 1.558 1.271 0 CA-C-N 115.866 -0.606 . . . . 64.11 111.47 -173.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.522 ' HD2' HD12 ' A' ' 85' ' ' LEU . 84.3 Cg_endo -80.71 163.17 21.26 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.962 2.441 . . . . 75.1 111.999 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.84 -31.15 71.38 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.93 0.892 . . . . 70.11 112.549 -175.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -65.47 -24.91 67.28 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.952 0.901 . . . . 73.32 113.006 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -117.37 4.14 12.54 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.042 0.537 . . . . 74.21 112.161 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.64 101.89 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.762 0.425 . . . . 73.32 110.836 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 66.13 32.66 8.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.862 1.265 . . . . 62.12 111.98 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.4 t -61.1 135.75 57.86 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 115.907 -0.588 . . . . 75.0 111.044 172.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.16 -49.03 79.24 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.952 0.901 . . . . 73.32 110.618 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -53.16 -48.95 67.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.059 0.943 . . . . 70.15 112.202 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.53 -42.99 84.01 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.708 -0.678 . . . . 75.34 111.698 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -62.59 -37.38 85.98 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.759 0.423 . . . . 73.5 111.696 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -64.71 -37.15 86.6 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.143 0.577 . . . . 73.22 111.723 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.409 HD22 HD21 ' A' ' 64' ' ' LEU . 42.1 tp -71.74 -36.14 70.35 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.057 0.943 . . . . 72.44 111.651 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' ALA . 97.7 mt-30 -69.0 -41.69 77.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.041 0.936 . . . . 63.41 111.497 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.18 -38.06 89.68 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.277 0.631 . . . . 53.45 110.859 172.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -64.92 -44.22 90.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.044 0.538 . . . . 73.3 111.6 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.3 m -52.82 -42.58 65.26 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.179 0.592 . . . . 72.51 111.974 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -61.55 -51.01 70.35 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.568 0.747 . . . . 72.02 111.191 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 85.0 m-20 -98.16 14.83 26.3 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.966 0.906 . . . . 71.5 112.986 -170.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -57.65 -46.51 84.11 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.219 1.008 . . . . 71.12 111.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -113.8 -2.48 13.66 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.276 1.031 . . . . 75.14 111.045 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.56 2.65 12.39 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.63 0.772 . . . . 63.22 112.271 -165.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 104' ' ' ASN . 35.3 tt0 -70.47 129.51 39.45 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.521 0.728 . . . . 64.41 111.349 -176.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.426 HG13 ' HG2' ' A' ' 108' ' ' GLU . 2.7 pp . . . . . 0 N--CA 1.494 1.741 0 C-N-CA 126.076 1.75 . . . . 74.24 114.822 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 120.74 0.305 . . . . 65.1 111.548 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.58 14.64 0.3 Allowed Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.876 -0.602 . . . . 75.31 113.806 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -75.55 99.41 4.25 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 121.341 0.591 . . . . 73.52 110.474 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -125.58 27.56 6.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.304 0.641 . . . . 73.3 111.503 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -62.98 96.85 0.1 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.192 0.597 . . . . 75.05 110.696 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -139.76 150.64 45.03 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.782 0.833 . . . . 71.32 111.13 -176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -132.92 -37.39 1.01 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.304 1.042 . . . . 62.24 109.864 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 60.87 19.01 9.3 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.418 1.087 . . . . 50.01 111.707 178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -76.93 87.3 3.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.293 0.637 . . . . 74.53 110.702 -176.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -70.75 112.71 7.17 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.517 -0.765 . . . . 74.51 110.375 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.9 ttp -55.8 104.73 0.14 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.763 0.825 . . . . 63.34 111.363 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.7 mt 63.22 128.92 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 125.394 1.478 . . . . 71.34 111.307 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.77 53.27 2.65 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 122.034 0.921 . . . . 72.31 109.87 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -67.76 -37.06 81.6 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.95 1.7 . . . . 64.43 111.927 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -70.2 81.12 0.52 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.045 0.938 . . . . 61.43 112.546 -175.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -99.78 -18.11 17.37 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.468 1.107 . . . . 73.11 109.615 171.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.9 148.79 87.27 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.862 0.865 . . . . 63.35 111.906 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' HD2' ' HD3' ' A' ' 21' ' ' LYS . 70.9 Cg_exo -54.31 151.76 28.13 Favored 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 122.869 2.379 . . . . 64.04 113.809 167.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -31.6 72.6 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.759 0.823 . . . . 54.13 110.507 178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.45 -40.76 79.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.797 0.839 . . . . 73.52 111.995 172.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HD3' ' HD2' ' A' ' 18' ' ' PRO . 39.9 mtpt -61.94 -43.23 99.28 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.367 0.506 . . . . 70.31 112.367 177.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttpt -60.87 -46.27 91.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.29 0.236 . . . . 51.35 111.142 176.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -49.65 -48.64 49.2 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.825 0.85 . . . . 75.42 111.516 174.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.62 95.75 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 115.911 -0.586 . . . . 51.2 112.278 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -61.89 -33.6 74.5 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.931 0.892 . . . . 74.12 112.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 92.7 mt -71.19 -49.39 44.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.965 0.506 . . . . 42.3 111.338 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.695 HG12 ' HB1' ' A' ' 46' ' ' ALA . 54.7 mt -60.85 -31.96 50.93 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.304 0 CA-C-N 115.307 -0.861 . . . . 73.34 110.73 174.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -61.52 -46.7 88.86 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.831 0.853 . . . . 74.32 111.534 171.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.645 ' HB2' HD13 ' A' ' 65' ' ' LEU . 48.2 mt-30 -69.37 -22.62 63.71 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 112.681 0.623 . . . . 74.31 112.681 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.0 p -75.88 -12.91 60.24 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.242 0.217 . . . . 54.33 111.186 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.71 -16.8 37.83 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.627 0.771 . . . . 62.1 112.342 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -106.88 111.94 24.68 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.917 -0.771 . . . . 72.23 108.917 172.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.602 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -151.39 154.64 37.04 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.491 1.117 . . . . 74.13 109.169 -177.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.44 73.29 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 113.736 0.254 . . . . 71.13 113.736 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.608 HD12 ' HB2' ' A' ' 37' ' ' GLU . 20.5 pt -137.61 154.7 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.838 0.855 . . . . 70.11 112.051 -175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 32.5 tp -72.76 -24.93 61.02 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.438 0.695 . . . . 53.51 111.69 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.608 ' HB2' HD12 ' A' ' 35' ' ' ILE . 28.4 mm-40 -55.22 -54.61 41.17 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.177 0.591 . . . . 74.51 111.803 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -75.27 -30.6 60.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.417 0.687 . . . . 72.45 112.103 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 20.2 t70 -60.22 -49.87 75.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.058 0.543 . . . . 65.31 111.503 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.7 mt -61.32 -36.51 80.35 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.705 0.802 . . . . 74.43 111.448 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.3 tp -64.16 -55.52 21.23 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 115.202 -0.908 . . . . 55.45 111.628 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 72' ' ' ILE . 67.8 mt -74.98 -36.75 62.02 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.183 0.808 . . . . 65.12 113.183 -175.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 m -68.09 -40.38 82.67 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.774 0.43 . . . . 70.31 111.425 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.08 88.63 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 116.408 -0.36 . . . . 65.01 112.557 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.76 -33.69 74.52 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.112 0.965 . . . . 74.43 110.585 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.757 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -72.81 -41.58 64.76 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.457 0.703 . . . . 61.04 111.884 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.5 -20.45 58.73 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 115.689 -0.687 . . . . 44.44 112.555 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -94.26 -57.73 2.42 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.711 0.634 . . . . 43.32 112.711 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -82.76 -40.64 20.21 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.369 1.248 . . . . 75.42 114.369 -167.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.7 mp -57.29 -22.18 39.94 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 113.574 0.953 . . . . 60.22 113.574 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.61 -40.89 98.38 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 123.979 0.912 . . . . 63.4 111.106 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -105.11 -10.4 17.17 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 124.137 0.975 . . . . 72.11 112.748 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.649 ' SD ' HD23 ' A' ' 58' ' ' LEU . 51.0 ttm -74.73 143.08 44.28 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 124.336 1.054 . . . . 74.33 112.648 -172.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.91 158.61 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.41 0.684 . . . . 74.11 112.333 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.75 -49.69 57.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 125.064 1.346 . . . . 53.13 112.572 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.94 -41.71 99.59 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.851 -1.068 . . . . 61.24 112.384 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.481 0.712 . . . . 72.22 111.628 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.649 HD23 ' SD ' ' A' ' 53' ' ' MET . 82.1 mt -62.15 -37.55 85.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.488 0.715 . . . . 74.24 111.346 174.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.26 -27.98 61.0 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.843 0.457 . . . . 64.0 111.787 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.88 -39.47 83.69 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 116.28 -0.418 . . . . 51.24 110.216 171.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.41 -35.25 79.83 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.345 0.658 . . . . 74.54 110.84 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.458 ' HA ' HD12 ' A' ' 65' ' ' LEU . 15.2 t70 -59.45 -43.06 93.24 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.076 0.551 . . . . 71.02 109.999 173.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -59.86 -38.74 83.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.473 0.709 . . . . 64.12 111.599 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 tp -66.01 -33.36 75.64 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.501 0.72 . . . . 61.21 111.063 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 29' ' ' GLN . 41.8 mt -73.8 -21.11 60.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.826 0.85 . . . . 60.1 111.697 174.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.21 -1.02 57.07 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.314 0.646 . . . . 73.34 111.819 171.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.14 158.94 17.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.121 0.569 . . . . 72.11 111.358 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.39 133.61 42.46 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.553 0.741 . . . . 72.24 110.224 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.602 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.4 p30 -46.25 -52.56 12.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.408 1.262 . . . . 60.52 114.408 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -52.05 -46.84 65.23 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.242 0.46 . . . . 72.52 112.242 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 9.4 m-20 -56.78 -54.92 40.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.17 0.588 . . . . 73.43 111.214 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 42' ' ' LEU . 60.7 mt -51.44 -44.63 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 C-N-CA 124.458 1.103 . . . . 60.2 112.065 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.16 -44.07 66.26 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.56 -0.746 . . . . 71.21 111.602 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -75.7 -20.62 58.25 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.949 0.722 . . . . 73.3 112.949 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 44.1 m0 -71.84 -46.79 56.84 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.021 0.439 . . . . 73.31 110.147 170.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.72 -49.59 75.84 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.018 -0.992 . . . . 54.02 111.674 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.7 p -76.09 1.95 14.21 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.617 0.767 . . . . 75.44 112.56 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp 64.99 25.69 12.69 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 124.671 1.188 . . . . 74.04 112.298 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.51 -72.75 0.14 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.028 0.931 . . . . 74.31 110.525 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 63.88 1.55 1.15 Allowed 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 124.8 1.24 . . . . 73.12 113.938 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -79.17 -59.09 2.91 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.909 0.883 . . . . 74.2 110.65 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.9 t -87.38 -33.14 19.23 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 115.323 -0.853 . . . . 70.3 111.826 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.6 m -122.5 93.31 48.56 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.438 0.695 . . . . 62.22 110.237 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.23 162.47 41.68 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.19 2.593 . . . . 53.25 113.22 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.3 tp -92.32 123.31 62.72 Favored Pre-proline 0 CA--C 1.557 1.234 0 C-N-CA 123.017 0.527 . . . . 74.2 111.976 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 6.8 Cg_exo -75.65 159.4 39.04 Favored 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.896 2.397 . . . . 72.23 112.839 170.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.26 -28.24 69.57 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.266 1.026 . . . . 71.41 112.723 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 21.8 ptmt -56.7 -41.31 77.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.073 0.949 . . . . 73.2 112.438 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -96.34 -18.3 20.06 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 112.395 0.517 . . . . 75.31 112.395 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.72 -34.7 59.71 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.832 0.853 . . . . 74.34 113.137 -178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -111.71 5.75 19.4 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.932 0.893 . . . . 71.15 112.473 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.3 t -81.77 129.13 34.63 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.452 0.701 . . . . 73.55 111.34 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 47.1 mtpt -69.67 -37.54 76.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.775 0.43 . . . . 60.01 111.191 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 tp -49.83 -45.77 50.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 124.078 0.951 . . . . 72.4 111.53 177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 75' ' ' TRP . 21.6 tp -59.59 -46.17 89.73 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.807 -1.088 . . . . 71.42 111.767 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.0 -29.0 65.97 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.64 0.776 . . . . 63.31 111.889 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 15.8 mm-40 -72.5 -34.62 67.76 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.561 0.744 . . . . 52.11 110.679 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.97 -36.97 78.49 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.109 0.964 . . . . 75.35 111.189 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.65 -35.08 79.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.735 0.814 . . . . 74.2 111.699 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -62.38 -55.74 25.04 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.847 -0.615 . . . . 55.02 109.757 168.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.18 -35.97 74.51 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.912 0.708 . . . . 74.44 112.912 -171.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 85.1 p -55.93 -37.94 69.63 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.229 0.612 . . . . 70.33 112.562 175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.67 -36.51 28.7 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.289 0.636 . . . . 72.54 110.991 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -94.46 25.82 3.72 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.517 0.727 . . . . 72.3 112.387 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -57.79 -46.94 83.9 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.782 0.833 . . . . 72.44 110.877 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.47 23.33 12.03 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.961 0.904 . . . . 72.13 112.1 -176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -110.8 82.51 1.6 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 106.893 -1.521 . . . . 73.45 106.893 171.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -106.74 149.27 27.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.886 0.875 . . . . 74.13 111.577 -167.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.479 1.008 0 C-N-CA 123.845 0.858 . . . . 73.24 110.32 -176.152 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 110.741 -0.096 . . . . 61.22 110.741 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.76 -42.54 3.16 Favored Glycine 0 N--CA 1.481 1.686 0 N-CA-C 114.883 0.713 . . . . 60.34 114.883 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -65.73 108.55 2.14 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.394 0.677 . . . . 65.2 111.08 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -120.37 168.89 10.82 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.116 0.566 . . . . 75.2 111.799 -175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -98.2 166.5 11.38 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.888 0.875 . . . . 72.14 111.4 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -71.4 145.92 49.04 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.566 0.747 . . . . 72.34 111.989 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -133.06 -55.75 0.92 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.193 0.597 . . . . 