data_5u77_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 5u77 _Structure_validation_residue.Date_analyzed 2017-10-13 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 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 304' ' ' HOH . . . . . . . . 0 C--O 1.215 -1.036 0 CA-C-O 120.97 0.205 . . . . 107.62 113.321 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.05 135.9 27.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 N-CA-C 113.072 0.767 . . . . 129.41 113.072 -174.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 -48.06 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-O 121.008 0.432 . . . . 106.42 111.98 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtp -141.75 141.58 33.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.549 -0.908 . . . . 141.5 108.549 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.54 128.22 21.64 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 112.063 0.394 . . . . 88.010000000000005 112.063 169.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -163.35 164.07 24.9 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 111.877 0.325 . . . . 107.83 111.877 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -68.38 134.4 50.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 108.357 -0.979 . . . . 63.600000000000001 108.357 168.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . 0.428 ' HB2' ' HG ' ' A' ' 29' ' ' CYS . 40.5 mt -131.74 152.04 51.21 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-O 121.288 0.566 . . . . 59.509999999999998 110.449 172.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -99.28 123.93 43.96 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.184 -0.606 . . . . 124.36 110.456 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.9 mt -122.83 134.79 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.327 -0.851 . . . . 86.739999999999995 112.305 -169.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 104' ' ' ILE . 11.8 ptm180 -132.36 158.6 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.741 0.781 . . . . 127.81 112.631 175.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.26 -137.67 6.35 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.236 -1.347 . . . . 63.710000000000001 110.165 174.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m -62.81 -41.68 99.4 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.725 0.774 . . . . 52.119999999999997 109.361 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -72.79 148.82 44.19 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.231 -0.895 . . . . 49.149999999999999 111.057 -176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -64.85 -17.01 63.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.654 -0.703 . . . . 134.44 112.305 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.8 t -67.63 143.26 56.11 Favored 'General case' 0 C--O 1.203 -1.347 0 N-CA-C 114.423 1.268 . . . . 143.90000000000001 114.423 -176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -113.22 135.34 53.94 Favored 'General case' 0 CA--C 1.489 -1.398 0 C-N-CA 123.298 0.639 . . . . 69.060000000000002 110.439 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.5 m -119.65 134.54 55.19 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 111.91 0.337 . . . . 109.91 111.91 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -93.92 118.95 32.18 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.471 -0.936 . . . . 130.84999999999999 108.471 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -134.93 160.54 37.93 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.929 -0.578 . . . . 56.659999999999997 111.59 -172.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 42' ' ' GLN . 76.6 t-105 -97.59 115.87 28.71 Favored 'General case' 0 CA--C 1.488 -1.427 0 N-CA-C 109.33 -0.619 . . . . 88.019999999999996 109.33 -175.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HG ' ' HB2' ' A' ' 15' ' ' LEU . 59.9 m -115.63 131.6 56.89 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 112.615 0.598 . . . . 84.920000000000002 112.615 -172.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -113.95 123.82 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 109.75 -0.463 . . . . 63.329999999999998 109.75 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -100.8 121.49 41.78 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 120.457 -0.497 . . . . 81.379999999999995 110.703 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HB2' ' CD ' ' A' ' 33' ' ' PRO . 14.2 ptpt -140.62 173.97 4.42 Favored Pre-proline 0 C--N 1.314 -0.963 0 N-CA-C 107.757 -1.201 . . . . 113.95999999999999 107.757 174.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . 0.771 ' O ' ' O ' ' A' ' 302' ' ' HOH . 26.2 Cg_exo -60.36 122.87 12.01 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 118.215 -0.723 . . . . 85.0 111.489 -168.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.57 -18.21 44.12 Favored Glycine 0 C--O 1.212 -1.236 0 O-C-N 124.77 1.294 . . . . 75.939999999999998 115.867 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.34 148.78 24.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 115.115 1.524 . . . . 60.990000000000002 115.115 -174.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -110.71 117.32 33.15 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 106.057 -1.831 . . . . 54.479999999999997 106.057 165.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.04 131.9 45.71 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.296 -0.562 . . . . 94.75 109.515 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -115.62 130.87 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 116.019 -0.537 . . . . 59.960000000000001 110.825 -175.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -134.29 156.3 48.68 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 115.156 -0.929 . . . . 67.890000000000001 108.837 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . 0.514 ' HE3' ' OG ' ' A' ' 93' ' ' SER . 83.6 mttt -67.87 -40.97 83.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.022 1.119 . . . . 74.900000000000006 114.022 172.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 p -134.79 158.26 44.63 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 120.913 0.387 . . . . 70.810000000000002 111.368 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.0 pm0 -66.26 -34.49 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 105.15000000000001 108.411 173.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -106.77 119.13 38.49 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.82 -1.082 . . . . 132.61000000000001 110.514 -169.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.52 41.41 28.72 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.944 -1.102 . . . . 179.03999999999999 108.862 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . 0.872 ' O ' ' O ' ' A' ' 301' ' ' HOH . . . -66.85 140.82 38.92 Favored Glycine 0 C--O 1.221 -0.698 0 C-N-CA 120.317 -0.944 . . . . 124.75 112.971 -174.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -85.43 131.7 34.34 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 105.482 -2.044 . . . . 145.90000000000001 105.482 169.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -73.17 125.5 27.86 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 110.212 -0.292 . . . . 56.520000000000003 110.212 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -89.29 -55.2 6.56 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 N-CA-C 113.737 1.014 . . . . 46.390000000000001 113.737 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.56 167.26 38.91 Favored Glycine 0 C--O 1.21 -1.355 0 CA-C-N 116.543 -0.299 . . . . 39.32 112.819 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -124.11 122.72 38.61 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 112.801 0.667 . . . . 111.33 112.801 170.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -83.15 131.44 33.