0EO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C | doub | 1.22Å | 1.27Å | |
C | O2 | sing | 1.35Å | 1.47Å | |
O2 | CT | sing | 1.45Å | 1.46Å | |
CT | C1 | sing | 1.53Å | 1.54Å | |
CT | C2 | sing | 1.53Å | 1.53Å | |
CT | C3 | sing | 1.53Å | 1.53Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H33 | sing | 1.09Å | 1.10Å | |
C4 | O11 | doub | 1.21Å | 1.24Å | |
C4 | CA1 | sing | 1.51Å | 1.54Å | |
CA1 | CM | sing | 1.53Å | 1.55Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CA1 | HA2 | sing | 1.09Å | 1.10Å | |
CM | CH | sing | 1.53Å | 1.54Å | |
CM | HM | sing | 1.09Å | 1.10Å | |
CM | HM1 | sing | 1.09Å | 1.10Å | |
CH | OH | sing | 1.43Å | 1.41Å | |
CH | CA | sing | 1.53Å | 1.54Å | |
CH | HCH | sing | 1.09Å | 1.10Å | |
OH | HO1 | sing | 0.97Å | 0.95Å | |
CA | N | sing | 1.46Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 0.97Å | 1.00Å | |
CB | CG | sing | 1.51Å | 1.53Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | HZ | sing | 1.08Å | 1.08Å | |
N1 | CA2 | sing | 1.47Å | 1.48Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
CA2 | CB1 | sing | 1.53Å | 1.55Å | |
CA2 | CH1 | sing | 1.53Å | 1.54Å | |
CA2 | HA3 | sing | 1.09Å | 1.10Å | |
CB1 | CG1 | sing | 1.53Å | 1.54Å | |
CB1 | HB21 | sing | 1.09Å | 1.10Å | |
CB1 | HB31 | sing | 1.09Å | 1.10Å | |
CG1 | CD11 | sing | 1.53Å | 1.53Å | |
CG1 | CD21 | sing | 1.53Å | 1.42Å | |
CG1 | HG | sing | 1.09Å | 1.10Å | |
CD11 | CE11 | sing | 1.53Å | 1.53Å | |
CD11 | HD12 | sing | 1.09Å | 1.10Å | |
CD11 | HD13 | sing | 1.09Å | 1.10Å | |
CD21 | CE21 | sing | 1.53Å | 1.54Å | |
CD21 | HD23 | sing | 1.09Å | 1.10Å | |
CD21 | HD22 | sing | 1.09Å | 1.10Å | |
CE11 | CZ1 | sing | 1.53Å | 1.53Å | |
CE11 | HE12 | sing | 1.09Å | 1.10Å | |
CE11 | HE13 | sing | 1.09Å | 1.10Å | |
CE21 | CZ1 | sing | 1.53Å | 1.53Å | |
CE21 | HE23 | sing | 1.09Å | 1.10Å | |
CE21 | HE22 | sing | 1.09Å | 1.10Å | |
CZ1 | HZ2 | sing | 1.09Å | 1.10Å | |
CZ1 | HZ3 | sing | 1.09Å | 1.10Å | |
CH1 | OH1 | sing | 1.43Å | 1.42Å | |
CH1 | CM1 | sing | 1.53Å | 1.53Å | |
CH1 | HH | sing | 1.09Å | 1.10Å | |
OH1 | HO | sing | 0.97Å | 0.95Å | |
CM1 | C5 | sing | 1.51Å | 1.53Å | |
CM1 | HM11 | sing | 1.09Å | 1.10Å | |
CM1 | HM2 | sing | 1.09Å | 1.10Å | |
C5 | O | doub | 1.21Å | 1.24Å | |
N2 | CA3 | sing | 1.47Å | 1.46Å | |