70.31 111.8 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -74.34 102.51 4.41 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.568 0.699 . . . . 72.22 112.268 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -87.86 86.66 7.18 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.339 0.59 . . . . 73.44 111.522 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -135.16 149.87 50.05 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.373 0.669 . . . . 64.32 111.165 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.4 mmt -88.25 111.8 22.07 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.784 0.833 . . . . 75.44 111.522 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.3 mt -97.52 105.58 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.003 0.521 . . . . 75.24 109.772 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -83.07 104.2 13.09 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.039 0.536 . . . . 72.54 110.853 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -141.42 138.51 32.99 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.031 0.933 . . . . 63.44 110.691 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -75.42 123.52 25.55 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.182 0.593 . . . . 75.12 110.373 173.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -82.39 71.39 9.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.292 0.568 . . . . 75.22 110.914 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -145.83 77.44 12.23 Favored Pre-proline 0 CA--C 1.558 1.251 0 C-N-CA 123.539 0.735 . . . . 73.33 111.163 175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.51 167.19 17.52 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.17 1.913 . . . . 75.14 111.964 158.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 55' ' ' GLU . 4.0 mm? -66.26 -27.07 67.66 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.941 0.496 . . . . 63.22 111.385 174.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.51 -44.13 76.34 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 115.814 -0.63 . . . . 54.54 111.096 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -75.5 -47.35 27.42 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 122.937 0.495 . . . . 72.14 112.264 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -69.18 -47.42 64.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.624 0.602 . . . . 72.05 112.624 -172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -54.61 -51.13 66.32 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 117.814 0.279 . . . . 73.03 111.575 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.66 78.69 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.96 0.504 . . . . 64.23 111.966 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -65.08 -41.35 95.12 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.651 0.781 . . . . 70.2 111.911 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -70.96 -40.39 72.0 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.788 0.435 . . . . 75.02 111.976 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.537 HG12 ' HB1' ' A' ' 46' ' ' ALA . 65.2 mt -59.63 -32.83 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.703 0.763 . . . . 65.41 110.927 173.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.98 -41.84 58.74 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.159 1.384 . . . . 64.41 112.475 174.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.56 -19.13 58.22 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 123.503 0.721 . . . . 40.53 111.847 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.675 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 92.4 p -81.77 -37.66 26.83 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.609 0.719 . . . . 35.5 110.634 173.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -77.27 -16.67 58.88 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.006 -1.452 . . . . 74.13 110.704 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -83.54 113.49 20.84 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.142 -1.059 . . . . 70.14 108.142 161.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -152.08 171.02 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.792 0.437 . . . . 63.43 110.397 -166.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.49 -83.16 0.55 Allowed Glycine 0 CA--C 1.535 1.291 0 C-N-CA 121.546 -0.359 . . . . 73.23 112.493 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 38' ' ' THR . 44.3 pt -78.08 155.63 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 N-CA-C 112.434 0.531 . . . . 74.41 112.434 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.34 -24.22 60.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.109 0.964 . . . . 72.0 112.345 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 35' ' ' ILE . 6.0 mm-40 -62.36 -51.95 65.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.999 0.519 . . . . 73.34 111.981 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' H ' HG13 ' A' ' 35' ' ' ILE . 7.4 m -74.69 -29.2 61.13 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.881 0.472 . . . . 40.12 111.681 176.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.46 -59.79 4.22 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.762 0.825 . . . . 73.54 111.208 176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.55 -34.21 77.72 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.669 0.788 . . . . 53.24 111.648 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.05 -57.96 10.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.768 0.827 . . . . 75.02 111.108 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 62.3 mt -74.33 -28.7 61.27 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.971 0.73 . . . . 64.15 112.971 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -64.78 -52.21 58.1 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 122.825 0.45 . . . . 74.31 111.376 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.71 -38.99 95.05 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 115.971 -0.559 . . . . 71.14 112.97 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -59.21 -41.87 89.63 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.016 0.927 . . . . 73.34 111.003 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -68.7 -47.81 65.45 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.271 -0.877 . . . . 72.14 112.406 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.91 68.7 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.196 0.598 . . . . 70.12 112.204 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -90.16 -55.24 3.69 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.652 0.781 . . . . 73.21 112.312 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -78.38 -45.79 21.55 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.563 0.745 . . . . 74.11 112.875 -171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -59.7 -25.71 65.01 Favored 'General case' 0 N--CA 1.508 2.441 0 N-CA-C 113.042 0.756 . . . . 73.43 113.042 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 ttmm -55.68 -32.09 62.96 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 124.284 1.034 . . . . 64.31 112.053 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -119.9 -9.11 9.73 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.0 0.92 . . . . 73.33 112.346 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.535 ' SD ' HD23 ' A' ' 58' ' ' LEU . 52.9 ttm -71.08 137.05 48.59 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 124.005 0.922 . . . . 50.31 112.318 -174.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.0 m120 -73.78 159.43 32.93 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.863 0.865 . . . . 74.41 112.756 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.618 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.0 mp0 -50.16 -41.8 49.82 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.689 1.596 . . . . 73.25 112.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.67 -48.75 71.05 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 114.965 -1.016 . . . . 74.22 111.033 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.3 -31.34 70.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 114.721 -1.127 . . . . 61.25 111.897 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD23 ' SD ' ' A' ' 53' ' ' MET . 96.4 mt -59.55 -36.0 75.31 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.864 0.866 . . . . 74.14 112.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.46 -29.76 62.74 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.616 0.767 . . . . 52.23 111.275 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -69.72 -40.0 76.52 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.324 0.65 . . . . 60.12 110.208 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.458 ' HD1' HD11 ' A' ' 94' ' ' LEU . 47.0 t80 -61.46 -40.83 95.92 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.459 0.704 . . . . 74.12 111.889 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -55.47 -40.86 72.17 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.63 0.772 . . . . 64.04 111.525 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.7 m -58.17 -38.85 77.45 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.315 1.046 . . . . 51.32 112.398 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.2 tp -68.41 -30.41 69.31 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.639 0.776 . . . . 74.11 111.855 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 14.2 mt -75.01 -15.38 60.66 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.198 0.599 . . . . 70.13 112.093 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -95.45 4.82 52.91 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.639 0.776 . . . . 71.35 111.676 174.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -89.81 166.66 13.41 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.756 0.822 . . . . 70.35 111.445 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.77 134.77 37.0 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.594 0.358 . . . . 51.13 110.89 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 3.3 p-10 -50.11 -54.14 22.6 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.656 1.182 . . . . 72.03 113.885 -177.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 40.0 m95 -56.64 -39.14 73.16 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 112.608 0.595 . . . . 75.12 112.608 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -66.73 -52.03 49.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.931 0.493 . . . . 64.22 110.944 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 42' ' ' LEU . 66.3 mt -51.8 -41.93 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 124.286 1.035 . . . . 75.33 110.897 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.16 -47.73 81.44 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.991 -1.004 . . . . 75.25 111.734 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' ' 83' ' ' SER . 21.8 m-85 -76.87 -12.35 59.95 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 113.213 0.82 . . . . 74.43 113.213 -176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.481 ' HB3' HD11 ' A' ' 95' ' ' LEU . 28.6 m0 -88.1 -34.66 17.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.652 0.381 . . . . 74.0 110.886 172.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -53.54 19.51 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.15 0.58 . . . . 41.02 110.962 173.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 p -79.89 170.97 15.74 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.254 -0.885 . . . . 52.52 109.623 170.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -96.14 39.68 1.14 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 75.43 112.186 -169.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -110.68 51.22 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.502 0.668 . . . . 54.31 110.821 -176.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -67.45 -13.26 61.88 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.89 0.876 . . . . 62.34 112.369 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -32.71 65.2 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.349 1.06 . . . . 74.14 112.912 173.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -92.44 -56.58 2.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.921 0.391 . . . . 43.43 110.243 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 74' ' ' TYR . 57.9 m -105.58 100.92 29.26 Favored Pre-proline 0 N--CA 1.483 1.224 0 C-N-CA 123.163 0.585 . . . . 53.44 110.726 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -66.67 144.23 71.21 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.371 2.047 . . . . 51.22 111.664 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.3 tp -78.49 118.65 73.6 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 122.595 0.358 . . . . 64.23 110.647 -176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.623 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 4.5 Cg_exo -75.97 166.83 27.29 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.201 2.6 . . . . 63.13 112.94 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.61 -36.99 72.52 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.146 0.979 . . . . 74.04 112.249 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.623 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 22.2 ptmt -62.06 -25.36 67.64 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.013 0.925 . . . . 62.3 113.374 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -112.82 -9.75 13.64 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.448 0.536 . . . . 61.12 112.448 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.59 72.32 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 112.851 0.685 . . . . 71.21 112.851 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -114.27 7.33 16.44 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.29 0.636 . . . . 73.53 112.006 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -84.05 130.35 34.87 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.289 0.566 . . . . 55.12 112.491 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -65.56 -38.69 90.28 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.097 0.959 . . . . 74.12 111.223 174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.458 HD11 ' HD1' ' A' ' 61' ' ' TYR . 52.5 tp -51.98 -41.17 61.94 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.352 1.061 . . . . 75.22 113.149 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 75' ' ' TRP . 52.2 tp -61.11 -43.28 99.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.302 0.641 . . . . 74.43 111.487 177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -68.16 -34.02 75.54 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.803 0.841 . . . . 73.51 110.737 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.03 -40.94 99.22 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.953 0.901 . . . . 63.13 111.091 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.7 tp -73.53 -33.05 64.54 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.546 0.738 . . . . 72.32 111.698 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -72.25 -42.15 65.97 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.387 0.675 . . . . 73.11 112.579 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.21 -32.49 72.75 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 117.844 0.293 . . . . 61.33 110.571 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -65.95 -46.64 77.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.248 0.619 . . . . 73.25 110.908 172.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -56.39 -23.84 40.73 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 123.41 0.684 . . . . 55.1 111.603 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -79.45 -69.81 0.55 Allowed 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 115.798 -0.637 . . . . 74.35 110.776 167.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.4 HD22 ' N ' ' A' ' 104' ' ' ASN . 0.8 OUTLIER -88.37 21.79 2.75 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.25 1.02 . . . . 71.55 113.73 -166.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -62.61 -39.21 93.04 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 113.346 0.869 . . . . 75.03 113.346 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 107' ' ' LYS . 6.3 mm-40 -127.41 -81.11 0.6 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.513 0.725 . . . . 75.35 110.052 -177.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' HD2' ' HB3' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -162.92 36.66 0.1 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.071 0.949 . . . . 75.42 110.726 -179.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.37 -168.52 2.48 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.728 -0.669 . . . . 74.53 112.045 -167.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.94 0.876 . . . . 71.41 111.205 173.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.674 0.273 . . . . 74.52 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.25 -26.1 31.81 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.003 0.761 . . . . 72.24 115.003 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -79.56 80.52 5.93 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.076 0.938 . . . . 74.04 111.264 -175.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -92.93 -41.01 10.26 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.222 0.609 . . . . 65.44 110.79 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -151.03 50.41 0.85 Allowed 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.666 0.746 . . . . 61.34 110.772 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -136.47 122.68 20.46 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.685 0.794 . . . . 65.0 110.854 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -130.76 -174.23 3.31 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.151 1.38 . . . . 73.33 109.409 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -66.41 157.71 31.22 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 122.388 0.275 . . . . 70.44 111.11 173.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -61.58 139.49 58.26 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.965 0.506 . . . . 74.25 110.836 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.0 m80 65.13 95.93 0.05 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 125.202 1.401 . . . . 73.2 111.038 -169.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ttt -67.58 147.5 52.67 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.512 0.725 . . . . 74.01 111.253 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.01 95.55 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 122.987 0.515 . . . . 61.22 110.935 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -118.86 122.67 42.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.947 0.899 . . . . 70.23 109.6 174.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -74.86 -37.82 62.12 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.768 0.827 . . . . 74.12 112.114 -172.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -121.92 174.48 6.86 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.867 0.867 . . . . 74.35 111.041 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -72.66 -11.35 60.6 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.027 0.931 . . . . 75.11 111.726 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.14 113.11 8.32 Favored Pre-proline 0 N--CA 1.485 1.309 0 C-N-CA 124.694 1.198 . . . . 61.13 112.644 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -73.61 163.69 36.79 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.577 2.185 . . . . 61.02 112.14 168.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -26.95 69.08 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.575 0.75 . . . . 61.54 111.354 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -62.68 -40.06 95.92 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.54 0.736 . . . . 61.33 112.489 171.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -71.15 -38.48 72.22 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 112.146 0.425 . . . . 64.43 112.146 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.97 -54.06 49.6 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 120.74 0.305 . . . . 71.13 110.873 173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 25.9 ttp180 -55.72 -50.22 70.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.904 0.882 . . . . 72.33 111.874 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.98 95.75 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.034 0.533 . . . . 62.51 111.729 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 35.3 ttm180 -62.02 -45.33 94.08 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.924 0.89 . . . . 75.44 112.139 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 50' ' ' LEU . 86.5 mt -70.91 -42.59 69.72 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 122.677 0.391 . . . . 64.23 111.774 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.562 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.0 mt -61.23 -34.5 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 C-N-CA 123.097 0.559 . . . . 73.32 111.001 171.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 88.6 t80 -64.87 -46.81 80.27 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.274 0.63 . . . . 53.12 110.937 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HB2' HD13 ' A' ' 65' ' ' LEU . 44.2 mt-30 -78.81 -10.35 59.76 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 112.814 0.672 . . . . 64.22 112.814 -177.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.436 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 89.2 p -85.87 -28.53 24.33 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.232 0.539 . . . . 71.42 109.96 166.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -80.93 -13.04 59.26 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.922 1.289 . . . . 73.4 110.942 173.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -103.45 115.11 29.92 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 107.654 -1.239 . . . . 74.33 107.654 166.338 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -151.58 151.4 31.5 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 122.14 -0.35 . . . . 63.04 111.481 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -44.42 97.33 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 123.408 0.442 . . . . 54.03 113.877 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 pt -118.34 151.75 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.399 0.68 . . . . 74.24 111.394 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.05 -27.6 63.77 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 124.181 0.992 . . . . 