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 C-N-CA 120.505 -0.478 . . . . 43.909999999999997 110.897 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -91.98 108.88 20.25 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 108.482 -0.933 . . . . 67.140000000000001 108.482 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . 0.472 ' HB3' HD23 ' A' ' 124' ' ' LEU . 85.2 mt -65.28 -22.9 66.91 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 116.255 -0.43 . . . . 76.260000000000005 111.851 -174.006 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.95 -26.33 68.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.015 0.436 . . . . 146.81999999999999 110.453 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 11.27 37.79 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.059 0.763 . . . . 55.710000000000001 113.059 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.32 158.46 28.15 Favored 'General case' 0 C--O 1.206 -1.19 0 N-CA-C 115.604 1.705 . . . . 55.799999999999997 115.604 -173.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -124.75 159.23 31.38 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 104.004 -2.591 . . . . 105.45 104.004 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 tt -127.11 136.24 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 C-N-CA 119.793 -0.763 . . . . 84.700000000000003 112.679 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.5 tt -136.55 149.24 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 C-N-CA 120.635 -0.426 . . . . 87.409999999999997 111.896 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB2' ' HE1' ' A' ' 117' ' ' MET . 35.5 tt0 -69.96 143.09 52.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.248 -0.433 . . . . 118.86 110.596 173.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 69' ' ' CYS . 9.1 ttp85 -132.84 78.05 67.12 Favored Pre-proline 0 C--O 1.216 -0.67 0 N-CA-C 112.529 0.566 . . . . 148.94999999999999 112.529 -179.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -64.47 136.05 48.77 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 120.591 0.861 . . . . 120.51000000000001 111.707 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 66' ' ' ASP . 1.3 t -156.03 167.19 31.2 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 115.914 1.82 . . . . 151.09 115.914 -170.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.366 -1.743 . . . . 170.53 114.045 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -99.1 101.65 13.08 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 101.818 -3.401 . . . . 175.91 101.818 168.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.9 t70 -109.64 -53.03 2.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 119.44 3.126 . . . . 147.75 119.44 -170.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 55.74 -119.72 15.35 Favored Glycine 0 C--O 1.222 -0.596 1 N-CA-C 96.858 -6.497 . . . . 195.34999999999999 96.858 -166.194 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB2' ' HA ' ' A' ' 110' ' ' GLU . 54.7 t80 -125.3 133.49 52.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.243 0.521 . . . . 152.91 110.203 159.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 1.2 t -119.87 130.32 54.8 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 116.406 2.002 . . . . 146.56999999999999 116.406 -171.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -140.95 166.61 24.32 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 113.996 1.11 . . . . 93.349999999999994 113.996 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -124.82 131.82 53.4 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.68 -0.691 . . . . 161.13999999999999 112.752 -173.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 tp -109.83 124.52 51.46 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 108.676 -0.861 . . . . 141.59 108.676 176.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.45 157.09 43.25 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 116.181 1.919 . . . . 65.609999999999999 116.181 -173.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' HA ' ' HD2' ' A' ' 75' ' ' PRO . 39.2 t-80 -87.61 126.59 61.35 Favored Pre-proline 0 CA--C 1.492 -1.257 0 N-CA-C 108.535 -0.913 . . . . 37.43 108.535 175.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 74' ' ' HIS . 24.7 Cg_endo -63.56 -26.23 69.68 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.126 1.884 . . . . 70.370000000000005 113.531 -174.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.3 mt -102.19 15.07 30.22 Favored 'General case' 0 C--O 1.204 -1.304 0 N-CA-C 112.764 0.654 . . . . 42.43 112.764 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 57.36 36.55 27.32 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-O 121.621 0.724 . . . . 117.75 111.007 175.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -101.67 -174.64 2.64 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.98 -1.009 . . . . 54.68 111.031 172.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 t -71.58 135.65 47.09 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 114.13 1.159 . . . . 39.82 114.13 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 pt -102.11 10.08 8.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 123.584 0.552 . . . . 37.350000000000001 112.039 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -111.65 134.94 52.88 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 114.243 1.201 . . . . 39.869999999999997 114.243 -166.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.85 142.71 56.05 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.955 -0.566 . . . . 47.340000000000003 110.047 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.97 -35.6 69.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 113.032 0.752 . . . . 151.65000000000001 113.032 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -126.92 153.62 45.56 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.648 0.737 . . . . 153.27000000000001 112.376 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.11 165.13 54.8 Favored Glycine 0 C--O 1.21 -1.382 0 CA-C-N 114.496 -1.229 . . . . 115.67 111.542 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.1 -20.94 72.42 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 122.918 2.412 . . . . 75.950000000000003 109.775 -174.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -114.87 24.57 11.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.759 0.314 . . . . 156.74000000000001 111.228 174.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.95 13.6 74.39 Favored Glycine 0 C--O 1.218 -0.879 0 C-N-CA 120.221 -0.99 . . . . 94.939999999999998 113.798 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.56 127.45 31.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.898 -0.778 . . . . 130.94999999999999 108.898 -173.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.2 89.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.371 1.248 . . . . 118.09999999999999 114.371 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 p -139.29 145.22 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 119.703 -0.799 . . . . 146.5 111.749 -174.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.6 158.68 43.52 Favored Glycine 0 C--O 1.209 -1.441 0 CA-C-N 115.713 -0.676 . . . . 91.340000000000003 114.759 -176.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . 0.514 ' OG ' ' HE3' ' A' ' 40' ' ' LYS . 48.3 t -69.73 145.18 52.47 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.149 -0.526 . . . . 118.70999999999999 111.093 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.0 mm -70.17 130.52 34.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 N-CA-C 112.397 0.517 . . . . 145.19 112.397 -171.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 p -139.97 -179.2 5.82 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 107.639 -1.245 . . . . 51.689999999999998 107.639 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -62.92 146.33 95.47 Favored Pre-proline 0 N--CA 1.417 -2.088 0 N-CA-C 103.783 -2.673 . . . . 