N2 | H2 | sing | 0.97Å | 1.00Å | |
CA3 | C6 | sing | 1.51Å | 1.53Å | |
CA3 | CB2 | sing | 1.53Å | 1.52Å | |
CA3 | HA4 | sing | 1.09Å | 1.10Å | |
C6 | O3 | doub | 1.21Å | 1.23Å | |
C6 | OXT | sing | 1.34Å | 1.31Å | |
CB2 | CG2 | sing | 1.53Å | 1.54Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
CB2 | HB32 | sing | 1.09Å | 1.10Å | |
CG2 | CD12 | sing | 1.53Å | 1.44Å | |
CG2 | CD22 | sing | 1.53Å | 1.51Å | |
CG2 | HG1 | sing | 1.09Å | 1.10Å | |
CD12 | HD11 | sing | 1.09Å | 1.10Å | |
CD12 | HD14 | sing | 1.09Å | 1.10Å | |
CD12 | HD15 | sing | 1.09Å | 1.10Å | |
CD22 | HD21 | sing | 1.09Å | 1.10Å | |
CD22 | HD24 | sing | 1.09Å | 1.10Å | |
CD22 | HD25 | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
C | N | sing | 1.35Å | 1.36Å | |
C4 | N1 | sing | 1.35Å | 1.33Å | |
C5 | N2 | sing | 1.35Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C | O2 | 120.3° | 120.0° |
O1 | C | N | 125.8° | 119.9° |
C | O2 | CT | 123.5° | 117.0° |
O2 | C | N | 114.0° | 120.1° |
O2 | CT | C1 | 108.4° | 109.5° |
O2 | CT | C2 | 110.7° | 109.5° |
O2 | CT | C3 | 109.3° | 109.5° |
C1 | CT | C2 | 110.3° | 109.5° |
C1 | CT | C3 | 108.1° | 109.4° |
CT | C1 | H11 | 109.5° | 109.4° |
CT | C1 | H12 | 109.5° | 109.5° |
CT | C1 | H13 | 109.5° | 109.4° |
C2 | CT | C3 | 110.1° | 109.5° |
CT | C2 | H21 | 109.5° | 109.5° |
CT | C2 | H22 | 109.5° | 109.5° |
CT | C2 | H23 | 109.5° | 109.5° |
CT | C3 | H31 | 109.5° | 109.5° |
CT | C3 | H32 | 109.5° | 109.5° |
CT | C3 | H33 | 109.5° | 109.5° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.4° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.5° |
H21 | C2 | H22 | 109.4° | 109.5° |
H21 | C2 | H23 | 109.5° | 109.5° |
H22 | C2 | H23 | 109.5° | 109.5° |
H31 | C3 | H32 | 109.5° | 109.5° |
H31 | C3 | H33 | 109.4° | 109.5° |
H32 | C3 | H33 | 109.5° | 109.4° |
O11 | C4 | CA1 | 120.3° | 120.0° |
O11 | C4 | N1 | 124.3° | 120.0° |
C4 | CA1 | CM | 110.4° | 109.5° |
C4 | CA1 | HA1 | 109.2° | 109.5° |
C4 | CA1 | HA2 | 109.2° | 109.4° |
CA1 | C4 | N1 | 115.4° | 120.0° |
CM | CA1 | HA1 | 109.2° | 109.5° |
CM | CA1 | HA2 | 109.2° | 109.5° |
CA1 | CM | CH | 109.5° | 109.5° |
CA1 | CM | HM | 109.5° | 109.5° |
CA1 | CM | HM1 | 109.4° | 109.5° |
HA1 | CA1 | HA2 | 109.7° | 109.5° |
CH | CM | HM | 109.4° | 109.4° |
CH | CM | HM1 | 109.4° | 109.4° |