74.34 111.825 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 -52.32 64.12 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.062 0.545 . . . . 71.45 111.849 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 73' ' ' TYR . 16.8 m -73.11 -28.01 62.02 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.232 0.613 . . . . 74.14 111.447 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.41 -58.91 5.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.156 0.983 . . . . 73.31 111.322 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.1 -33.34 75.27 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.233 0.613 . . . . 61.52 111.943 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.39 -55.43 34.91 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.933 0.893 . . . . 74.02 111.592 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 76.3 mt -74.23 -35.19 63.86 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.427 -0.806 . . . . 75.01 112.443 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.4 m -68.7 -41.98 78.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.218 0.451 . . . . 65.32 112.218 -178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.66 -41.34 93.95 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 112.124 -0.39 . . . . 14.04 112.124 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -59.29 -41.11 88.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.105 0.962 . . . . 73.53 111.021 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.49 -44.5 67.56 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.623 0.769 . . . . 74.54 112.687 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.55 69.8 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.258 0.623 . . . . 74.31 112.412 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -90.38 -55.07 3.74 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 123.785 0.834 . . . . 72.22 112.574 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -78.77 -40.73 32.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.17 0.804 . . . . 75.24 113.17 -170.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.8 mp -62.58 -24.49 67.58 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 112.486 0.551 . . . . 64.11 112.486 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.89 -35.84 73.69 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.656 0.783 . . . . 75.41 111.76 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -116.62 -11.45 11.04 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.729 1.011 . . . . 65.52 113.729 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.1 mtm -77.89 140.59 39.33 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.533 0.606 . . . . 73.33 111.828 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.66 160.91 31.47 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.175 0.99 . . . . 71.44 109.09 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 39.0 tt0 -50.55 -42.05 54.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.049 0.94 . . . . 71.4 112.17 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -55.34 -42.44 73.85 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.241 1.016 . . . . 75.54 113.084 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -74.91 -34.45 62.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.561 0.744 . . . . 71.41 110.871 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 50' ' ' LEU . 23.7 mt -63.45 -31.09 72.15 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.61 -0.723 . . . . 44.14 112.509 170.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 5.6 mm-40 -67.66 -37.96 83.11 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.85 0.46 . . . . 50.14 110.541 174.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HG3' HD22 ' A' ' 94' ' ' LEU . 5.5 tp10 -66.0 -37.1 85.07 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 115.357 -0.838 . . . . 64.4 111.049 171.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.22 -32.59 74.34 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.479 0.312 . . . . 72.14 111.771 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.87 -38.39 82.06 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.238 0.615 . . . . 51.3 110.771 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -59.89 -37.81 80.44 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.815 0.846 . . . . 61.43 111.696 176.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.84 -34.91 77.64 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.525 0.73 . . . . 72.13 111.17 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 29' ' ' GLN . 77.1 mt -73.3 -21.74 60.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.293 0.637 . . . . 72.34 111.625 175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -79.55 -7.41 58.47 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.554 0.742 . . . . 64.15 112.025 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -88.96 177.28 6.71 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.431 0.692 . . . . 72.2 110.895 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.0 mt -92.59 137.87 31.99 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.493 0.717 . . . . 65.44 111.122 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -48.25 -55.05 11.53 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.998 1.11 . . . . 34.14 113.998 -176.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.68 -43.57 93.95 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 112.345 0.498 . . . . 54.24 112.345 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.131 0.572 . . . . 71.22 111.445 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.1 -43.06 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 124.205 1.002 . . . . 61.11 111.219 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 74.8 t80 -59.89 -45.81 91.32 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.224 1.01 . . . . 74.43 111.394 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.2 -23.15 51.48 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.84 0.681 . . . . 75.51 112.84 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.528 ' HB3' HD11 ' A' ' 95' ' ' LEU . 35.0 m0 -77.33 -40.4 44.32 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.878 0.371 . . . . 75.54 110.841 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.51 65.85 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.657 0.783 . . . . 51.25 111.644 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.4 p -74.81 -2.31 26.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.477 0.711 . . . . 72.01 112.679 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 tttm 64.24 30.63 13.46 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 124.869 1.268 . . . . 60.12 111.943 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.37 -71.73 0.19 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 123.529 0.732 . . . . 34.42 110.589 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.14 -12.96 0.22 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.983 1.475 . . . . 62.25 114.983 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -59.94 -54.66 43.49 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.786 1.234 . . . . 54.51 111.377 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -82.98 -38.65 22.38 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.383 -0.826 . . . . 73.24 110.877 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 m -128.79 91.62 42.57 Favored Pre-proline 0 CA--C 1.552 1.024 0 CA-C-N 114.695 -1.139 . . . . 51.54 110.246 -174.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -62.31 162.56 23.2 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 123.276 2.651 . . . . 54.34 113.619 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -92.28 125.53 56.05 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 123.495 0.718 . . . . 75.54 112.379 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.41 152.09 79.35 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 123.404 2.736 . . . . 72.12 112.891 169.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.52 -38.86 88.92 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.77 0.828 . . . . 61.44 112.774 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -70.1 -9.13 54.5 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 112.871 0.693 . . . . 72.01 112.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.551 ' HB3' HD22 ' A' ' 95' ' ' LEU . 11.7 m95 -100.87 -33.38 10.24 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 112.079 0.4 . . . . 73.23 112.079 170.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.71 66.47 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.287 0.635 . . . . 73.41 112.585 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.56 18.27 22.15 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 123.506 0.722 . . . . 72.43 111.915 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.4 t -93.05 133.77 35.87 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.392 0.677 . . . . 54.02 110.858 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -69.69 -36.88 76.37 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.648 0.379 . . . . 64.24 110.838 174.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 60' ' ' GLU . 39.8 tp -54.72 -45.11 74.02 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.719 0.808 . . . . 64.22 111.855 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 89' ' ' TRP . 26.3 tp -60.42 -43.92 96.27 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.847 -0.615 . . . . 72.31 111.261 176.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.41 -33.51 76.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.138 0.575 . . . . 73.41 111.69 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.08 -34.37 68.63 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.552 0.741 . . . . 72.25 110.917 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.05 -34.11 72.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.625 0.77 . . . . 74.45 110.603 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -69.4 -39.99 77.6 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.962 0.905 . . . . 72.5 111.161 173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -57.74 -52.4 65.61 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.443 0.697 . . . . 73.21 111.013 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -64.56 -47.0 80.38 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.97 -0.559 . . . . 73.21 111.754 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -59.73 -38.52 81.94 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 112.857 0.688 . . . . 74.23 112.857 -173.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.42 -32.29 37.44 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.328 0.251 . . . . 75.32 111.492 175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -100.66 29.9 4.25 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.807 0.843 . . . . 74.24 111.95 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -69.65 87.68 0.5 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.22 0.533 . . . . 62.42 110.258 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.03 28.88 8.16 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.629 0.772 . . . . 71.44 110.805 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.3 tttp 59.18 19.57 7.58 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 126.015 1.726 . . . . 72.25 114.278 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.89 89.58 2.92 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 121.935 0.874 . . . . 75.02 110.118 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 123.318 0.647 . . . . 71.32 111.308 -177.48 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG3' ' H ' ' A' ' 2' ' ' GLY . 4.7 tpt . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 109.649 -0.5 . . . . 72.13 109.649 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -56.2 -39.81 82.36 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 114.124 0.41 . . . . 74.24 114.124 178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -120.89 145.79 47.28 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.444 0.697 . . . . 60.31 111.071 174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -75.83 118.84 19.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.486 0.715 . . . . 71.21 109.305 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.61 124.95 29.98 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.947 0.499 . . . . 55.21 111.648 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -150.46 123.41 8.74 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.741 0.817 . . . . 64.21 110.831 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -90.01 133.09 35.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.955 0.502 . . . . 64.12 110.733 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -90.77 -49.26 6.56 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.241 0.617 . . . . 74.21 110.286 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -76.13 143.21 41.36 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.09 0.556 . . . . 74.32 110.696 174.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -160.94 20.42 0.13 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.225 0.61 . . . . 74.0 112.031 -175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.4 mpt? -74.22 114.09 12.17 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.362 0.665 . . . . 74.13 110.992 -175.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -70.46 134.34 30.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.088 0.955 . . . . 64.41 110.952 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' H ' HG23 ' A' ' 15' ' ' THR . 84.3 tttt -127.62 58.06 1.5 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.922 0.889 . . . . 64.31 108.603 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 48.69 61.67 2.96 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 124.171 0.989 . . . . 63.34 110.965 -168.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 13' ' ' LYS . 72.9 p -94.39 125.88 39.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.423 -0.808 . . . . 63.14 110.684 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -60.56 118.88 7.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.876 0.47 . . . . 73.24 111.121 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -105.59 89.03 3.08 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 124.269 1.027 . . . . 75.32 109.089 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.507 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 67.0 Cg_endo -70.02 174.02 10.35 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 122.479 2.119 . . . . 75.11 113.635 177.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -27.58 66.43 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.215 -0.902 . . . . 61.31 110.208 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -65.52 -37.83 87.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.237 0.615 . . . . 74.54 111.668 171.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 29.1 mttp -71.79 -29.49 64.52 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 119.059 -0.496 . . . . 74.12 112.126 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.6 -47.07 76.93 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 118.17 0.441 . . . . 52.32 110.039 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 14.1 ttp180 -56.1 -48.57 75.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.918 0.887 . . . . 65.04 111.156 176.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.08 95.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.341 0.656 . . . . 73.42 112.02 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -66.66 -38.13 86.21 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.906 0.882 . . . . 64.34 111.911 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 HD12 ' A' ' 65' ' ' LEU . 95.6 mt -72.72 -37.87 67.63 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.875 0.47 . . . . 73.12 111.26 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG13 HD22 ' A' ' 50' ' ' LEU . 69.7 mt -63.09 -31.9 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 122.837 0.455 . . . . 74.33 110.772 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -69.98 -46.51 65.05 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.497 0.719 . . . . 74.02 111.528 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 65' ' ' LEU . 28.7 mt-30 -66.49 -31.28 71.92 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.431 0.692 . . . . 72.11 111.648 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 82.7 p -72.27 -44.64 62.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.329 0.652 . . . . 72.53 111.724 -176.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -78.61 -0.9 31.68 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.505 -0.77 . . . . 71.0 111.994 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -110.66 110.04 20.55 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 108.421 -0.955 . . . . 75.02 108.421 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -149.65 -157.84 0.86 Allowed 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 124.346 1.058 . . . . 75.24 109.991 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -122.18 2.88 10.6 Favored Glycine 0 N--CA 1.479 1.54 0 N-CA-C 114.193 0.437 . . . . 52.33 114.193 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.8 pt -146.71 120.66 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 124.032 0.933 . . . . 74.21 110.058 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.4 tp -55.22 -27.8 48.67 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.232 0.827 . . . . 50.34 113.232 -171.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.31 -52.1 63.32 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.78 0.432 . . . . 71.01 111.672 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 m -74.21 -31.44 62.63 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 122.78 0.432 . . . . 74.11 111.799 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.95 -54.79 38.21 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.875 0.47 . . . . 72.45 111.04 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.17 -33.61 70.17 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.17 0.588 . . . . 72.34 112.225 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.1 -58.46 8.54 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 123.461 0.704 . . . . 73.45 111.024 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 85.4 mt -74.31 -28.95 61.4 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.259 0.624 . . . . 74.24 112.601 -177.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 t -64.83 -53.15 51.36 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.394 0.543 . . . . 61.44 111.164 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.95 98.33 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.45 -0.795 . . . . 71.11 112.591 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.95 -44.64 96.33 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.574 0.75 . . . . 75.32 111.183 175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.0 -47.23 63.02 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.777 0.658 . . . . 72.03 112.777 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.1 68.46 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.951 0.501 . . . . 73.43 112.192 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -90.6 -54.86 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.408 1.083 . . . . 71.14 111.541 -177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -81.3 -42.82 20.04 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.237 1.015 . . . . 74.54 113.732 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.712 ' HG ' HD22 ' A' ' 58' ' ' LEU . 10.4 mp -59.09 -26.83 65.0 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.65 1.114 . . . . 75.35 112.1 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.27 -31.08 69.35 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.436 1.094 . . . . 71.13 111.987 178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.67 -27.51 16.5 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.714 0.635 . . . . 71.1 112.714 171.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.455 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 66.1 mtm -79.84 144.96 33.03 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.078 0.77 . . . . 65.32 113.078 -170.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 30.3 p30 -90.06 179.7 5.88 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.683 0.793 . . . . 72.12 111.405 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.42 -45.88 46.87 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 124.495 1.118 . . . . 74.32 112.53 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.12 -37.26 85.29 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.462 1.105 . . . . 62.12 112.05 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 53' ' ' MET . 39.3 mt-10 -75.8 -39.26 57.2 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.241 0.617 . . . . 52.43 111.811 175.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.712 HD22 ' HG ' ' A' ' 50' ' ' LEU . 14.0 mt -59.6 -39.72 85.13 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 113.148 0.796 . . . . 72.53 113.148 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.28 -28.46 59.78 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.112 -0.368 . . . . 71.0 111.477 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -65.09 -38.61 91.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 109.428 -0.582 . . . . 70.1 109.428 169.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.71 -35.19 74.82 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.491 0.716 . . . . 74.25 112.26 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.93 -39.9 82.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.179 0.592 . . . . 74.5 110.437 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.9 m -61.86 -36.88 82.54 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.609 -0.723 . . . . 71.05 111.716 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.408 HD21 HD22 ' A' ' 98' ' ' LEU . 39.6 tp -70.64 -31.55 68.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.276 0.63 . . . . 74.35 111.178 176.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 26' ' ' LEU . 86.7 mt -73.23 -25.66 60.82 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.598 0.359 . . . . 61.03 111.495 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -78.26 -4.1 46.17 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 123.263 0.625 . . . . 62.11 111.61 171.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -87.31 173.27 9.27 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.596 0.712 . . . . 53.31 112.346 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.0 mt -82.91 135.81 34.79 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 114.645 -1.161 . . . . 