135.66999999999999 103.783 171.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -63.49 127.91 21.09 Favored 'Trans proline' 0 C--O 1.197 -1.56 0 O-C-N 122.623 0.801 . . . . 60.289999999999999 110.705 -169.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.3 mt -104.54 150.08 38.13 Favored Pre-proline 0 C--O 1.205 -1.251 0 O-C-N 123.322 0.389 . . . . 47.590000000000003 111.369 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -68.26 150.28 76.4 Favored 'Trans proline' 0 C--O 1.207 -1.045 0 C-N-CA 121.216 1.277 . . . . 33.229999999999997 113.447 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . 1.114 ' OG ' ' CAB' ' A' ' 201' ' ' NDB . 20.5 m -63.06 -43.3 99.0 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 113.252 0.834 . . . . 49.869999999999997 113.252 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -114.37 4.56 15.4 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 117.404 2.372 . . . . 45.710000000000001 117.404 -166.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -156.11 159.96 39.51 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 114.027 1.121 . . . . 59.75 114.027 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 mt -129.69 135.69 48.8 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 124.07 0.948 . . . . 90.739999999999995 110.027 167.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 18' ' ' ARG . 70.0 mt -101.71 127.33 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 107.582 -1.266 . . . . 82.260000000000005 107.582 170.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.8 mt -128.14 130.35 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 113.973 1.101 . . . . 70.650000000000006 113.973 -170.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.23 134.2 47.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 119.37 -0.932 . . . . 104.98 111.509 169.907 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.63 153.09 25.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.469 -0.787 . . . . 118.26000000000001 109.894 171.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -63.06 -33.85 76.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.209 0.528 . . . . 124.34 112.142 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 112' ' ' ASP . 52.7 p -117.37 142.07 47.55 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.101 -0.703 . . . . 117.8 109.101 177.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 13.5 tt0 -61.32 -40.65 94.98 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.82 -0.352 . . . . 190.66999999999999 110.163 -175.491 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.9 p -63.5 -40.37 96.89 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.412 -0.915 . . . . 118.40000000000001 109.346 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . 0.468 ' HB2' ' OG ' ' A' ' 109' ' ' SER . 34.8 m-20 -62.43 -40.0 95.16 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.022 -0.733 . . . . 111.23999999999999 109.022 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' A' ' 68' ' ' PHE . . . -62.34 -41.42 99.75 Favored Glycine 0 C--O 1.219 -0.783 0 C-N-CA 120.39 -0.91 . . . . 76.769999999999996 111.224 -176.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -64.61 -39.95 94.63 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 113.251 0.834 . . . . 148.66 113.251 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.0 m -63.47 -39.92 95.74 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.103 -0.639 . . . . 128.68000000000001 110.82 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -62.99 -46.42 87.78 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 119.981 -0.687 . . . . 91.090000000000003 111.65 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' MET . . . . . 0.418 ' HE1' ' HB2' ' A' ' 60' ' ' GLU . 0.7 OUTLIER -63.42 -44.45 94.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 112.371 0.508 . . . . 156.38999999999999 112.371 -178.462 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -63.62 -42.64 98.16 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.116 0.484 . . . . 121.23 109.956 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.58 91.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.065 0.46 . . . . 93.390000000000001 110.758 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 16.9 mt -63.09 -36.37 83.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.676 -0.693 . . . . 98.519999999999996 111.085 -176.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.93 -39.9 91.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.7 -0.4 . . . . 129.74000000000001 110.055 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.8 mp -67.62 -48.37 66.97 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 121.232 0.539 . . . . 137.13999999999999 112.431 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.75 34.06 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.115 -0.493 . . . . 128.99000000000001 111.558 -173.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 38.0 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 152.58000000000001 111.871 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' NDB . . . . . 1.114 ' CAB' ' OG ' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.872 ' O ' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.771 ' O ' ' O ' ' A' ' 33' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . 0.64 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 304' ' ' HOH . . . . . . . . 0 C--O 1.215 -1.036 0 CA-C-O 120.97 0.205 . . . . 102.12 113.321 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.05 135.9 27.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 N-CA-C 113.072 0.767 . . . . 107.84 113.072 -174.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 -48.06 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-O 121.008 0.432 . . . . 88.680000000000007 111.98 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtp -141.75 141.58 33.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.549 -0.908 . . . . 117.91 108.549 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.54 128.22 21.64 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 112.063 0.394 . . . . 73.340000000000003 112.063 169.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -163.35 164.07 24.9 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 111.877 0.325 . . . . 100.29000000000001 111.877 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -68.38 134.4 50.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 108.357 -0.979 . . . . 53.0 108.357 168.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.5 mt -131.74 152.04 51.21 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-O 121.288 0.566 . . . . 49.590000000000003 110.449 172.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -99.28 123.93 43.96 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.184 -0.606 . . . . 103.63 110.456 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . 0.537 HG23 HD22 ' A' ' 103' ' ' LEU . 90.9 mt -122.83 134.79 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.327 -0.851 . . . . 72.280000000000001 112.305 -169.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HG3' ' HB ' ' A' ' 104' ' ' ILE . 11.8 ptm180 -132.36 158.6 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.741 0.781 . . . . 106.51000000000001 112.631 175.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.26 -137.67 6.35 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.236 -1.347 . . . . 63.710000000000001 110.165 174.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m -62.81 -41.68 99.4 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.725 0.774 . . . . 43.43 109.361 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -72.79 148.82 44.19 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.231 -0.895 . . . . 42.530000000000001 111.057 -176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -64.85 -17.01 63.