CM | CH | OH | 108.0° | 109.5° |
CM | CH | CA | 112.2° | 109.5° |
CM | CH | HCH | 108.8° | 109.5° |
HM | CM | HM1 | 109.5° | 109.5° |
OH | CH | CA | 109.9° | 109.5° |
OH | CH | HCH | 111.1° | 109.5° |
CH | OH | HO1 | 109.5° | 114.0° |
CA | CH | HCH | 106.8° | 109.5° |
CH | CA | N | 110.2° | 109.5° |
CH | CA | CB | 104.6° | 109.4° |
CH | CA | HA | 112.8° | 109.4° |
N | CA | CB | 111.5° | 109.5° |
N | CA | HA | 106.2° | 109.5° |
CA | N | H | 117.3° | 120.0° |
CA | N | C | 125.4° | 120.1° |
CB | CA | HA | 111.6° | 109.5° |
CA | CB | CG | 115.2° | 109.5° |
CA | CB | HB2 | 107.6° | 109.5° |
CA | CB | HB3 | 107.6° | 109.5° |
H | N | C | 117.3° | 120.0° |
CG | CB | HB2 | 107.6° | 109.5° |
CG | CB | HB3 | 107.6° | 109.5° |
CB | CG | CD1 | 120.3° | 120.0° |
CB | CG | CD2 | 119.7° | 120.0° |
HB2 | CB | HB3 | 111.3° | 109.5° |
CD1 | CG | CD2 | 120.0° | 120.0° |
CG | CD1 | CE1 | 119.9° | 120.0° |
CG | CD1 | HD1 | 120.0° | 120.0° |
CG | CD2 | CE2 | 120.0° | 120.0° |
CG | CD2 | HD2 | 120.0° | 120.0° |
CE1 | CD1 | HD1 | 120.1° | 120.0° |
CD1 | CE1 | CZ | 120.1° | 120.0° |
CD1 | CE1 | HE1 | 119.9° | 120.1° |
CE2 | CD2 | HD2 | 120.0° | 120.0° |
CD2 | CE2 | CZ | 119.9° | 120.0° |
CD2 | CE2 | HE2 | 120.0° | 119.9° |
CZ | CE1 | HE1 | 120.0° | 120.0° |
CE1 | CZ | CE2 | 120.1° | 120.0° |
CE1 | CZ | HZ | 120.0° | 120.0° |
CZ | CE2 | HE2 | 120.1° | 120.1° |
CE2 | CZ | HZ | 119.9° | 120.0° |
CA2 | N1 | H1 | 118.7° | 120.0° |
N1 | CA2 | CB1 | 109.6° | 109.4° |
N1 | CA2 | CH1 | 111.6° | 109.5° |
N1 | CA2 | HA3 | 107.4° | 109.5° |
CA2 | N1 | C4 | 122.6° | 120.0° |
H1 | N1 | C4 | 118.7° | 120.0° |
CB1 | CA2 | CH1 | 107.9° | 109.5° |
CB1 | CA2 | HA3 | 111.1° | 109.4° |
CA2 | CB1 | CG1 | 113.7° | 109.5° |
CA2 | CB1 | HB21 | 108.1° | 109.5° |
CA2 | CB1 | HB31 | 108.1° | 109.5° |
CH1 | CA2 | HA3 | 109.2° | 109.5° |
CA2 | CH1 | OH1 | 109.9° | 109.5° |
CA2 | CH1 | CM1 | 110.9° | 109.5° |
CA2 | CH1 | HH | 108.0° | 109.5° |
CG1 | CB1 | HB21 | 108.1° | 109.5° |
CG1 | CB1 | HB31 | 108.1° | 109.5° |
CB1 | CG1 | CD11 | 109.4° | 109.5° |
CB1 | CG1 | CD21 | 110.7° | 109.5° |
CB1 | CG1 | HG | 108.5° | 109.4° |
HB21 | CB1 | HB31 | 110.8° | 109.5° |
CD11 | CG1 | CD21 | 109.0° | 109.5° |
CD11 | CG1 | HG | 110.2° | 109.5° |
CG1 | CD11 | CE11 | 110.9° | 109.5° |
CG1 | CD11 | HD12 | 109.0° | 109.4° |