65.1 112.315 -173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.84 -64.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 125.742 1.617 . . . . 74.34 113.858 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 38.4 m95 -64.61 -39.61 94.02 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 112.854 0.687 . . . . 75.23 112.854 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.25 -43.04 99.74 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.964 0.505 . . . . 73.44 111.303 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.29 -44.83 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 C-N-CA 123.766 0.826 . . . . 60.04 111.411 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -65.07 -40.05 94.14 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.626 -0.715 . . . . 74.1 111.547 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.63 -25.85 59.5 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.525 0.565 . . . . 73.12 112.525 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.526 ' HB3' HD11 ' A' ' 95' ' ' LEU . 19.7 m0 -80.32 -34.68 36.52 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.576 0.35 . . . . 75.11 110.796 174.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -37.67 88.34 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.437 0.695 . . . . 64.22 111.155 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.2 p -90.54 -172.23 3.34 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.139 -0.937 . . . . 75.01 109.838 170.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -102.22 31.75 3.83 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.611 -0.68 . . . . 73.43 111.299 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.43 41.16 1.04 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.077 0.951 . . . . 72.15 111.287 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.49 -17.04 63.57 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.793 0.837 . . . . 63.4 111.844 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.75 -47.41 86.45 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.668 0.787 . . . . 73.53 110.744 167.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.45 -48.47 40.69 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.524 0.73 . . . . 55.24 111.31 -175.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -128.93 116.66 19.13 Favored Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 123.365 0.666 . . . . 75.25 110.129 174.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.6 145.55 58.43 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.481 2.121 . . . . 74.04 112.572 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.2 123.31 84.79 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 123.044 0.537 . . . . 72.44 111.717 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.11 149.23 76.51 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.001 2.467 . . . . 63.4 112.384 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.71 -33.32 73.82 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.917 0.887 . . . . 74.04 112.759 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -29.46 65.31 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.769 0.828 . . . . 64.34 112.966 175.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.93 -24.57 14.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.995 0.518 . . . . 72.53 111.434 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.22 -24.96 63.6 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.69 0.796 . . . . 42.54 112.631 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.16 7.17 15.28 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.853 0.861 . . . . 65.21 112.549 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 p -90.73 135.13 33.92 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.801 0.441 . . . . 70.32 111.367 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -70.17 -37.03 75.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 122.903 0.481 . . . . 74.13 111.203 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -53.15 -44.49 67.84 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.966 0.906 . . . . 65.04 112.402 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 75' ' ' TRP . 37.6 tp -55.54 -45.51 77.2 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.759 -0.655 . . . . 73.13 111.512 176.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -67.17 -34.05 76.71 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.867 -0.606 . . . . 75.43 111.114 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.27 -37.42 85.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.551 0.74 . . . . 64.23 111.329 173.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 64' ' ' LEU . 45.0 tp -67.5 -39.87 85.16 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.943 0.897 . . . . 74.1 110.699 178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.54 -43.37 90.14 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.231 1.012 . . . . 64.12 111.652 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.48 -49.89 74.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.965 0.506 . . . . 72.22 110.53 176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.71 -36.16 80.13 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.367 0.267 . . . . 70.03 111.531 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.409 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 37.3 t -56.18 -42.31 76.91 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.046 0.538 . . . . 64.24 112.079 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.96 -29.04 35.44 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.709 0.262 . . . . 63.23 111.709 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -85.97 12.54 9.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 112.642 0.608 . . . . 72.32 112.642 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 102' ' ' SER . 10.1 mtmp? -69.02 81.56 0.31 Allowed 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.601 0.715 . . . . 72.2 110.41 170.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.11 -38.21 2.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.555 1.142 . . . . 74.12 110.312 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -92.49 90.15 7.05 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.444 1.098 . . . . 74.13 110.694 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -114.43 159.96 19.71 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.95 0.9 . . . . 64.51 111.301 176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.4 mm . . . . . 0 N--CA 1.491 1.59 0 C-N-CA 123.614 0.766 . . . . 71.5 110.707 177.095 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.581 0.229 . . . . 72.43 111.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.62 -171.38 54.94 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.818 0.687 . . . . 72.53 114.818 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -78.61 123.22 26.88 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.936 0.494 . . . . 62.34 111.511 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -126.19 126.95 44.92 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.0 0.92 . . . . 71.13 109.086 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 62.52 -168.08 0.2 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.017 0.927 . . . . 71.14 111.598 -171.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -65.79 163.57 16.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.843 -0.536 . . . . 73.44 111.569 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -75.08 109.2 8.36 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.679 0.392 . . . . 72.45 110.704 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -147.16 -33.16 0.29 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.505 0.722 . . . . 70.21 110.566 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m 55.82 -158.22 0.23 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 124.179 0.991 . . . . 64.41 111.773 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -158.71 91.83 1.08 Allowed 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.579 0.704 . . . . 75.24 111.514 168.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.5 ttt -70.72 -25.65 63.04 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 122.027 0.917 . . . . 62.35 109.314 162.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.603 HG22 ' HG3' ' A' ' 13' ' ' LYS . 63.3 mt -59.15 136.15 23.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 CA-C-N 113.39 -1.732 . . . . 73.44 110.698 172.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.603 ' HG3' HG22 ' A' ' 12' ' ' ILE . 92.3 mttt 65.04 113.32 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.068 1.747 . . . . 71.25 113.117 -177.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -114.75 -54.95 2.53 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.614 0.766 . . . . 75.13 109.703 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.552 ' HB ' ' HG2' ' A' ' 17' ' ' GLU . 75.2 p -135.6 -65.46 0.6 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.639 0.775 . . . . 73.45 110.731 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 t30 61.25 20.91 11.46 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.866 1.266 . . . . 52.34 111.551 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HG2' ' HB ' ' A' ' 15' ' ' THR . 13.6 pt-20 -142.1 163.47 39.74 Favored Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.366 1.066 . . . . 72.12 110.464 -172.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' HG3' ' A' ' 21' ' ' LYS . 14.4 Cg_endo -57.12 149.3 63.99 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.449 2.099 . . . . 74.35 113.736 173.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -59.15 -28.94 67.05 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.695 1.198 . . . . 75.33 112.0 177.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -52.35 -49.32 64.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.979 0.912 . . . . 75.44 112.124 171.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' HD2' ' HB2' ' A' ' 17' ' ' GLU . 97.1 mttt -65.04 -44.76 88.02 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 122.989 0.516 . . . . 61.54 112.192 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 81.5 tttt -61.35 -50.43 72.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.827 0.451 . . . . 75.42 111.094 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -57.07 -48.36 78.76 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.698 0.799 . . . . 72.3 111.395 176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.44 79.15 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.214 0.606 . . . . 74.24 111.638 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -67.61 -40.46 84.71 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.775 0.83 . . . . 71.22 112.33 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.63 HD12 HD22 ' A' ' 58' ' ' LEU . 31.0 mt -72.73 -40.72 65.86 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 122.104 -0.373 . . . . 74.3 111.525 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.666 HG12 ' HB1' ' A' ' 46' ' ' ALA . 82.0 mt -58.47 -39.45 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 C-N-CA 123.919 0.887 . . . . 60.42 110.687 171.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -60.8 -55.5 32.34 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.127 0.971 . . . . 72.42 111.72 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.633 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.3 mt-30 -68.27 -24.04 64.83 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 123.747 0.819 . . . . 64.11 113.101 -174.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 93.7 p -73.02 -29.47 63.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.912 0.386 . . . . 74.15 111.061 174.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 27' ' ' ILE . 67.9 mtp180 -85.13 -19.93 31.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.736 -0.666 . . . . 72.15 111.682 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -86.15 106.58 17.37 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.906 -1.146 . . . . 74.52 107.906 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HE ' ' HB3' ' A' ' 69' ' ' ASP . 12.7 mmm180 -145.87 171.75 14.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.472 0.709 . . . . 74.43 110.254 -173.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.81 -47.33 56.12 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 115.668 -0.696 . . . . 75.32 112.408 169.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.9 pt -109.27 139.17 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-O 121.502 0.668 . . . . 75.23 112.096 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.81 -11.87 60.25 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.987 0.915 . . . . 74.43 112.072 173.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB2' HD12 ' A' ' 35' ' ' ILE . 18.0 mm-40 -57.66 -50.51 72.94 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.411 0.685 . . . . 71.51 110.677 172.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.6 m -72.66 -28.19 62.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.797 0.839 . . . . 72.23 111.857 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.74 -48.69 69.41 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 122.886 0.474 . . . . 73.5 110.872 171.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.6 mt -58.21 -34.1 70.03 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.349 0.66 . . . . 74.12 112.483 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.6 tp -72.56 -59.41 2.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.367 0.667 . . . . 74.11 111.793 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 67.6 mt -74.98 -25.19 58.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.992 0.917 . . . . 71.33 113.397 -172.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 t -65.2 -52.19 56.32 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 122.956 0.502 . . . . 71.31 111.49 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.39 -38.26 94.74 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.999 -0.546 . . . . 71.24 113.073 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.75 -43.35 99.03 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.68 0.792 . . . . 72.12 111.501 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -72.17 -45.96 58.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.976 0.511 . . . . 64.23 112.369 -175.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.08 72.22 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.221 0.608 . . . . 74.34 112.106 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -87.19 -54.99 4.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.779 0.832 . . . . 74.14 112.285 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.81 -49.95 16.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.127 0.571 . . . . 64.54 112.172 -173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 27' ' ' ILE . 9.2 mp -60.89 -23.96 65.61 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 113.072 0.767 . . . . 71.11 113.072 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -55.76 -33.46 64.33 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.453 0.701 . . . . 75.13 111.607 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -121.81 -1.51 9.42 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.096 0.958 . . . . 62.02 112.496 -178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD23 ' A' ' 58' ' ' LEU . 53.1 ttm -76.91 138.76 39.92 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.725 0.81 . . . . 72.13 112.486 -174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.52 165.94 13.5 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.188 0.995 . . . . 73.13 110.821 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 20.3 mt-10 -59.42 -36.47 75.94 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.558 0.948 . . . . 54.13 113.558 -173.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.4 pt-20 -54.91 -44.95 74.64 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.959 0.904 . . . . 62.44 112.05 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 26.3 mt-10 -76.21 -32.99 59.25 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.85 0.86 . . . . 75.41 111.107 176.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.63 HD22 HD12 ' A' ' 26' ' ' LEU . 88.5 mt -63.74 -29.24 70.48 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.958 0.903 . . . . 62.43 112.591 176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 71.2 mm-40 -64.96 -44.15 90.34 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.67 0.747 . . . . 63.22 110.44 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -71.12 -33.45 70.13 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.027 -0.988 . . . . 74.41 110.64 178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 46' ' ' ALA . 71.5 t80 -68.01 -35.13 77.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.172 0.589 . . . . 71.34 111.77 174.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.99 -42.79 99.94 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.69 0.396 . . . . 61.54 110.084 174.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.6 m -57.42 -31.96 66.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.588 0.755 . . . . 44.35 112.056 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.0 tp -70.46 -35.46 73.34 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.395 0.678 . . . . 73.23 111.429 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 29' ' ' GLN . 20.8 mt -65.19 -33.19 75.42 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.394 0.678 . . . . 72.12 110.329 175.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.44 HD22 ' N ' ' A' ' 66' ' ' ASN . 0.8 OUTLIER -68.8 -22.4 64.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.143 0.977 . . . . 74.53 112.465 178.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.73 175.53 9.86 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.58 0.752 . . . . 71.23 111.948 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.03 135.85 36.06 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.753 0.421 . . . . 74.33 110.821 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' ' HE ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -52.83 -47.51 67.66 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 125.089 1.356 . . . . 62.01 114.492 -172.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -53.84 -49.22 68.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.862 0.465 . . . . 70.1 111.943 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.35 -44.27 92.0 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.504 0.721 . . . . 61.34 111.482 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.2 mt -52.04 -46.67 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 C-N-CA 124.058 0.943 . . . . 71.01 111.188 175.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -68.49 -38.82 81.33 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.421 -0.809 . . . . 74.12 112.08 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -73.11 -23.41 60.49 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.499 0.555 . . . . 75.13 112.499 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.413 ' HB3' HD11 ' A' ' 95' ' ' LEU . 27.0 m0 -83.18 -34.45 25.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.029 0.532 . . . . 64.32 110.774 173.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.68 77.84 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.428 0.691 . . . . 34.52 112.021 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.4 p -97.44 175.91 6.06 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.84 0.856 . . . . 32.4 109.829 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -89.0 65.21 7.43 Favored 'General case' 0 CA--C 1.559 1.294 0 O-C-N 121.802 -0.561 . . . . 53.54 109.616 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -127.84 41.32 3.53 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.402 1.081 . . . . 51.24 109.638 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.38 -26.38 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.146 0.979 . . . . 72.5 112.457 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -20.85 59.87 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.286 0.235 . . . . 65.4 111.624 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -79.61 -54.48 5.84 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.248 0.619 . . . . 70.33 109.354 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.5 m -124.19 107.38 30.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 123.821 0.848 . . . . 72.1 109.479 172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.09 135.64 60.08 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.068 2.512 . . . . 74.14 113.014 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.73 123.87 89.75 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 122.841 0.456 . . . . 51.24 110.932 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.83 162.34 14.07 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.457 2.105 . . . . 73.32 112.165 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.28 -34.12 71.9 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.889 0.876 . . . . 75.32 112.826 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.68 63.52 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.694 0.798 . . . . 73.0 112.749 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -106.29 -23.3 12.59 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.207 0.817 . . . . 74.1 113.207 176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.26 68.97 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.85 0.86 . . . . 52.11 112.536 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.702 HD22 ' H ' ' A' ' 91' ' ' ASN . 0.1 OUTLIER -98.6 0.67 45.31 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.044 0.938 . . . . 72.42 113.425 179.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -73.67 137.99 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.425 0.898 . . . . 74.11 113.425 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 11.3 mmpt? -65.29 -48.75 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.502 -0.772 . . . . 72.24 110.031 170.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD11 ' HD1' ' A' ' 61' ' ' TYR . 19.1 tp -53.88 -43.5 69.64 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.18 1.392 . . . . 75.43 113.456 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 75' ' ' TRP . 26.0 tp -59.93 -43.93 94.65 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.333 -0.394 . . . . 64.11 111.768 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -70.95 -30.91 67.33 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.273 -0.421 . . . . 73.24 111.333 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 75.1 mm-40 -60.9 -46.83 89.09 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.186 0.517 . . . . 