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.654 -0.703 . . . . 134.44 112.305 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.8 t -67.63 143.26 56.11 Favored 'General case' 0 C--O 1.203 -1.347 0 N-CA-C 114.423 1.268 . . . . 119.91 114.423 -176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -113.22 135.34 53.94 Favored 'General case' 0 CA--C 1.489 -1.398 0 C-N-CA 123.298 0.639 . . . . 57.549999999999997 110.439 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.5 m -119.65 134.54 55.19 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 111.91 0.337 . . . . 91.590000000000003 111.91 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -93.92 118.95 32.18 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.471 -0.936 . . . . 109.04000000000001 108.471 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -134.93 160.54 37.93 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.929 -0.578 . . . . 56.659999999999997 111.59 -172.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . 0.411 ' CD1' ' HA ' ' A' ' 42' ' ' GLN . 76.6 t-105 -97.59 115.87 28.71 Favored 'General case' 0 CA--C 1.488 -1.427 0 N-CA-C 109.33 -0.619 . . . . 73.349999999999994 109.33 -175.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -115.63 131.6 56.89 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 112.615 0.598 . . . . 84.920000000000002 112.615 -172.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -113.95 123.82 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 109.75 -0.463 . . . . 52.770000000000003 109.75 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -100.8 121.49 41.78 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 120.457 -0.497 . . . . 67.819999999999993 110.703 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -140.62 173.97 4.42 Favored Pre-proline 0 C--N 1.314 -0.963 0 N-CA-C 107.757 -1.201 . . . . 94.969999999999999 107.757 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . 0.771 ' O ' ' O ' ' A' ' 302' ' ' HOH . 26.2 Cg_exo -60.36 122.87 12.01 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 118.215 -0.723 . . . . 70.829999999999998 111.489 -168.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.57 -18.21 44.12 Favored Glycine 0 C--O 1.212 -1.236 0 O-C-N 124.77 1.294 . . . . 63.289999999999999 115.867 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.34 148.78 24.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 115.115 1.524 . . . . 58.829999999999998 115.115 -174.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -110.71 117.32 33.15 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 106.057 -1.831 . . . . 50.789999999999999 106.057 165.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.04 131.9 45.71 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.296 -0.562 . . . . 78.959999999999994 109.515 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -115.62 130.87 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 116.019 -0.537 . . . . 49.969999999999999 110.825 -175.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -134.29 156.3 48.68 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 115.156 -0.929 . . . . 56.57 108.837 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HE3' ' OG ' ' A' ' 93' ' ' SER . 83.6 mttt -67.87 -40.97 83.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.022 1.119 . . . . 72.930000000000007 114.022 172.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 p -134.79 158.26 44.63 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 120.913 0.387 . . . . 62.039999999999999 111.368 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.0 pm0 -66.26 -34.49 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 103.05 108.411 173.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -106.77 119.13 38.49 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.82 -1.082 . . . . 117.95 110.514 -169.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.52 41.41 28.72 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.944 -1.102 . . . . 149.19999999999999 108.862 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . 0.872 ' O ' ' O ' ' A' ' 301' ' ' HOH . . . -66.85 140.82 38.92 Favored Glycine 0 C--O 1.221 -0.698 0 C-N-CA 120.317 -0.944 . . . . 103.95999999999999 112.971 -174.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -85.43 131.7 34.34 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 105.482 -2.044 . . . . 121.58 105.482 169.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -73.17 125.5 27.86 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 110.212 -0.292 . . . . 54.32 110.212 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -89.29 -55.2 6.56 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 N-CA-C 113.737 1.014 . . . . 38.659999999999997 113.737 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.56 167.26 38.91 Favored Glycine 0 C--O 1.21 -1.355 0 CA-C-N 116.543 -0.299 . . . . 39.32 112.819 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -124.11 122.72 38.61 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 112.801 0.667 . . . . 92.769999999999996 112.801 170.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -83.15 131.44 33.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 C-N-CA 120.505 -0.478 . . . . 36.960000000000001 110.897 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -91.98 108.88 20.25 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 108.482 -0.933 . . . . 55.950000000000003 108.482 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.638 ' HB3' HD23 ' A' ' 124' ' ' LEU . 85.2 mt -65.28 -22.9 66.91 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 116.255 -0.43 . . . . 63.549999999999997 111.851 -174.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.95 -26.33 68.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.015 0.436 . . . . 139.34999999999999 110.453 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 11.27 37.79 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.059 0.763 . . . . 46.420000000000002 113.059 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.32 158.46 28.15 Favored 'General case' 0 C--O 1.206 -1.19 0 N-CA-C 115.604 1.705 . . . . 46.5 115.604 -173.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -124.75 159.23 31.38 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 104.004 -2.591 . . . . 87.879999999999995 104.004 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 tt -127.11 136.24 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 C-N-CA 119.793 -0.763 . . . . 70.579999999999998 112.679 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.5 tt -136.55 149.24 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 C-N-CA 120.635 -0.426 . . . . 72.840000000000003 111.896 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.96 143.09 52.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.248 -0.433 . . . . 109.59999999999999 110.596 173.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' O ' ' HB3' ' A' ' 69' ' ' CYS . 9.1 ttp85 -132.84 78.05 67.12 Favored Pre-proline 0 C--O 1.216 -0.67 0 N-CA-C 112.529 0.566 . . . . 127.92 112.529 -179.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -64.47 136.05 48.77 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 120.591 0.861 . . . . 100.67 111.707 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' ASP . 1.3 t -156.03 167.19 31.2 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 115.914 1.82 . . . . 139.71000000000001 115.914 -170.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.366 -1.743 . . . . 142.11000000000001 114.045 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -99.1 101.65 13.08 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 101.818 -3.401 . . . . 146.59 101.818 168.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.9 t70 -109.64 -53.03 2.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 119.44 3.126 . . . . 143.06999999999999 119.44 -170.