CG1 | CD11 | HD13 | 109.0° | 109.5° |
CD21 | CG1 | HG | 109.0° | 109.4° |
CG1 | CD21 | CE21 | 111.0° | 109.5° |
CG1 | CD21 | HD23 | 109.0° | 109.5° |
CG1 | CD21 | HD22 | 109.0° | 109.4° |
CE11 | CD11 | HD12 | 109.0° | 109.5° |
CE11 | CD11 | HD13 | 109.0° | 109.5° |
CD11 | CE11 | CZ1 | 110.0° | 109.4° |
CD11 | CE11 | HE12 | 109.3° | 109.5° |
CD11 | CE11 | HE13 | 109.3° | 109.4° |
HD12 | CD11 | HD13 | 109.9° | 109.4° |
CE21 | CD21 | HD23 | 109.0° | 109.5° |
CE21 | CD21 | HD22 | 109.0° | 109.4° |
CD21 | CE21 | CZ1 | 110.5° | 109.4° |
CD21 | CE21 | HE23 | 109.1° | 109.5° |
CD21 | CE21 | HE22 | 109.1° | 109.5° |
HD23 | CD21 | HD22 | 110.0° | 109.5° |
CZ1 | CE11 | HE12 | 109.3° | 109.5° |
CZ1 | CE11 | HE13 | 109.3° | 109.5° |
CE11 | CZ1 | CE21 | 109.5° | 109.5° |
CE11 | CZ1 | HZ2 | 109.5° | 109.5° |
CE11 | CZ1 | HZ3 | 109.5° | 109.4° |
HE12 | CE11 | HE13 | 109.7° | 109.6° |
CZ1 | CE21 | HE23 | 109.1° | 109.5° |
CZ1 | CE21 | HE22 | 109.1° | 109.5° |
CE21 | CZ1 | HZ2 | 109.5° | 109.5° |
CE21 | CZ1 | HZ3 | 109.5° | 109.4° |
HE23 | CE21 | HE22 | 109.8° | 109.5° |
HZ2 | CZ1 | HZ3 | 109.5° | 109.5° |
OH1 | CH1 | CM1 | 108.9° | 109.5° |
OH1 | CH1 | HH | 110.0° | 109.5° |
CH1 | OH1 | HO | 109.5° | 114.0° |
CM1 | CH1 | HH | 109.1° | 109.4° |
CH1 | CM1 | C5 | 110.0° | 109.5° |
CH1 | CM1 | HM11 | 109.3° | 109.5° |
CH1 | CM1 | HM2 | 109.3° | 109.5° |
C5 | CM1 | HM11 | 109.3° | 109.4° |
C5 | CM1 | HM2 | 109.3° | 109.5° |
CM1 | C5 | O | 120.5° | 120.0° |
CM1 | C5 | N2 | 116.2° | 120.0° |
HM11 | CM1 | HM2 | 109.6° | 109.5° |
O | C5 | N2 | 122.7° | 120.0° |
CA3 | N2 | H2 | 119.4° | 120.0° |
N2 | CA3 | C6 | 109.8° | 109.5° |
N2 | CA3 | CB2 | 109.4° | 109.5° |
N2 | CA3 | HA4 | 109.3° | 109.5° |
CA3 | N2 | C5 | 121.2° | 120.0° |
H2 | N2 | C5 | 119.4° | 120.0° |
C6 | CA3 | CB2 | 109.5° | 109.5° |
C6 | CA3 | HA4 | 109.2° | 109.5° |
CA3 | C6 | O3 | 120.9° | 120.0° |
CA3 | C6 | OXT | 121.7° | 120.0° |
CB2 | CA3 | HA4 | 109.6° | 109.5° |
CA3 | CB2 | CG2 | 111.1° | 109.5° |
CA3 | CB2 | HB22 | 108.9° | 109.4° |
CA3 | CB2 | HB32 | 108.9° | 109.5° |
O3 | C6 | OXT | 117.4° | 120.0° |
C6 | OXT | HXT | 109.5° | 117.0° |
CG2 | CB2 | HB22 | 108.9° | 109.4° |
CG2 | CB2 | HB32 | 108.9° | 109.5° |
CB2 | CG2 | CD12 | 114.0° | 109.5° |
CB2 | CG2 | CD22 | 116.9° | 109.5° |