74.2 109.827 169.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.42 -38.91 81.67 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.691 1.196 . . . . 70.45 112.213 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -66.88 -50.81 61.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.559 0.744 . . . . 74.54 112.301 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.2 -24.05 61.35 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.111 -0.495 . . . . 64.43 111.553 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -74.08 -46.44 42.98 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.83 0.452 . . . . 73.34 111.34 169.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -57.38 -50.99 71.21 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.756 0.823 . . . . 70.32 112.347 -173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 107' ' ' LYS . 39.2 mt-10 -70.06 -22.57 63.06 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.94 -1.027 . . . . 62.43 112.848 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -120.44 19.2 12.07 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.172 0.804 . . . . 74.33 113.172 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -54.63 -68.43 0.19 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.614 1.166 . . . . 62.41 113.752 -170.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.09 20.07 17.34 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.496 0.718 . . . . 72.13 110.122 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 103' ' ' GLU . 22.6 mtpp -113.7 26.01 10.73 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.823 0.849 . . . . 52.12 110.758 -170.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -71.51 131.06 42.75 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.794 0.838 . . . . 74.24 111.948 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 124.164 0.986 . . . . 61.1 110.37 179.774 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mtt . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 109.97 -0.381 . . . . 65.4 109.97 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.09 21.66 58.65 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 117.955 0.343 . . . . 73.14 112.913 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -77.52 -15.69 59.12 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.297 1.039 . . . . 72.33 111.838 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -52.94 112.32 0.83 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.038 0.935 . . . . 71.22 112.612 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -82.3 70.0 9.15 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 121.706 0.765 . . . . 74.51 109.272 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -141.47 115.54 9.28 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.535 1.134 . . . . 53.5 109.3 -176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -81.38 128.66 34.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.343 0.657 . . . . 61.05 111.132 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -79.34 156.2 28.1 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.915 0.486 . . . . 74.14 111.059 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -66.54 168.8 8.56 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.404 1.082 . . . . 62.12 113.332 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -84.8 49.29 1.69 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.659 0.784 . . . . 71.44 110.835 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.6 tpt -82.58 72.96 9.64 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 121.752 0.787 . . . . 75.13 112.142 -170.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.526 HG22 ' HG3' ' A' ' 14' ' ' ARG . 35.3 mm -127.25 117.28 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.329 1.451 . . . . 70.24 108.333 170.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -67.4 88.88 0.21 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.894 0.878 . . . . 61.44 111.659 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.526 ' HG3' HG22 ' A' ' 12' ' ' ILE . 44.7 mtm180 -134.27 115.6 14.31 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.767 0.827 . . . . 75.51 110.122 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -89.42 4.74 48.08 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.073 0.549 . . . . 73.43 111.267 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -82.95 166.75 18.6 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.178 0.591 . . . . 74.43 110.378 167.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 58.19 72.15 0.92 Allowed Pre-proline 0 CA--C 1.564 1.495 0 C-N-CA 124.125 0.97 . . . . 71.3 110.871 -167.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 21' ' ' LYS . 40.6 Cg_exo -61.05 170.41 4.9 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 123.147 2.565 . . . . 72.32 113.992 172.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 55' ' ' GLU . 2.5 mm? -69.05 -33.14 73.09 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.478 0.711 . . . . 73.21 111.076 172.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.96 -49.51 72.27 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.379 0.672 . . . . 72.14 111.164 173.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 88.3 mttt -72.36 -25.33 61.48 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 112.135 0.42 . . . . 74.03 112.135 178.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 33.4 ttmt -65.05 -51.52 61.05 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.844 0.293 . . . . 75.52 110.454 172.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.497 ' HA ' HD23 ' A' ' 50' ' ' LEU . 30.5 mtm180 -51.22 -52.02 48.48 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.674 0.609 . . . . 71.42 111.5 173.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.01 80.96 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.283 0.633 . . . . 43.33 111.951 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -64.91 -32.83 74.73 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.662 1.185 . . . . 62.31 112.54 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 74.8 mt -79.45 -41.97 26.39 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 122.04 -0.412 . . . . 61.3 111.897 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.732 HG12 ' HB1' ' A' ' 46' ' ' ALA . 58.4 mt -59.95 -28.8 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-O 121.801 0.81 . . . . 64.13 110.942 170.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -69.83 -48.02 60.57 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.312 1.045 . . . . 74.44 111.812 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' HD13 ' A' ' 65' ' ' LEU . 42.7 mt-30 -75.77 -24.1 55.99 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 112.171 0.434 . . . . 75.55 112.171 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 94.6 p -68.73 -36.01 77.85 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.909 0.484 . . . . 54.22 111.88 -178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -84.54 -1.28 55.6 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 115.615 -0.72 . . . . 73.11 112.31 177.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -83.3 110.69 18.32 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.392 -0.966 . . . . 71.51 108.392 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' NE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -150.9 152.77 34.13 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.287 0.635 . . . . 74.43 111.783 -170.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.45 -25.56 60.89 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.021 -0.536 . . . . 64.03 112.948 171.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 37' ' ' GLU . 33.2 pt -129.33 153.19 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 123.865 0.866 . . . . 61.25 112.002 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 tp -72.11 -27.45 62.64 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.688 -0.687 . . . . 70.54 111.732 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 35' ' ' ILE . 43.3 mm-40 -56.64 -52.71 63.84 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.398 0.518 . . . . 63.15 112.398 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -74.4 -27.76 60.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.914 0.486 . . . . 62.25 111.917 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.29 -51.25 70.75 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.656 0.382 . . . . 72.31 111.433 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.5 -28.76 69.53 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.678 0.791 . . . . 64.43 111.547 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.9 tp -72.33 -60.7 2.1 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 123.878 0.871 . . . . 62.1 111.767 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.696 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 66.9 mt -75.99 -39.19 56.38 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.755 1.02 . . . . 74.43 113.755 -171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.9 t -63.15 -44.86 94.35 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 118.241 0.473 . . . . 64.43 111.438 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.4 77.45 Favored Glycine 0 CA--C 1.54 1.618 0 CA-C-N 116.152 -0.476 . . . . 71.21 113.318 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.19 -39.63 79.44 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.774 0.83 . . . . 70.44 110.646 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -70.29 -37.01 74.73 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.115 -0.948 . . . . 61.11 112.021 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.55 -25.14 61.26 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.841 0.682 . . . . 75.24 112.841 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -92.81 -55.75 3.25 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 112.732 0.642 . . . . 62.54 112.732 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -81.99 -47.18 12.99 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.99 1.107 . . . . 74.43 113.99 -167.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.3 mp -54.58 -32.55 58.78 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.528 0.936 . . . . 75.33 113.528 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -55.89 -33.38 64.58 Favored 'General case' 0 CA--C 1.56 1.353 0 C-N-CA 124.55 1.14 . . . . 74.43 112.549 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -119.22 -0.51 11.01 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.79 0.836 . . . . 64.34 112.534 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.545 ' SD ' HD23 ' A' ' 58' ' ' LEU . 49.0 ttm -74.99 140.13 43.41 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 123.68 0.792 . . . . 73.42 111.993 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -80.53 161.83 24.62 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.454 0.702 . . . . 71.24 111.478 175.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 19' ' ' LEU . 43.7 tt0 -61.21 -27.68 68.61 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.471 0.708 . . . . 74.13 111.74 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -54.45 -50.12 68.44 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.185 0.994 . . . . 74.2 111.922 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.8 -29.29 40.27 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.234 0.827 . . . . 64.03 113.234 172.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD23 ' SD ' ' A' ' 53' ' ' MET . 86.8 mt -63.45 -37.45 87.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 119.179 0.9 . . . . 71.25 112.263 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.87 -31.39 68.06 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 120.739 0.305 . . . . 75.55 111.079 175.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.82 -36.62 67.56 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.512 0.725 . . . . 75.42 110.763 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 57.5 t80 -69.27 -37.03 77.68 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.69 0.796 . . . . 74.3 110.869 176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.74 -37.86 83.2 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.795 -0.639 . . . . 63.23 110.564 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -64.21 -38.03 89.61 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.539 0.736 . . . . 64.21 111.804 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.79 -28.61 69.14 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.761 0.825 . . . . 73.02 111.2 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.9 mt -78.37 -0.57 29.57 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.413 0.685 . . . . 73.42 112.517 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -107.81 9.18 28.99 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.527 0.731 . . . . 60.11 111.903 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -85.46 -163.06 0.79 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.172 0.589 . . . . 71.13 110.567 172.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -110.83 137.95 47.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 123.522 0.729 . . . . 74.45 110.37 172.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.581 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -45.95 -54.33 8.47 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.857 1.058 . . . . 74.43 113.857 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -52.94 -47.61 67.95 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.582 0.586 . . . . 72.02 112.582 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.96 -48.21 74.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.525 0.33 . . . . 63.42 111.264 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.03 -42.73 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 C-N-CA 123.992 0.917 . . . . 62.05 111.219 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -65.75 -42.82 90.47 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.077 -0.965 . . . . 71.12 111.711 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -74.57 -26.72 60.13 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.216 0.45 . . . . 65.13 112.216 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.499 ' HB3' HD11 ' A' ' 95' ' ' LEU . 38.5 m0 -72.05 -44.02 64.0 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 120.879 0.371 . . . . 60.12 110.606 174.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.26 -51.59 51.17 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.814 0.845 . . . . 30.35 112.856 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.9 p -72.19 -10.78 60.23 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.902 0.481 . . . . 75.53 112.296 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HE2' ' A' ' 80' ' ' PHE . 11.3 tmtt? 62.88 57.81 1.63 Allowed 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.618 1.167 . . . . 75.14 109.208 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -134.93 65.79 1.55 Allowed 'General case' 0 CA--C 1.556 1.193 0 CA-C-N 114.024 -1.444 . . . . 65.53 108.661 -176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HE2' ' HG2' ' A' ' 78' ' ' LYS . 67.6 m-85 -80.95 17.91 1.12 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.082 -0.963 . . . . 74.21 113.058 -174.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -23.76 54.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.668 0.988 . . . . 73.31 113.668 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -131.45 -30.02 1.72 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.633 0.773 . . . . 73.23 111.449 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 95.41 49.12 Favored Pre-proline 0 N--CA 1.489 1.478 0 C-N-CA 123.43 0.692 . . . . 65.14 111.017 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.0 168.44 20.55 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.16 2.573 . . . . 62.3 113.359 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 26.7 tp -89.59 121.46 69.14 Favored Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 123.246 0.618 . . . . 70.03 111.725 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 15.3 Cg_exo -72.28 174.13 11.97 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 123.681 2.921 . . . . 55.01 113.767 174.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.11 -48.03 66.59 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.236 1.014 . . . . 70.53 113.037 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -67.62 -16.14 64.01 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 113.549 0.944 . . . . 71.14 113.549 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -100.85 -17.51 16.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.858 0.463 . . . . 73.21 111.355 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.96 111.21 2.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.03 0.532 . . . . 40.32 110.056 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 69.81 23.86 5.51 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.206 1.403 . . . . 54.03 112.722 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -81.19 129.64 34.67 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.875 0.47 . . . . 71.14 109.893 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 26.0 ttpp -67.61 -38.31 83.78 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 119.208 -0.425 . . . . 65.41 111.005 -177.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.9 tp -52.1 -42.48 63.28 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 123.986 0.914 . . . . 51.31 111.729 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 75' ' ' TRP . 62.6 tp -57.85 -50.76 72.23 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.892 -1.049 . . . . 52.34 111.42 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -65.79 -31.45 72.42 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.936 0.494 . . . . 73.2 112.088 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 13.2 mm100 -61.75 -43.34 99.05 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 121.598 0.713 . . . . 73.4 109.888 171.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.0 tp -71.43 -34.93 70.73 Favored 'General case' 0 CA--C 1.559 1.318 0 C-N-CA 124.909 1.284 . . . . 73.34 111.742 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.35 -43.1 78.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.012 0.925 . . . . 75.54 111.439 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -65.09 -38.49 90.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.952 0.501 . . . . 74.01 110.858 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.96 -40.81 96.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.636 0.375 . . . . 70.01 111.553 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.593 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 28.8 t -58.4 -29.1 65.79 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.05 0.54 . . . . 74.51 112.105 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.44 -13.45 60.39 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 123.696 0.798 . . . . 74.35 112.156 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -105.06 10.82 33.88 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.315 1.046 . . . . 52.32 112.019 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.593 ' HD3' ' HA ' ' A' ' 102' ' ' SER . 23.1 mtpp -87.13 31.49 0.72 Allowed 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.934 0.894 . . . . 73.22 112.16 176.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -87.59 -13.06 43.85 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.806 1.242 . . . . 75.1 112.351 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -75.88 87.12 2.85 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 122.566 1.174 . . . . 72.22 112.286 -171.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.07 165.41 15.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 114.256 -1.338 . . . . 73.13 111.846 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.489 1.476 0 C-N-CA 123.412 0.685 . . . . 74.2 110.26 177.406 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 111.713 0.264 . . . . 71.23 111.713 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 119.19 -168.05 13.34 Favored Glycine 0 C--N 1.354 1.573 0 N-CA-C 114.531 0.573 . . . . 64.13 114.531 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -119.86 164.42 16.04 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.15 0.98 . . . . 71.35 111.459 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -153.39 160.42 42.63 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.321 0.648 . . . . 74.32 111.405 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -69.14 105.82 2.6 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.898 0.879 . . . . 74.3 112.334 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -83.15 161.67 21.52 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.453 0.701 . . . . 71.52 111.762 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -108.69 112.54 24.9 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.866 0.866 . . . . 73.1 109.633 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -75.67 76.83 2.65 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.146 0.578 . . . . 72.24 110.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -82.38 82.24 7.92 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 71.52 111.067 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -146.25 134.12 21.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.06 0.944 . . . . 75.34 110.582 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 ttm -135.24 127.43 30.01 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.27 1.028 . . . . 61.51 108.95 175.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.52 92.75 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.824 0.821 . . . . 74.31 109.494 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -106.93 25.07 11.77 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.854 1.261 . . . . 75.55 110.282 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -85.3 76.93 10.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.619 0.767 . . . . 72.25 110.685 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -60.41 -37.73 81.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 115.429 -0.805 . . . . 72.24 110.13 172.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.23 105.57 16.7 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.249 -0.887 . . . . 55.33 110.47 174.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -152.26 77.72 6.67 Favored Pre-proline 0 CA--C 1.56 1.33 0 C-N-CA 123.193 0.597 . . . . 52.25 110.187 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.556 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 36.1 Cg_exo -62.06 168.72 8.64 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.276 2.65 . . . . 