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 55.74 -119.72 15.35 Favored Glycine 0 C--O 1.222 -0.596 1 N-CA-C 96.858 -6.497 . . . . 162.78999999999999 96.858 -166.194 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB3' ' HA3' ' A' ' 113' ' ' GLY . 54.7 t80 -125.3 133.49 52.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.243 0.521 . . . . 127.43000000000001 110.203 159.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' CYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 1.2 t -119.87 130.32 54.8 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 116.406 2.002 . . . . 122.14 116.406 -171.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -140.95 166.61 24.32 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 113.996 1.11 . . . . 77.790000000000006 113.996 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -124.82 131.82 53.4 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.68 -0.691 . . . . 134.28 112.752 -173.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 tp -109.83 124.52 51.46 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 108.676 -0.861 . . . . 117.98999999999999 108.676 176.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.45 157.09 43.25 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 116.181 1.919 . . . . 54.670000000000002 116.181 -173.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -87.61 126.59 61.35 Favored Pre-proline 0 CA--C 1.492 -1.257 0 N-CA-C 108.535 -0.913 . . . . 31.190000000000001 108.535 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.56 -26.23 69.68 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.126 1.884 . . . . 58.640000000000001 113.531 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.3 mt -102.19 15.07 30.22 Favored 'General case' 0 C--O 1.204 -1.304 0 N-CA-C 112.764 0.654 . . . . 35.359999999999999 112.764 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 57.36 36.55 27.32 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-O 121.621 0.724 . . . . 117.75 111.007 175.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -101.67 -174.64 2.64 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.98 -1.009 . . . . 51.539999999999999 111.031 172.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 t -71.58 135.65 47.09 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 114.13 1.159 . . . . 35.390000000000001 114.13 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 pt -102.11 10.08 8.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 123.584 0.552 . . . . 37.350000000000001 112.039 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -111.65 134.94 52.88 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 114.243 1.201 . . . . 36.780000000000001 114.243 -166.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.85 142.71 56.05 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.955 -0.566 . . . . 42.07 110.047 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.97 -35.6 69.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 113.032 0.752 . . . . 126.38 113.032 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -126.92 153.62 45.56 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.648 0.737 . . . . 127.72 112.376 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.11 165.13 54.8 Favored Glycine 0 C--O 1.21 -1.382 0 CA-C-N 114.496 -1.229 . . . . 115.67 111.542 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.1 -20.94 72.42 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 122.918 2.412 . . . . 69.170000000000002 109.775 -174.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -114.87 24.57 11.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.759 0.314 . . . . 130.62 111.228 174.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.95 13.6 74.39 Favored Glycine 0 C--O 1.218 -0.879 0 C-N-CA 120.221 -0.99 . . . . 94.939999999999998 113.798 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.56 127.45 31.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.898 -0.778 . . . . 117.81 108.898 -173.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.2 89.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.371 1.248 . . . . 98.420000000000002 114.371 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 p -139.29 145.22 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 119.703 -0.799 . . . . 122.08 111.749 -174.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.6 158.68 43.52 Favored Glycine 0 C--O 1.209 -1.441 0 CA-C-N 115.713 -0.676 . . . . 76.120000000000005 114.759 -176.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . 0.491 ' OG ' ' HE3' ' A' ' 40' ' ' LYS . 48.3 t -69.73 145.18 52.47 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.149 -0.526 . . . . 98.920000000000002 111.093 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.0 mm -70.17 130.52 34.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 N-CA-C 112.397 0.517 . . . . 120.98999999999999 112.397 -171.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 p -139.97 -179.2 5.82 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 107.639 -1.245 . . . . 43.07 107.639 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -62.92 146.33 95.47 Favored Pre-proline 0 N--CA 1.417 -2.088 0 N-CA-C 103.783 -2.673 . . . . 135.66999999999999 103.783 171.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -63.49 127.91 21.09 Favored 'Trans proline' 0 C--O 1.197 -1.56 0 O-C-N 122.623 0.801 . . . . 50.240000000000002 110.705 -169.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.3 mt -104.54 150.08 38.13 Favored Pre-proline 0 C--O 1.205 -1.251 0 O-C-N 123.322 0.389 . . . . 39.659999999999997 111.369 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -68.26 150.28 76.4 Favored 'Trans proline' 0 C--O 1.207 -1.045 0 C-N-CA 121.216 1.277 . . . . 33.229999999999997 113.447 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . 1.114 ' OG ' ' CAB' ' A' ' 201' ' ' NDB . 20.5 m -63.06 -43.3 99.0 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 113.252 0.834 . . . . 41.560000000000002 113.252 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -114.37 4.56 15.4 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 117.404 2.372 . . . . 38.100000000000001 117.404 -166.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -156.11 159.96 39.51 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 114.027 1.121 . . . . 57.399999999999999 114.027 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . 0.537 HD22 HG23 ' A' ' 17' ' ' ILE . 10.0 mt -129.69 135.69 48.8 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 124.07 0.948 . . . . 75.620000000000005 110.027 167.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . 0.473 ' HB ' ' HG3' ' A' ' 18' ' ' ARG . 70.0 mt -101.71 127.33 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 107.582 -1.266 . . . . 68.549999999999997 107.582 170.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.8 mt -128.14 130.35 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 113.973 1.101 . . . . 58.869999999999997 113.973 -170.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.23 134.2 47.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 119.37 -0.932 . . . . 87.480000000000004 111.509 169.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.63 153.09 25.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.469 -0.787 . . . . 118.26000000000001 109.894 171.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -63.06 -33.85 76.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.209 0.528 . . . . 103.61 112.142 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . 0.485 ' OG ' ' HB2' ' A' ' 112' ' ' ASP . 52.7 p -117.37 142.07 47.55 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.101 -0.703 . . . . 98.159999999999997 109.101 177.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 13.5 tt0 -61.32 -40.65 94.98 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.82 -0.352 . . . . 158.88999999999999 110.163 -175.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.9 p -63.5 -40.37 96.89 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.412 -0.915 . . . . 