CB2 | CG2 | HG1 | 101.6° | 109.5° |
HB22 | CB2 | HB32 | 110.0° | 109.5° |
CD12 | CG2 | CD22 | 113.4° | 109.5° |
CD12 | CG2 | HG1 | 106.3° | 109.5° |
CG2 | CD12 | HD11 | 109.5° | 109.5° |
CG2 | CD12 | HD14 | 109.4° | 109.5° |
CG2 | CD12 | HD15 | 109.5° | 109.5° |
CD22 | CG2 | HG1 | 102.4° | 109.5° |
CG2 | CD22 | HD21 | 109.5° | 109.5° |
CG2 | CD22 | HD24 | 109.5° | 109.5° |
CG2 | CD22 | HD25 | 109.5° | 109.4° |
HD11 | CD12 | HD14 | 109.5° | 109.4° |
HD11 | CD12 | HD15 | 109.4° | 109.4° |
HD14 | CD12 | HD15 | 109.5° | 109.5° |
HD21 | CD22 | HD24 | 109.5° | 109.5° |
HD21 | CD22 | HD25 | 109.4° | 109.5° |
HD24 | CD22 | HD25 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C | O2 | N | 180.0° | 179.8° |
O1 | C | O2 | CT | 14.4° | 0.0° |
O1 | C | N | CA | 1.9° | 5.0° |
O1 | C | N | H | 178.2° | 175.0° |
C | O2 | CT | C1 | 174.0° | 60.0° |
C | O2 | CT | C2 | 53.0° | 180.0° |
C | O2 | CT | C3 | 68.4° | 60.0° |
O2 | C | N | CA | 178.1° | 174.8° |
O2 | C | N | H | 1.9° | 5.2° |
O2 | CT | C1 | C2 | 121.3° | 120.0° |
O2 | CT | C1 | C3 | 118.3° | 120.0° |
O2 | CT | C2 | C3 | 120.9° | 120.0° |
O2 | CT | C1 | H11 | 180.0° | 60.0° |
O2 | CT | C1 | H12 | 60.0° | 180.0° |
O2 | CT | C1 | H13 | 60.0° | 60.0° |
O2 | CT | C2 | H21 | 180.0° | 60.0° |
O2 | CT | C2 | H22 | 60.0° | 180.0° |
O2 | CT | C2 | H23 | 60.0° | 60.0° |
O2 | CT | C3 | H31 | 180.0° | 60.0° |
O2 | CT | C3 | H32 | 60.0° | 180.0° |
O2 | CT | C3 | H33 | 60.0° | 60.0° |
CT | O2 | C | N | 165.6° | 179.7° |
C1 | CT | C2 | C3 | 119.2° | 120.0° |
CT | C1 | H11 | H12 | 120.0° | 120.0° |
CT | C1 | H11 | H13 | 120.0° | 120.0° |
CT | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | CT | C2 | H21 | 60.1° | 180.0° |
C1 | CT | C2 | H22 | 179.9° | 60.0° |
C1 | CT | C2 | H23 | 59.9° | 60.0° |
C1 | CT | C3 | H31 | 62.3° | 60.0° |
C1 | CT | C3 | H32 | 57.7° | 60.0° |
C1 | CT | C3 | H33 | 177.8° | 180.0° |
C2 | CT | C1 | H11 | 58.7° | 60.0° |
C2 | CT | C1 | H12 | 61.3° | 60.0° |
C2 | CT | C1 | H13 | 178.7° | 180.0° |
CT | C2 | H21 | H22 | 120.0° | 120.0° |
CT | C2 | H21 | H23 | 120.0° | 120.0° |
CT | C2 | H22 | H23 | 120.0° | 120.0° |
C2 | CT | C3 | H31 | 58.2° | 180.0° |
C2 | CT | C3 | H32 | 178.2° | 60.0° |
C2 | CT | C3 | H33 | 61.8° | 60.0° |
C3 | CT | C1 | H11 | 61.6° | 180.0° |
C3 | CT | C1 | H12 | 178.3° | 60.0° |