71.35 113.908 170.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -33.27 74.61 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.753 0.821 . . . . 74.34 112.038 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.58 -45.62 89.6 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.006 0.523 . . . . 74.12 111.102 173.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 61.7 mttm -64.85 -39.7 93.98 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 116.515 -0.311 . . . . 73.31 111.391 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -64.46 -40.96 96.7 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.516 0.726 . . . . 64.35 111.406 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HG3' ' HB3' ' A' ' 50' ' ' LEU . 47.3 ttp180 -56.16 -49.06 75.04 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.604 0.762 . . . . 72.14 111.024 173.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.93 95.95 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.97 -0.559 . . . . 51.1 111.969 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -64.19 -36.55 84.41 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.258 1.023 . . . . 63.23 111.976 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HB2' HD21 ' A' ' 50' ' ' LEU . 69.6 mt -73.16 -43.21 61.85 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.53 0.332 . . . . 65.3 111.681 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 50' ' ' LEU . 65.4 mt -60.32 -37.03 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.252 0.548 . . . . 53.34 110.209 173.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -61.33 -48.76 79.86 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.078 0.951 . . . . 74.12 111.454 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -69.62 -19.08 63.64 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.774 0.829 . . . . 70.52 112.43 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.4 m -76.46 -33.46 58.72 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.434 0.693 . . . . 71.11 110.561 172.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -82.39 -14.88 54.49 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.08 0.952 . . . . 70.55 111.584 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -85.98 110.7 19.65 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.513 -0.921 . . . . 63.31 108.513 166.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' ASP . 4.6 mmp_? -147.33 -178.09 6.04 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.62 1.168 . . . . 74.5 109.699 -176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.33 -18.43 5.81 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 116.079 -0.51 . . . . 34.41 112.857 168.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.78 133.77 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 124.039 0.936 . . . . 65.25 111.174 -172.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.23 -33.99 77.07 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.122 0.969 . . . . 60.13 112.472 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -60.21 -46.11 90.87 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.229 0.538 . . . . 73.24 111.166 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -73.75 -31.93 63.59 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 115.714 -0.675 . . . . 71.4 111.752 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.57 ' HA ' ' HG3' ' A' ' 33' ' ' ARG . 34.8 t70 -65.34 -53.92 36.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.226 1.01 . . . . 64.0 111.437 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.33 -40.85 75.09 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.941 0.896 . . . . 71.02 111.428 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.07 -58.94 5.18 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.971 0.908 . . . . 70.2 112.523 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 33' ' ' ARG . 76.3 mt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 112.886 0.699 . . . . 74.22 112.886 -174.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.3 m -64.87 -42.64 94.67 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.375 0.27 . . . . 72.42 111.652 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.33 -39.98 80.96 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 116.22 -0.445 . . . . 35.31 112.749 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -60.78 -39.34 88.49 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.736 0.814 . . . . 71.41 110.612 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -69.16 -39.15 78.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.401 0.68 . . . . 75.41 112.118 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.86 92.65 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.617 -0.72 . . . . 64.04 111.943 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.84 -55.92 3.73 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.391 0.676 . . . . 73.33 112.644 -175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.77 -31.74 46.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.379 1.251 . . . . 71.43 114.379 -166.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 46' ' ' ALA . 10.7 mp -64.51 -19.89 65.87 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.822 0.737 . . . . 74.31 112.534 178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.72 -37.02 70.68 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 122.942 0.497 . . . . 70.41 112.047 172.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -92.09 -24.86 19.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 113.543 0.942 . . . . 64.52 113.543 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 68.8 mtm -84.28 141.13 31.17 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.24 0.83 . . . . 73.22 113.24 -171.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -86.99 167.22 14.44 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.393 1.077 . . . . 74.32 109.348 171.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -55.57 -31.92 62.57 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.459 0.704 . . . . 72.4 112.659 -175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -52.88 -47.59 67.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 123.638 0.775 . . . . 73.05 112.089 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 30.4 mt-10 -78.02 -34.32 50.7 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.269 1.027 . . . . 71.42 111.23 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' HG ' ' A' ' 50' ' ' LEU . 35.9 mt -61.5 -40.27 93.97 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.236 1.014 . . . . 74.55 113.642 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -75.38 -29.84 59.96 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 122.644 0.377 . . . . 74.42 111.121 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -68.63 -35.43 77.27 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 121.294 0.569 . . . . 72.52 109.579 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 33.4 t80 -68.3 -36.26 79.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.181 0.592 . . . . 72.31 111.571 176.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.88 -37.97 86.56 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.792 0.437 . . . . 62.21 110.187 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 58.6 m -64.84 -30.07 71.06 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.685 0.794 . . . . 71.44 112.103 173.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD21 HD22 ' A' ' 98' ' ' LEU . 45.9 tp -75.45 -37.32 60.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.326 0.65 . . . . 63.3 111.244 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 61' ' ' TYR . 71.1 mt -68.09 -28.24 67.17 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.79 0.805 . . . . 74.05 110.303 173.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.63 -20.1 64.45 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.92 1.288 . . . . 72.24 111.999 174.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 63' ' ' SER . 19.8 mm-40 -80.0 172.74 13.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 113.761 1.022 . . . . 75.43 113.761 -175.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.69 126.25 30.68 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 114.22 -1.355 . . . . 74.31 111.347 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -43.91 -66.73 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 115.09 1.515 . . . . 63.23 115.09 -171.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -53.71 -40.5 66.1 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.063 0.392 . . . . 73.13 111.625 -177.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.04 -42.91 93.86 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.761 -0.654 . . . . 72.01 110.957 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 42' ' ' LEU . 75.1 mt -53.59 -45.47 59.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 C-N-CA 123.918 0.887 . . . . 64.25 111.073 174.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -66.89 -40.83 87.88 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.225 -0.898 . . . . 74.43 111.917 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -76.68 -29.06 56.18 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.465 0.543 . . . . 70.22 112.465 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -75.22 -32.38 61.13 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.959 0.504 . . . . 74.42 110.742 173.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.57 76.1 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.431 0.692 . . . . 71.41 111.821 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -95.83 172.76 7.82 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.271 0.628 . . . . 75.24 110.675 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -89.9 69.37 7.48 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 108.069 -1.086 . . . . 73.13 108.069 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -147.8 77.93 1.44 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.956 0.884 . . . . 73.34 109.918 -175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -103.72 0.4 30.48 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 115.338 -0.847 . . . . 64.33 112.164 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.87 -18.87 60.87 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.046 0.538 . . . . 72.03 112.124 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -106.75 -35.2 7.05 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.774 0.83 . . . . 64.42 111.551 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.8 m -130.88 97.12 21.1 Favored Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 123.63 0.772 . . . . 64.52 110.142 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.77 146.82 96.37 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.046 2.497 . . . . 64.13 112.454 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 28.0 tp -84.17 117.51 68.88 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 122.873 0.469 . . . . 72.53 111.034 -177.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.534 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 5.7 Cg_exo -76.68 163.78 31.16 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.079 2.519 . . . . 75.11 111.932 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.7 -38.05 71.76 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 123.833 0.853 . . . . 72.51 112.181 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -59.44 -28.46 66.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.232 1.013 . . . . 75.21 113.652 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -114.44 -4.87 12.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 122.079 -0.388 . . . . 73.11 111.951 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.32 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.801 0.841 . . . . 73.34 112.493 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -121.75 12.23 10.58 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 123.969 0.908 . . . . 74.02 111.808 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -77.37 119.39 20.93 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.226 0.611 . . . . 74.42 111.771 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -69.65 -32.33 70.94 Favored 'General case' 0 CA--C 1.551 1.013 0 O-C-N 123.245 0.34 . . . . 70.23 110.857 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.04 -43.35 81.89 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.487 0.715 . . . . 63.14 111.534 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.61 -39.85 95.41 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.843 -0.617 . . . . 74.14 111.085 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.36 -37.73 88.39 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.011 0.524 . . . . 54.54 110.897 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -64.11 -38.63 91.74 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.989 0.916 . . . . 62.02 111.056 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 64' ' ' LEU . 35.9 tp -69.7 -33.67 72.84 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 124.309 1.044 . . . . 75.33 111.067 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.46 -41.33 69.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.858 0.863 . . . . 74.22 111.422 174.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.85 -40.62 95.96 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.544 0.738 . . . . 64.3 111.179 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 72.7 t80 -69.06 -49.61 55.85 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.893 -0.594 . . . . 74.54 111.356 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -56.59 -40.29 75.01 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.701 0.801 . . . . 71.11 112.748 -173.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.74 -29.79 51.3 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.116 0.566 . . . . 73.02 111.898 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -100.62 31.1 3.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.377 0.671 . . . . 70.12 112.024 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 8.4 mtpm? -80.87 41.9 0.6 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.604 0.716 . . . . 55.01 110.604 168.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.52 10.88 39.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.689 1.196 . . . . 75.54 111.01 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -78.23 -12.67 60.01 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.76 0.824 . . . . 75.0 110.301 171.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.76 172.66 11.05 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.553 1.541 . . . . 74.32 110.051 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 34.6 pt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.135 0.493 . . . . 61.11 111.011 177.793 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 120.427 0.155 . . . . 71.34 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.81 149.93 17.82 Favored Glycine 0 C--N 1.346 1.11 0 N-CA-C 112.344 -0.303 . . . . 43.52 112.344 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -111.96 115.63 29.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.468 0.707 . . . . 75.14 109.671 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -59.42 120.15 8.81 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 122.732 0.413 . . . . 55.11 111.591 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -69.08 117.31 10.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.955 0.502 . . . . 72.14 111.269 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.95 155.37 38.72 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.363 0.665 . . . . 72.14 111.12 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -76.57 -179.58 5.35 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 123.701 0.801 . . . . 75.13 112.447 -174.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -79.92 47.53 0.88 Allowed 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.597 0.759 . . . . 70.13 112.304 177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -74.37 143.49 44.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.476 0.71 . . . . 72.53 112.194 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -68.02 148.9 50.37 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.116 0.566 . . . . 75.04 110.943 173.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.0 ptp -147.38 134.41 20.34 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.087 0.555 . . . . 62.21 110.905 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.91 119.55 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 108.635 -0.876 . . . . 53.42 108.635 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -86.34 115.27 23.77 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 122.359 0.264 . . . . 73.52 110.687 -172.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -81.32 4.67 19.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.826 0.851 . . . . 71.34 113.007 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -74.62 82.78 2.04 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.858 0.837 . . . . 72.03 111.766 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -152.68 139.86 19.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.364 1.065 . . . . 74.21 108.474 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -120.23 112.42 34.58 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 123.013 0.525 . . . . 64.23 110.634 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 49.5 Cg_exo -59.04 159.18 22.61 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 123.138 2.558 . . . . 72.35 112.989 167.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.97 -36.45 72.59 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.296 1.038 . . . . 60.11 111.506 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.67 -34.29 73.77 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.39 0.676 . . . . 74.11 111.605 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 88.5 mttt -74.69 -30.26 61.5 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.62 0.368 . . . . 75.4 111.64 173.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' HE3' HD11 ' A' ' 26' ' ' LEU . 35.3 tttp -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.919 0.487 . . . . 71.35 110.267 170.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -52.81 -50.74 63.06 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.604 1.162 . . . . 63.12 111.428 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.56 84.97 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.273 0.629 . . . . 53.32 112.134 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -71.41 -33.35 69.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.263 0.625 . . . . 73.24 112.029 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' HE3' ' A' ' 22' ' ' LYS . 93.4 mt -66.0 -45.36 81.87 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.408 -0.182 . . . . 63.34 110.519 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.542 HG12 ' HB1' ' A' ' 46' ' ' ALA . 70.8 mt -56.94 -39.05 62.89 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 123.709 0.804 . . . . 71.33 111.116 173.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -65.17 -39.07 92.42 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.525 1.13 . . . . 74.11 112.118 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.7 mt-30 -79.95 -16.38 55.37 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 123.884 0.874 . . . . 71.23 111.77 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -72.75 -35.99 67.6 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.818 0.847 . . . . 74.44 109.983 169.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -80.16 -10.32 59.76 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.765 -1.107 . . . . 51.42 112.59 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 59.7 mttm -101.73 112.74 25.44 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.023 -0.732 . . . . 63.34 109.023 167.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -150.74 158.83 44.61 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.558 0.743 . . . . 74.3 110.54 -173.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.9 -31.34 69.9 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 116.455 -0.339 . . . . 75.15 113.322 178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 37' ' ' GLU . 41.8 pt -130.84 151.62 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.29 0.636 . . . . 71.22 111.893 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.8 -19.43 60.76 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.965 0.906 . . . . 74.01 112.722 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' HB2' HD12 ' A' ' 35' ' ' ILE . 10.6 mp0 -64.64 -52.78 55.6 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.204 0.602 . . . . 75.13 110.651 176.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.6 m -73.26 -28.79 62.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.354 0.662 . . . . 73.1 111.257 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -56.04 -48.59 75.72 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.703 0.401 . . . . 74.43 111.319 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.82 -40.09 83.13 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.147 0.579 . . . . 72.14 111.689 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.73 -58.39 7.64 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.35 1.06 . . . . 72.23 112.012 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.73 -37.2 59.58 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.828 1.047 . . . . 74.12 113.828 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.8 m -65.31 -42.26 93.21 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 118.284 0.493 . . . . 70.42 111.717 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -41.03 84.36 Favored Glycine 0 CA--C 1.536 1.386 0 CA-C-N 116.556 -0.293 . . . . 72.43 112.5 173.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -62.04 -35.27 78.1 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.039 0.936 . . . . 74.44 110.63 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -74.16 -40.56 62.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.239 0.616 . . . . 71.55 111.822 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.62 87.71 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 116.221 -0.445 . . . . 61.23 111.934 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -82.36 -55.5 4.47 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.559 0.744 . . . . 65.55 112.59 -177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -78.12 -49.6 13.6 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 118.796 -0.621 . . . . 72.25 112.528 -171.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 46' ' ' ALA . 