108.75 109.346 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . 0.485 ' HB2' ' OG ' ' A' ' 109' ' ' SER . 34.8 m-20 -62.43 -40.0 95.16 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.022 -0.733 . . . . 111.23999999999999 109.022 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . 0.472 ' HA3' ' HB3' ' A' ' 68' ' ' PHE . . . -62.34 -41.42 99.75 Favored Glycine 0 C--O 1.219 -0.783 0 C-N-CA 120.39 -0.91 . . . . 70.629999999999995 111.224 -176.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -64.61 -39.95 94.63 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 113.251 0.834 . . . . 123.88 113.251 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.0 m -63.47 -39.92 95.74 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.103 -0.639 . . . . 107.23 110.82 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -62.99 -46.42 87.78 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 119.981 -0.687 . . . . 75.909999999999997 111.65 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -44.45 94.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 112.371 0.508 . . . . 130.33000000000001 112.371 -178.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -63.62 -42.64 98.16 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.116 0.484 . . . . 103.17 109.956 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.58 91.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.065 0.46 . . . . 77.819999999999993 110.758 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 16.9 mt -63.09 -36.37 83.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.676 -0.693 . . . . 82.099999999999994 111.085 -176.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.93 -39.9 91.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.7 -0.4 . . . . 129.74000000000001 110.055 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.8 mp -67.62 -48.37 66.97 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 121.232 0.539 . . . . 137.13999999999999 112.431 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.75 34.06 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.115 -0.493 . . . . 107.48999999999999 111.558 -173.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 38.0 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 152.58000000000001 111.871 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' NDB . . . . . 1.114 ' CAB' ' OG ' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.872 ' O ' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.771 ' O ' ' O ' ' A' ' 33' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . 0.64 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 304' ' ' HOH . . . . . . . . 0 C--O 1.215 -1.036 0 CA-C-O 120.97 0.205 . . . . 102.12 113.321 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.7 mt -69.05 135.9 27.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 N-CA-C 113.072 0.767 . . . . 107.84 113.072 -174.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.7 t -100.17 -48.06 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-O 121.008 0.432 . . . . 88.680000000000007 111.98 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtp -141.75 141.58 33.24 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 108.549 -0.908 . . . . 117.91 108.549 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.54 128.22 21.64 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 112.063 0.394 . . . . 73.340000000000003 112.063 169.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -163.35 164.07 24.9 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 111.877 0.325 . . . . 100.29000000000001 111.877 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -68.38 134.4 50.18 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 108.357 -0.979 . . . . 53.0 108.357 168.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.5 mt -131.74 152.04 51.21 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-O 121.288 0.566 . . . . 49.590000000000003 110.449 172.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -99.28 123.93 43.96 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.184 -0.606 . . . . 103.63 110.456 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.537 HG23 HD22 ' A' ' 103' ' ' LEU . 90.9 mt -122.83 134.79 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.327 -0.851 . . . . 72.280000000000001 112.305 -169.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HG3' ' HB ' ' A' ' 104' ' ' ILE . 11.8 ptm180 -132.36 158.6 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.741 0.781 . . . . 106.51000000000001 112.631 175.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.26 -137.67 6.35 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.236 -1.347 . . . . 63.710000000000001 110.165 174.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m -62.81 -41.68 99.4 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.725 0.774 . . . . 43.43 109.361 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -72.79 148.82 44.19 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-N 115.231 -0.895 . . . . 42.530000000000001 111.057 -176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -64.85 -17.01 63.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.654 -0.703 . . . . 134.44 112.305 -178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.8 t -67.63 143.26 56.11 Favored 'General case' 0 C--O 1.203 -1.347 0 N-CA-C 114.423 1.268 . . . . 119.91 114.423 -176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -113.22 135.34 53.94 Favored 'General case' 0 CA--C 1.489 -1.398 0 C-N-CA 123.298 0.639 . . . . 57.549999999999997 110.439 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.5 m -119.65 134.54 55.19 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 111.91 0.337 . . . . 91.590000000000003 111.91 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -93.92 118.95 32.18 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 108.471 -0.936 . . . . 109.04000000000001 108.471 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -134.93 160.54 37.93 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.929 -0.578 . . . . 56.659999999999997 111.59 -172.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.411 ' CD1' ' HA ' ' A' ' 42' ' ' GLN . 76.6 t-105 -97.59 115.87 28.71 Favored 'General case' 0 CA--C 1.488 -1.427 0 N-CA-C 109.33 -0.619 . . . . 73.349999999999994 109.33 -175.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -115.63 131.6 56.89 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 112.615 0.598 . . . . 84.920000000000002 112.615 -172.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -113.95 123.82 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 N-CA-C 109.75 -0.463 . . . . 52.770000000000003 109.75 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -100.8 121.49 41.78 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 120.457 -0.497 . . . . 67.819999999999993 110.703 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -140.62 173.97 4.42 Favored Pre-proline 0 C--N 1.314 -0.963 0 N-CA-C 107.757 -1.201 . . . . 94.969999999999999 107.757 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.771 ' O ' ' O ' ' A' ' 302' ' ' HOH . 26.2 Cg_exo -60.36 122.87 12.01 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 118.215 -0.723 . . . . 70.829999999999998 111.489 -168.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.57 -18.21 44.12 Favored Glycine 0 C--O 1.212 -1.236 0 O-C-N 124.77 1.294 . . . . 63.289999999999999 115.867 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.34 148.78 24.53 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 115.115 1.524 . . . . 58.829999999999998 115.115 -174.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -110.71 117.32 33.15 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 106.057 -1.831 . . . . 50.789999999999999 106.057 165.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.04 131.9 45.71 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 120.296 -0.562 . . . . 