7.9 mp -60.75 -22.54 64.14 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.562 0.949 . . . . 71.04 113.562 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -64.1 -33.37 75.61 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 122.367 0.267 . . . . 72.21 111.556 174.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.27 12.06 12.45 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.598 0.759 . . . . 72.14 112.284 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 58' ' ' LEU . 55.6 ttm -83.61 133.32 34.85 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.436 0.694 . . . . 74.14 111.293 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -74.91 160.82 30.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.776 0.43 . . . . 74.21 111.748 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.86 -39.49 77.92 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.465 1.106 . . . . 62.53 111.656 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.8 -41.7 95.59 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.147 0.979 . . . . 72.11 112.585 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -69.37 -33.53 73.2 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.21 111.65 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.607 HD23 ' SD ' ' A' ' 53' ' ' MET . 84.6 mt -58.42 -29.22 65.94 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.058 0.943 . . . . 72.1 112.394 176.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.93 -36.98 72.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.451 0.7 . . . . 73.25 112.165 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -70.93 -38.21 72.9 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.053 0.454 . . . . 74.3 110.529 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -68.84 -33.52 73.96 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.095 -0.502 . . . . 62.04 111.37 175.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.87 -44.94 86.95 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.878 0.871 . . . . 72.4 109.353 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m -57.25 -43.92 83.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.939 0.896 . . . . 34.32 112.225 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.38 -31.67 72.37 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.97 0.908 . . . . 72.12 111.852 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 29' ' ' GLN . 91.5 mt -75.12 -15.5 60.59 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 113.007 0.744 . . . . 65.24 113.007 178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -88.11 -14.85 37.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.911 0.484 . . . . 62.4 111.675 171.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.78 157.41 28.46 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.862 0.465 . . . . 52.32 112.179 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.62 124.48 23.37 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.742 0.817 . . . . 73.32 110.203 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' ' HG3' ' A' ' 33' ' ' ARG . 1.3 p30 -46.33 -56.22 6.15 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 124.655 1.182 . . . . 74.51 113.966 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -50.89 -47.37 60.62 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.204 0.602 . . . . 75.21 112.205 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.42 -49.06 78.65 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.59 0.756 . . . . 70.32 111.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -54.59 -40.01 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 123.878 0.871 . . . . 73.24 111.185 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -70.63 -43.23 69.66 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.645 -0.707 . . . . 72.14 111.544 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -66.4 -34.54 78.19 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.288 0.635 . . . . 73.31 112.236 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.501 ' HB3' HD11 ' A' ' 95' ' ' LEU . 34.5 m0 -70.5 -40.43 73.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.754 0.422 . . . . 74.42 110.741 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.89 69.99 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.493 0.717 . . . . 74.53 112.401 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 p -97.19 -1.82 44.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.594 0.757 . . . . 75.0 112.154 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 65.85 14.51 9.6 Favored 'General case' 0 CA--C 1.571 1.756 0 C-N-CA 125.201 1.4 . . . . 64.23 112.403 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.49 84.58 6.78 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.576 0.751 . . . . 72.14 110.036 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -91.13 14.65 13.57 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 123.212 0.605 . . . . 74.43 112.304 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -56.99 -46.97 81.88 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 124.407 1.083 . . . . 53.53 112.422 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t -109.44 -26.39 10.02 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.155 0.582 . . . . 74.45 112.419 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -124.44 95.76 42.6 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 123.455 0.702 . . . . 75.03 110.443 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.67 160.6 35.69 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.26 2.64 . . . . 64.14 113.359 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' HD2' ' A' ' 86' ' ' PRO . 34.3 tp -91.85 123.21 63.83 Favored Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 122.797 0.439 . . . . 74.33 111.465 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.612 ' HD2' HD12 ' A' ' 85' ' ' LEU . 86.5 Cg_endo -81.58 157.96 19.12 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 123.03 2.487 . . . . 64.13 112.543 174.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.46 -33.03 70.79 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.188 0.995 . . . . 62.45 113.1 -176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -56.33 -39.1 72.27 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.77 0.828 . . . . 61.3 112.073 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.452 ' HB3' HD22 ' A' ' 95' ' ' LEU . 83.4 m95 -97.4 -26.39 14.88 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.856 0.463 . . . . 74.21 111.996 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.62 89.0 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 121.274 0.559 . . . . 75.13 111.668 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.7 11.82 38.74 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.615 0.766 . . . . 73.5 112.385 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.3 p -92.69 139.82 30.17 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.675 0.39 . . . . 64.5 110.898 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -70.87 -36.51 72.84 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.669 0.788 . . . . 74.14 111.382 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.5 tp -58.39 -45.94 87.34 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.22 1.008 . . . . 75.24 112.735 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.793 ' HG ' HE22 ' A' ' 99' ' ' GLN . 40.0 tp -58.75 -43.75 90.34 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 121.047 0.451 . . . . 73.23 110.88 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.14 -27.43 66.44 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.793 0.437 . . . . 74.34 111.456 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -65.72 -36.07 82.57 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.437 0.695 . . . . 73.5 111.337 167.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.27 -43.49 77.66 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.257 1.023 . . . . 65.52 112.425 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.793 HE22 ' HG ' ' A' ' 95' ' ' LEU . 1.4 mp0 -63.49 -46.76 84.65 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.169 0.433 . . . . 54.23 112.169 176.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.25 -24.15 63.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 111.631 0.234 . . . . 72.43 111.631 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.14 -39.85 65.37 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.578 0.351 . . . . 75.11 110.941 169.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.8 t -57.15 -30.79 64.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.581 0.752 . . . . 72.12 111.427 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -66.14 -49.87 65.96 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.715 0.806 . . . . 74.33 110.738 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 104' ' ' ASN . 0.8 OUTLIER -69.5 -15.32 63.23 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.381 1.072 . . . . 71.12 112.876 -176.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -65.77 -20.33 66.22 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.678 0.791 . . . . 62.31 112.25 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.24 20.38 11.57 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.757 0.823 . . . . 62.33 111.57 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt 54.29 43.65 30.2 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.234 1.414 . . . . 55.22 113.404 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -89.87 16.11 8.7 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.381 0.882 . . . . 75.32 113.381 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.487 1.411 0 C-N-CA 124.807 1.243 . . . . 74.22 111.833 -173.693 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.313 0.101 . . . . 73.1 111.039 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.02 165.28 31.37 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 114.663 0.625 . . . . 24.13 114.663 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -79.19 95.27 5.57 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-O 121.726 0.774 . . . . 75.41 110.194 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.2 p80 -126.02 30.87 5.56 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.783 0.833 . . . . 74.54 110.749 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -57.3 -44.81 84.4 Favored 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 123.94 0.896 . . . . 75.31 111.813 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.2 m170 57.87 85.58 0.09 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.942 1.297 . . . . 50.3 113.263 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.16 119.77 31.54 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 75.32 109.461 173.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -65.06 100.14 0.41 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.313 0.645 . . . . 74.23 111.608 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 t -64.22 127.82 33.11 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.589 0.756 . . . . 72.05 110.381 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.69 31.97 0.47 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.289 0.848 . . . . 72.45 113.289 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 70.9 mtp -83.57 145.43 28.87 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.326 1.051 . . . . 73.31 111.019 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.6 mt -69.21 87.92 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-O 121.326 0.584 . . . . 64.21 110.751 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -136.61 1.09 2.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.448 1.099 . . . . 65.14 111.456 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -85.55 -6.54 59.17 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.743 0.817 . . . . 71.45 110.952 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -75.68 7.26 3.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.959 1.303 . . . . 53.52 113.163 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.38 -78.33 0.45 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.494 0.717 . . . . 54.2 111.11 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 51.23 83.76 0.22 Allowed Pre-proline 0 CA--C 1.569 1.688 0 C-N-CA 124.873 1.269 . . . . 64.44 112.865 -173.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.568 ' HD2' ' HD2' ' A' ' 21' ' ' LYS . 73.8 Cg_endo -73.07 167.27 27.78 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.681 2.254 . . . . 74.12 113.249 170.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -34.36 77.9 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.054 0.942 . . . . 73.33 110.919 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.46 -28.32 67.77 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.628 0.771 . . . . 75.21 112.666 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HD2' ' HD2' ' A' ' 18' ' ' PRO . 30.5 mttm -66.83 -41.56 87.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 119.429 -0.319 . . . . 73.55 111.103 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 40.1 ttpt -58.16 -53.44 58.21 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 123.234 0.334 . . . . 70.12 110.648 172.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -53.54 -53.23 54.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.883 0.873 . . . . 63.45 112.314 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.71 87.99 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.237 0.615 . . . . 53.41 111.943 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.96 -31.54 69.31 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.61 0.764 . . . . 52.04 112.025 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 97.5 mt -70.01 -44.19 69.82 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.429 0.292 . . . . 74.04 110.844 174.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 46' ' ' ALA . 66.1 mt -60.35 -32.32 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 C-N-CA 123.234 0.614 . . . . 72.34 110.744 172.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.57 -53.61 39.5 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.514 0.726 . . . . 71.35 110.805 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' HB2' HD13 ' A' ' 65' ' ' LEU . 46.5 mt-30 -66.19 -18.08 65.13 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.51 112.509 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.57 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 83.0 p -83.38 -46.19 12.84 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.45 0.7 . . . . 74.4 111.883 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -80.45 1.41 29.35 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.545 -0.752 . . . . 72.43 111.68 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -115.84 109.48 17.69 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 109.053 -0.721 . . . . 70.11 109.053 168.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.9 mmp_? -135.63 -171.37 2.83 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 124.553 1.141 . . . . 74.03 110.046 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.74 -26.87 25.87 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-N 116.359 -0.382 . . . . 62.01 112.401 168.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.6 pt -126.27 141.6 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.629 0.771 . . . . 61.04 111.678 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -21.79 64.43 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.828 0.851 . . . . 62.23 111.172 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.32 -52.38 64.94 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.762 0.825 . . . . 74.4 111.026 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.6 m -74.29 -28.28 61.11 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.66 -0.7 . . . . 43.54 111.708 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -54.82 -45.21 74.4 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 118.286 0.494 . . . . 74.11 111.284 169.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.41 -41.49 94.02 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 122.838 0.455 . . . . 72.44 111.649 176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 62.0 tp -65.53 -60.54 2.83 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.417 -0.81 . . . . 74.32 111.815 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 33' ' ' ARG . 69.1 mt -76.2 -34.39 59.27 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.882 1.067 . . . . 70.34 113.882 -172.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -67.46 -44.62 78.16 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 118.921 0.782 . . . . 63.13 111.004 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.07 99.75 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 116.097 -0.501 . . . . 65.15 112.303 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.81 -35.35 77.94 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.17 0.988 . . . . 73.23 111.007 175.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -73.16 -48.45 35.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.976 0.51 . . . . 75.14 112.292 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.11 61.57 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.0 -0.546 . . . . 51.13 112.011 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -92.59 -56.59 2.96 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.307 0.643 . . . . 75.12 112.104 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -81.81 -41.24 21.39 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 113.865 1.061 . . . . 65.04 113.865 -171.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 46' ' ' ALA . 9.8 mp -62.96 -23.61 67.5 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 119.558 1.072 . . . . 61.52 112.539 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.78 -34.36 77.66 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.624 0.77 . . . . 73.53 111.325 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -22.17 16.83 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.032 0.753 . . . . 72.14 113.032 177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.9 mtm -80.62 143.6 32.99 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-O 121.727 0.775 . . . . 74.35 112.487 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -100.73 -177.7 3.55 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.506 -1.224 . . . . 73.2 110.098 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -48.69 -46.28 40.26 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.522 1.129 . . . . 74.32 113.163 -171.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.68 -45.73 81.75 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.997 0.919 . . . . 70.4 112.263 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.07 -38.11 75.66 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.457 -0.792 . . . . 61.14 111.698 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HG ' ' A' ' 50' ' ' LEU . 45.1 mt -61.36 -46.7 89.1 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.502 0.927 . . . . 62.52 113.502 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.62 -27.91 66.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 122.039 -0.413 . . . . 74.43 111.836 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.17 -38.37 81.98 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.152 0.581 . . . . 63.52 110.316 170.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' HD1' HD11 ' A' ' 94' ' ' LEU . 38.3 t80 -62.41 -34.59 77.05 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.478 0.711 . . . . 73.1 112.47 178.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.07 -46.26 75.42 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.267 0.627 . . . . 71.12 111.592 177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.6 m -55.5 -38.2 68.85 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.875 0.87 . . . . 74.31 112.601 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.12 -34.33 76.18 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.717 0.807 . . . . 73.25 111.66 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 29' ' ' GLN . 62.2 mt -71.47 -23.58 61.85 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.701 0.8 . . . . 72.32 111.966 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -80.33 -12.42 59.6 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.997 0.519 . . . . 73.13 111.831 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -79.78 161.37 25.74 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.12 0.568 . . . . 73.44 111.816 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.91 123.72 20.98 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.286 1.034 . . . . 65.41 109.608 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.505 ' HA ' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -50.18 -46.19 54.07 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 114.175 1.176 . . . . 61.41 114.175 -176.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -55.61 -48.49 74.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.658 0.383 . . . . 72.31 111.823 173.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.75 -47.49 84.46 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.421 0.688 . . . . 74.25 111.327 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 69' ' ' ASP . 78.5 mt -51.03 -43.62 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 C-N-CA 124.148 0.979 . . . . 72.31 111.148 175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -71.3 -38.26 71.76 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 115.205 -0.907 . . . . 75.12 111.688 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -78.45 -21.41 49.14 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 112.814 0.672 . . . . 72.45 112.814 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -80.01 -38.67 31.58 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.844 0.457 . . . . 74.44 109.932 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 102' ' ' SER . . . -61.15 -33.42 73.39 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.558 0.743 . . . . 43.51 111.512 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.8 p -104.61 -171.38 1.91 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.771 0.828 . . . . 74.14 110.726 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -111.44 92.69 4.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.332 0.653 . . . . 73.24 109.48 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -127.12 -74.45 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.681 -0.859 . . . . 54.32 108.681 171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 66.58 -4.11 0.78 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 125.145 1.378 . . . . 72.04 114.626 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.04 -59.0 2.95 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.551 0.74 . . . . 