78.959999999999994 109.515 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -115.62 130.87 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 116.019 -0.537 . . . . 49.969999999999999 110.825 -175.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -134.29 156.3 48.68 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 115.156 -0.929 . . . . 56.57 108.837 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HE3' ' OG ' ' A' ' 93' ' ' SER . 83.6 mttt -67.87 -40.97 83.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 114.022 1.119 . . . . 72.930000000000007 114.022 172.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 p -134.79 158.26 44.63 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 120.913 0.387 . . . . 62.039999999999999 111.368 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.0 pm0 -66.26 -34.49 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 103.05 108.411 173.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -106.77 119.13 38.49 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.82 -1.082 . . . . 117.95 110.514 -169.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.52 41.41 28.72 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.944 -1.102 . . . . 149.19999999999999 108.862 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.872 ' O ' ' O ' ' A' ' 301' ' ' HOH . . . -66.85 140.82 38.92 Favored Glycine 0 C--O 1.221 -0.698 0 C-N-CA 120.317 -0.944 . . . . 103.95999999999999 112.971 -174.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -85.43 131.7 34.34 Favored 'General case' 0 N--CA 1.436 -1.173 0 N-CA-C 105.482 -2.044 . . . . 121.58 105.482 169.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -73.17 125.5 27.86 Favored 'General case' 0 CA--C 1.497 -1.07 0 N-CA-C 110.212 -0.292 . . . . 54.32 110.212 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.2 t -89.29 -55.2 6.56 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 N-CA-C 113.737 1.014 . . . . 38.659999999999997 113.737 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.56 167.26 38.91 Favored Glycine 0 C--O 1.21 -1.355 0 CA-C-N 116.543 -0.299 . . . . 39.32 112.819 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -124.11 122.72 38.61 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 112.801 0.667 . . . . 92.769999999999996 112.801 170.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -83.15 131.44 33.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 C-N-CA 120.505 -0.478 . . . . 36.960000000000001 110.897 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -91.98 108.88 20.25 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 108.482 -0.933 . . . . 55.950000000000003 108.482 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.638 ' HB3' HD23 ' A' ' 124' ' ' LEU . 85.2 mt -65.28 -22.9 66.91 Favored 'General case' 0 C--O 1.209 -1.059 0 CA-C-N 116.255 -0.43 . . . . 63.549999999999997 111.851 -174.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -61.95 -26.33 68.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.015 0.436 . . . . 139.34999999999999 110.453 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 11.27 37.79 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.059 0.763 . . . . 46.420000000000002 113.059 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.32 158.46 28.15 Favored 'General case' 0 C--O 1.206 -1.19 0 N-CA-C 115.604 1.705 . . . . 46.5 115.604 -173.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -124.75 159.23 31.38 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 104.004 -2.591 . . . . 87.879999999999995 104.004 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 tt -127.11 136.24 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 C-N-CA 119.793 -0.763 . . . . 70.579999999999998 112.679 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.5 tt -136.55 149.24 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 C-N-CA 120.635 -0.426 . . . . 72.840000000000003 111.896 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.96 143.09 52.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.248 -0.433 . . . . 109.59999999999999 110.596 173.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' O ' ' HB3' ' A' ' 69' ' ' CYS . 9.1 ttp85 -132.84 78.05 67.12 Favored Pre-proline 0 C--O 1.216 -0.67 0 N-CA-C 112.529 0.566 . . . . 127.92 112.529 -179.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -64.47 136.05 48.77 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 120.591 0.861 . . . . 100.67 111.707 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' ASP . 1.3 t -156.03 167.19 31.2 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 115.914 1.82 . . . . 139.71000000000001 115.914 -170.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.366 -1.743 . . . . 142.11000000000001 114.045 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -99.1 101.65 13.08 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 101.818 -3.401 . . . . 146.59 101.818 168.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.9 t70 -109.64 -53.03 2.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 119.44 3.126 . . . . 143.06999999999999 119.44 -170.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 55.74 -119.72 15.35 Favored Glycine 0 C--O 1.222 -0.596 1 N-CA-C 96.858 -6.497 . . . . 162.78999999999999 96.858 -166.194 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB3' ' HA3' ' A' ' 113' ' ' GLY . 54.7 t80 -125.3 133.49 52.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.243 0.521 . . . . 127.43000000000001 110.203 159.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 1.2 t -119.87 130.32 54.8 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 116.406 2.002 . . . . 122.14 116.406 -171.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -140.95 166.61 24.32 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 113.996 1.11 . . . . 77.790000000000006 113.996 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -124.82 131.82 53.4 Favored 'General case' 0 C--O 1.205 -1.262 0 CA-C-N 115.68 -0.691 . . . . 134.28 112.752 -173.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 tp -109.83 124.52 51.46 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 108.676 -0.861 . . . . 117.98999999999999 108.676 176.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.45 157.09 43.25 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 116.181 1.919 . . . . 54.670000000000002 116.181 -173.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -87.61 126.59 61.35 Favored Pre-proline 0 CA--C 1.492 -1.257 0 N-CA-C 108.535 -0.913 . . . . 31.190000000000001 108.535 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.56 -26.23 69.68 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.126 1.884 . . . . 58.640000000000001 113.531 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.3 mt -102.19 15.07 30.22 Favored 'General case' 0 C--O 1.204 -1.304 0 N-CA-C 112.764 0.654 . . . . 35.359999999999999 112.764 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 57.36 36.55 27.32 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-O 121.621 0.724 . . . . 117.75 111.007 175.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -101.67 -174.64 2.64 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.98 -1.009 . . . . 51.539999999999999 111.031 172.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 t -71.58 135.65 47.09 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 114.13 1.159 . . . . 35.390000000000001 114.13 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 pt -102.11 10.08 8.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.271 0 O-C-N 123.584 0.552 . . . . 37.350000000000001 112.039 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -111.65 134.94 52.88 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 114.243 1.201 . . . . 36.780000000000001 114.243 -166.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.85 142.71 56.05 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.955 -0.566 . . . . 