72.31 109.615 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.8 p -66.38 -40.52 89.77 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.341 1.056 . . . . 60.44 111.103 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m -143.42 92.74 6.55 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.71 1.204 . . . . 72.35 109.946 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.69 161.23 46.78 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.877 2.384 . . . . 74.53 113.161 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -85.73 121.6 73.22 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 122.955 0.502 . . . . 71.31 111.106 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' HB2' ' HG2' ' A' ' 88' ' ' LYS . 13.9 Cg_exo -72.76 153.96 53.91 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 123.142 2.561 . . . . 51.32 112.465 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.26 -34.39 72.19 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.583 1.153 . . . . 71.31 112.594 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.526 ' HG2' ' HB2' ' A' ' 86' ' ' PRO . 20.7 ptmt -56.12 -36.73 68.54 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.596 1.158 . . . . 72.51 113.38 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.447 ' HB3' HD22 ' A' ' 95' ' ' LEU . 88.2 m95 -92.14 -19.62 22.09 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 122.955 0.502 . . . . 64.24 112.168 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.0 67.15 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.534 0.734 . . . . 61.45 112.951 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -101.51 -21.45 14.75 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.369 0.668 . . . . 74.31 112.371 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.6 m -64.13 126.41 27.63 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.148 0.579 . . . . 63.43 112.454 -174.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 97' ' ' GLN . 62.0 tttm -62.99 -35.24 79.54 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.079 0.552 . . . . 71.35 110.52 175.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.576 HD11 ' HD1' ' A' ' 61' ' ' TYR . 47.4 tp -50.28 -49.71 52.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.511 1.124 . . . . 74.23 113.086 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 89' ' ' TRP . 56.7 tp -61.76 -37.53 84.65 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.109 -0.496 . . . . 55.45 111.031 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.68 -37.53 87.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.763 0.425 . . . . 63.24 109.958 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 93' ' ' LYS . 20.8 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.805 0.842 . . . . 73.21 110.767 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.84 -40.88 83.69 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.316 1.046 . . . . 73.3 111.389 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.2 -28.06 67.77 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.556 1.143 . . . . 74.43 112.181 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -71.45 -54.65 9.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.7 0.4 . . . . 70.52 110.807 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 104' ' ' ASN . 54.2 t80 -64.43 -34.43 78.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.888 0.699 . . . . 71.44 112.888 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.45 ' HA ' ' HE3' ' A' ' 105' ' ' LYS . 87.9 p -51.55 -41.27 60.98 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.249 0.62 . . . . 54.41 111.44 176.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -80.56 -32.43 36.64 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 115.418 -0.81 . . . . 75.44 111.354 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 104' ' ' ASN . 0.8 OUTLIER -87.72 9.72 20.63 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 124.19 0.996 . . . . 75.22 113.337 -176.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.6 ' HD3' ' HA ' ' A' ' 41' ' ' LEU . 10.2 mtmp? -70.96 82.83 0.67 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.254 0.549 . . . . 62.14 110.685 173.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -117.28 -44.89 2.75 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.399 0.679 . . . . 72.24 111.261 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -104.0 84.81 2.3 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.134 0.492 . . . . 72.11 111.433 -178.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.45 74.51 6.08 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 122.142 0.972 . . . . 65.43 110.574 172.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 42.4 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-N 115.499 -0.773 . . . . 75.33 112.096 -173.584 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 121.058 0.456 . . . . 71.44 111.703 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.18 -27.48 6.13 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 116.558 1.383 . . . . 72.3 116.558 165.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -161.76 145.26 12.34 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 118.181 0.991 . . . . 63.34 112.512 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -88.79 -64.81 1.09 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 108.748 -0.834 . . . . 74.54 108.748 167.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -138.14 98.25 3.58 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.202 1.001 . . . . 72.42 108.672 170.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -71.77 -41.01 68.88 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.923 -0.58 . . . . 54.23 110.442 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -89.89 111.31 22.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.008 0.523 . . . . 72.32 109.831 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -157.76 130.15 7.23 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.248 0.619 . . . . 64.3 110.638 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 t 59.12 -164.86 0.2 Allowed 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.025 0.93 . . . . 54.32 111.754 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.1 t60 72.48 -9.16 1.09 Allowed 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 124.622 1.169 . . . . 75.34 113.632 168.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.7 ttt -81.89 79.55 8.4 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 123.363 0.665 . . . . 74.21 111.849 -173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mt 45.49 92.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 126.051 1.74 . . . . 64.44 114.22 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -112.78 -20.22 11.71 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.835 0.854 . . . . 71.32 111.837 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -99.31 132.92 44.3 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.707 0.803 . . . . 62.31 112.042 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.5 p -84.26 -35.93 23.03 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.346 0.658 . . . . 72.04 111.034 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 65.48 76.84 0.32 Allowed 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.024 1.33 . . . . 54.41 110.742 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 61.33 98.69 0.04 OUTLIER Pre-proline 0 CA--C 1.561 1.393 0 C-N-CA 124.74 1.216 . . . . 73.33 112.239 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.3 138.59 64.46 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.09 2.527 . . . . 71.53 112.664 169.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -65.58 -26.85 68.04 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.346 0.659 . . . . 74.41 110.521 177.334 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.54 -42.6 71.12 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.179 0.992 . . . . 75.41 110.841 170.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.68 -32.24 65.65 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.141 0.576 . . . . 72.05 112.49 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -62.4 -52.04 65.15 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-O 120.949 0.404 . . . . 65.24 110.193 173.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HE ' HD11 ' A' ' 58' ' ' LEU . 95.8 mtt180 -60.94 -41.28 95.96 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.435 -0.802 . . . . 74.43 110.916 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.92 78.15 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.269 0.628 . . . . 71.13 111.337 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -67.48 -40.58 85.26 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.614 0.766 . . . . 74.23 111.827 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.43 -45.75 68.41 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.916 0.389 . . . . 74.55 111.087 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.681 HG12 ' HB1' ' A' ' 46' ' ' ALA . 73.6 mt -60.76 -34.23 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.719 1.207 . . . . 75.32 111.254 172.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -63.11 -54.21 41.44 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.133 0.973 . . . . 72.13 111.248 174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HB2' HD13 ' A' ' 65' ' ' LEU . 45.0 mt-30 -68.48 -22.18 64.57 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 62.0 112.61 -176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.738 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 96.2 p -80.0 -27.5 39.58 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.973 0.509 . . . . 64.3 111.692 175.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -86.35 -16.27 37.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.97 0.508 . . . . 72.41 111.525 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -87.63 107.82 18.79 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.903 -1.147 . . . . 70.01 107.903 166.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 42' ' ' LEU . 5.7 mmp_? -145.12 169.99 17.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.606 1.162 . . . . 64.15 109.022 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.42 -57.84 4.89 Favored Glycine 0 CA--C 1.541 1.688 0 CA-C-N 116.492 -0.322 . . . . 44.43 112.445 169.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.561 HD12 ' HB2' ' A' ' 37' ' ' GLU . 32.8 pt -99.19 148.02 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.512 0.725 . . . . 70.44 112.385 -179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 39' ' ' ASP . 3.4 mm? -74.03 -15.95 61.07 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.646 -0.706 . . . . 62.32 112.245 174.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 35' ' ' ILE . 41.4 mt-10 -62.7 -48.75 77.92 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.214 0.531 . . . . 73.31 111.144 176.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.4 m -72.02 -34.3 68.71 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.339 0.656 . . . . 74.03 111.134 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' HB3' ' HA ' ' A' ' 36' ' ' LEU . 19.1 t70 -55.27 -55.28 33.2 Favored 'General case' 0 C--O 1.208 -1.129 0 C-N-CA 123.229 0.611 . . . . 70.12 111.289 177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -56.55 -39.39 73.34 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 123.847 0.859 . . . . 73.41 112.406 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.88 -57.03 13.36 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.652 -0.704 . . . . 72.1 111.51 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.738 ' HB3' ' HB2' ' A' ' 30' ' ' SER . 77.2 mt -73.97 -25.46 59.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.95 0.9 . . . . 63.3 112.914 -177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -63.16 -49.96 72.28 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.622 0.769 . . . . 72.13 111.273 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.92 88.32 Favored Glycine 0 CA--C 1.538 1.527 0 CA-C-N 115.99 -0.55 . . . . 53.12 112.933 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -63.97 -44.32 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.842 0.857 . . . . 75.52 111.652 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB1' HG12 ' A' ' 27' ' ' ILE . . . -70.4 -44.71 67.41 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.079 0.551 . . . . 61.24 112.385 -177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -29.27 70.22 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 115.802 -0.636 . . . . 63.12 112.35 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -89.79 -55.39 3.65 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.562 0.745 . . . . 74.2 111.85 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.28 -45.45 47.59 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.486 0.921 . . . . 75.21 113.486 -169.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD22 HG13 ' A' ' 27' ' ' ILE . 10.0 mp -61.87 -26.53 68.2 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.616 0.969 . . . . 60.35 113.616 -174.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -66.28 -43.73 85.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.795 0.438 . . . . 64.2 111.295 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -89.86 -18.6 25.89 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.137 0.575 . . . . 74.24 112.49 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 52.2 mtm -83.57 137.0 34.04 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.269 0.557 . . . . 71.53 111.54 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.1 m-20 -80.16 166.94 20.96 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.031 -0.986 . . . . 73.34 110.423 173.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' HG3' HD11 ' A' ' 19' ' ' LEU . 2.7 mp0 -56.94 -31.06 64.59 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.648 1.179 . . . . 74.21 112.173 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.34 -36.52 84.28 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.192 0.997 . . . . 71.12 110.918 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.04 -40.31 24.42 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.435 1.094 . . . . 72.34 112.189 175.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 54' ' ' ASN . 84.8 mt -56.08 -37.16 68.96 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 124.658 1.183 . . . . 72.51 114.05 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.71 -28.45 68.44 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 122.877 0.471 . . . . 62.02 112.061 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -71.79 -34.68 69.6 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.799 0.44 . . . . 75.25 110.47 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.96 -35.12 80.15 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.725 0.41 . . . . 73.41 111.553 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -32.74 70.78 Favored 'General case' 0 CA--C 1.561 1.404 0 C-N-CA 123.79 0.836 . . . . 71.32 111.581 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -65.42 -36.6 84.42 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.493 0.717 . . . . 61.23 111.722 175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 tp -69.35 -29.7 67.56 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.679 0.792 . . . . 65.25 112.005 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' A' ' 29' ' ' GLN . 61.1 mt -66.88 -24.52 66.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.568 0.747 . . . . 65.14 112.108 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -77.22 -17.32 58.56 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.32 1.048 . . . . 74.43 111.987 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.58 157.99 23.26 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.373 0.669 . . . . 62.23 111.621 -173.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.42 135.41 56.93 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.61 0.764 . . . . 73.24 109.697 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.97 -55.08 7.28 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.661 1.185 . . . . 73.53 111.975 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -54.4 -46.94 73.24 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.354 -0.839 . . . . 74.54 112.026 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 75' ' ' TRP . 0.9 OUTLIER -60.96 -47.86 84.46 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.381 0.672 . . . . 52.14 112.158 -179.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 42' ' ' LEU . 77.6 mt -52.53 -46.94 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 C-N-CA 123.537 0.735 . . . . 73.54 110.752 175.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.11 -39.58 82.74 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 115.026 -0.988 . . . . 73.22 111.823 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -76.4 -41.91 46.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.614 0.598 . . . . 62.34 112.614 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD11 ' A' ' 95' ' ' LEU . 22.9 m0 -62.59 -37.33 85.81 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.144 0.497 . . . . 71.01 110.294 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.477 ' HB1' ' OG ' ' A' ' 102' ' ' SER . . . -63.67 -47.28 81.87 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.301 1.041 . . . . 62.12 112.326 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -81.64 0.4 38.73 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 123.52 0.728 . . . . 73.41 112.013 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 tttp 74.39 12.64 3.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.418 1.487 . . . . 60.41 112.431 172.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.33 86.68 7.34 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.869 0.868 . . . . 65.15 110.379 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -88.91 4.68 47.11 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.472 0.709 . . . . 61.44 112.896 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -64.02 -60.08 3.68 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.222 0.609 . . . . 42.44 111.793 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -80.78 -38.14 29.04 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.863 0.865 . . . . 74.22 111.868 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 m -114.92 96.5 44.97 Favored Pre-proline 0 N--CA 1.483 1.212 0 C-N-CA 123.8 0.84 . . . . 72.34 110.185 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.97 149.91 66.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.907 2.405 . . . . 54.52 112.28 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.9 tp -83.12 123.64 77.2 Favored Pre-proline 0 CA--C 1.561 1.384 0 C-N-CA 123.221 0.609 . . . . 70.24 111.78 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -67.55 157.5 61.47 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.535 2.823 . . . . 74.53 112.825 169.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.82 -36.1 82.06 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.118 0.967 . . . . 74.21 112.784 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -60.12 -27.28 66.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.572 0.749 . . . . 63.24 112.74 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -96.06 -14.44 22.92 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.714 0.406 . . . . 74.01 112.072 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.82 102.85 0.13 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.824 0.45 . . . . 73.42 110.952 175.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 68.61 17.5 8.95 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.014 1.326 . . . . 75.45 113.233 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -66.71 137.66 56.84 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.215 0.606 . . . . 52.41 110.932 173.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -55.27 -49.81 71.12 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.068 0.547 . . . . 75.12 111.231 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 tp -56.82 -42.4 79.54 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.488 0.715 . . . . 72.14 112.284 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 75' ' ' TRP . 31.7 tp -63.68 -43.58 96.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.246 178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -59.89 -46.14 90.29 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.231 0.612 . . . . 71.3 110.871 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.99 -37.79 83.71 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.148 0.979 . . . . 62.15 111.602 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.8 tp -68.98 -42.33 76.7 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.784 0.833 . . . . 73.42 111.248 179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -65.93 -43.57 87.7 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.606 0.762 . . . . 73.01 111.584 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.26 -37.56 87.72 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.167 0.587 . . . . 64.14 110.992 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -70.73 -42.94 69.87 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 111.741 0.274 . . . . 75.54 111.741 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.477 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 60.6 m -62.44 -38.0 88.05 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.152 0.797 . . . . 73.5 113.152 -174.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG3' ' ND2' ' A' ' 104' ' ' ASN . 11.0 pt-20 -81.63 -27.97 33.9 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.175 0.435 . . . . 74.55 112.175 176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.449 ' ND2' ' HG3' ' A' ' 103' ' ' GLU . 65.8 m-80 -109.19 37.87 2.46 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 123.403 0.681 . . . . 61.31 111.609 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -66.14 -62.09 1.67 Allowed 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 124.19 0.996 . . . . 72.23 112.474 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -122.9 23.57 9.32 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.8 0.84 . . . . 75.23 112.061 -167.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -69.89 -8.67 50.57 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.071 0.767 . . . . 71.42 113.071 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.65 153.39 42.88 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.699 0.799 . . . . 72.03 111.478 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.599 0.76 . . . . 72.22 110.52 175.909 . . . . . . . . 0 0 . 1 stop_ save_