42.07 110.047 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.97 -35.6 69.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 113.032 0.752 . . . . 126.38 113.032 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -126.92 153.62 45.56 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.648 0.737 . . . . 127.72 112.376 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.11 165.13 54.8 Favored Glycine 0 C--O 1.21 -1.382 0 CA-C-N 114.496 -1.229 . . . . 115.67 111.542 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.1 -20.94 72.42 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 122.918 2.412 . . . . 69.170000000000002 109.775 -174.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -114.87 24.57 11.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 120.759 0.314 . . . . 130.62 111.228 174.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.95 13.6 74.39 Favored Glycine 0 C--O 1.218 -0.879 0 C-N-CA 120.221 -0.99 . . . . 94.939999999999998 113.798 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.56 127.45 31.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.898 -0.778 . . . . 117.81 108.898 -173.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.2 89.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.371 1.248 . . . . 98.420000000000002 114.371 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 p -139.29 145.22 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 119.703 -0.799 . . . . 122.08 111.749 -174.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.6 158.68 43.52 Favored Glycine 0 C--O 1.209 -1.441 0 CA-C-N 115.713 -0.676 . . . . 76.120000000000005 114.759 -176.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . 0.491 ' OG ' ' HE3' ' A' ' 40' ' ' LYS . 48.3 t -69.73 145.18 52.47 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.149 -0.526 . . . . 98.920000000000002 111.093 177.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.0 mm -70.17 130.52 34.57 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 N-CA-C 112.397 0.517 . . . . 120.98999999999999 112.397 -171.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 p -139.97 -179.2 5.82 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 107.639 -1.245 . . . . 43.07 107.639 175.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -62.92 146.33 95.47 Favored Pre-proline 0 N--CA 1.417 -2.088 0 N-CA-C 103.783 -2.673 . . . . 135.66999999999999 103.783 171.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -63.49 127.91 21.09 Favored 'Trans proline' 0 C--O 1.197 -1.56 0 O-C-N 122.623 0.801 . . . . 50.240000000000002 110.705 -169.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.3 mt -104.54 150.08 38.13 Favored Pre-proline 0 C--O 1.205 -1.251 0 O-C-N 123.322 0.389 . . . . 39.659999999999997 111.369 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -68.26 150.28 76.4 Favored 'Trans proline' 0 C--O 1.207 -1.045 0 C-N-CA 121.216 1.277 . . . . 33.229999999999997 113.447 -176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . 1.114 ' OG ' ' CAB' ' A' ' 201' ' ' NDB . 20.5 m -63.06 -43.3 99.0 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 113.252 0.834 . . . . 41.560000000000002 113.252 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p -114.37 4.56 15.4 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 117.404 2.372 . . . . 38.100000000000001 117.404 -166.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -156.11 159.96 39.51 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 114.027 1.121 . . . . 57.399999999999999 114.027 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.537 HD22 HG23 ' A' ' 17' ' ' ILE . 10.0 mt -129.69 135.69 48.8 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 124.07 0.948 . . . . 75.620000000000005 110.027 167.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.473 ' HB ' ' HG3' ' A' ' 18' ' ' ARG . 70.0 mt -101.71 127.33 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 107.582 -1.266 . . . . 68.549999999999997 107.582 170.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.8 mt -128.14 130.35 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 113.973 1.101 . . . . 58.869999999999997 113.973 -170.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.23 134.2 47.08 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 119.37 -0.932 . . . . 87.480000000000004 111.509 169.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.63 153.09 25.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.469 -0.787 . . . . 118.26000000000001 109.894 171.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -63.06 -33.85 76.33 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.209 0.528 . . . . 103.61 112.142 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . 0.485 ' OG ' ' HB2' ' A' ' 112' ' ' ASP . 52.7 p -117.37 142.07 47.55 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.101 -0.703 . . . . 98.159999999999997 109.101 177.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 13.5 tt0 -61.32 -40.65 94.98 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.82 -0.352 . . . . 158.88999999999999 110.163 -175.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.9 p -63.5 -40.37 96.89 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.412 -0.915 . . . . 108.75 109.346 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.485 ' HB2' ' OG ' ' A' ' 109' ' ' SER . 34.8 m-20 -62.43 -40.0 95.16 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.022 -0.733 . . . . 111.23999999999999 109.022 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.472 ' HA3' ' HB3' ' A' ' 68' ' ' PHE . . . -62.34 -41.42 99.75 Favored Glycine 0 C--O 1.219 -0.783 0 C-N-CA 120.39 -0.91 . . . . 70.629999999999995 111.224 -176.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -64.61 -39.95 94.63 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 113.251 0.834 . . . . 123.88 113.251 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.0 m -63.47 -39.92 95.74 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.103 -0.639 . . . . 107.23 110.82 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -62.99 -46.42 87.78 Favored 'General case' 0 CA--C 1.493 -1.236 0 C-N-CA 119.981 -0.687 . . . . 75.909999999999997 111.65 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -44.45 94.57 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 112.371 0.508 . . . . 130.33000000000001 112.371 -178.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -63.62 -42.64 98.16 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.116 0.484 . . . . 103.17 109.956 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.58 91.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.065 0.46 . . . . 77.819999999999993 110.758 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 16.9 mt -63.09 -36.37 83.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.676 -0.693 . . . . 82.099999999999994 111.085 -176.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -60.93 -39.9 91.18 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.7 -0.4 . . . . 129.74000000000001 110.055 -175.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.8 mp -67.62 -48.37 66.97 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 121.232 0.539 . . . . 137.13999999999999 112.431 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.75 34.06 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.115 -0.493 . . . . 107.48999999999999 111.558 -173.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 120' ' ' LEU . 38.0 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 152.58000000000001 111.871 -177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' NDB . . . . . 1.114 ' CAB' ' OG ' ' A' ' 100' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.872 ' O ' ' O ' ' A' ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.771 ' O ' ' O ' ' A' ' 33' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.64 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_