C3 | CT | C1 | H13 | 58.3° | 60.0° |
C3 | CT | C2 | H21 | 59.0° | 60.0° |
C3 | CT | C2 | H22 | 61.0° | 60.0° |
C3 | CT | C2 | H23 | 179.0° | 180.0° |
CT | C3 | H31 | H32 | 120.0° | 120.0° |
CT | C3 | H31 | H33 | 120.0° | 120.0° |
CT | C3 | H32 | H33 | 120.0° | 120.0° |
H11 | C1 | H12 | H13 | 120.0° | 120.1° |
H21 | C2 | H22 | H23 | 120.0° | 120.0° |
H31 | C3 | H32 | H33 | 120.0° | 120.0° |
O11 | C4 | CA1 | N1 | 179.5° | 180.0° |
O11 | C4 | CA1 | CM | 70.9° | 0.0° |
O11 | C4 | CA1 | HA1 | 49.1° | 120.0° |
O11 | C4 | CA1 | HA2 | 169.1° | 120.0° |
O11 | C4 | N1 | CA2 | 3.7° | 4.9° |
O11 | C4 | N1 | H1 | 176.3° | 175.0° |
C4 | CA1 | CM | HA1 | 120.0° | 120.0° |
C4 | CA1 | CM | HA2 | 120.0° | 120.0° |
C4 | CA1 | HA1 | HA2 | 119.6° | 120.0° |
C4 | CA1 | CM | CH | 126.3° | 180.0° |
C4 | CA1 | CM | HM | 6.4° | 60.0° |
C4 | CA1 | CM | HM1 | 113.7° | 60.0° |
CA1 | C4 | N1 | CA2 | 176.8° | 175.1° |
CA1 | C4 | N1 | H1 | 3.2° | 5.0° |
CM | CA1 | HA1 | HA2 | 119.6° | 120.0° |
CA1 | CM | CH | HM | 120.0° | 120.0° |
CA1 | CM | CH | HM1 | 120.0° | 120.0° |
CA1 | CM | HM | HM1 | 120.0° | 120.0° |
CA1 | CM | CH | OH | 56.3° | 65.0° |
CA1 | CM | CH | CA | 177.6° | 175.0° |
CA1 | CM | CH | HCH | 64.4° | 55.0° |
CM | CA1 | C4 | N1 | 109.6° | 180.0° |
HA1 | CA1 | CM | CH | 113.6° | 60.0° |
HA1 | CA1 | CM | HM | 126.4° | 180.0° |
HA1 | CA1 | CM | HM1 | 6.4° | 60.0° |
HA1 | CA1 | C4 | N1 | 130.4° | 60.0° |
HA2 | CA1 | CM | CH | 6.3° | 60.0° |
HA2 | CA1 | CM | HM | 113.7° | 59.9° |
HA2 | CA1 | CM | HM1 | 126.3° | 180.0° |
HA2 | CA1 | C4 | N1 | 10.4° | 60.0° |
CH | CM | HM | HM1 | 120.0° | 120.0° |
CM | CH | OH | CA | 122.8° | 120.0° |
CM | CH | OH | HCH | 119.2° | 120.0° |
CM | CH | CA | HCH | 119.1° | 120.0° |
CM | CH | OH | HO1 | 180.0° | 54.9° |
CM | CH | CA | N | 126.5° | 56.8° |
CM | CH | CA | CB | 113.4° | 176.8° |
CM | CH | CA | HA | 8.0° | 63.2° |
HM | CM | CH | OH | 176.3° | 175.0° |
HM | CM | CH | CA | 62.3° | 55.0° |
HM | CM | CH | HCH | 55.6° | 65.0° |
HM1 | CM | CH | OH | 63.7° | 55.0° |
HM1 | CM | CH | CA | 57.6° | 65.0° |
HM1 | CM | CH | HCH | 175.6° | 175.0° |
OH | CH | CA | HCH | 120.6° | 120.0° |
OH | CH | CA | N | 6.3° | 63.2° |
OH | CH | CA | CB | 126.3° | 56.8° |
OH | CH | CA | HA | 112.2° | 176.7° |
CA | CH | OH | HO1 | 57.2° | 65.2° |
CH | CA | N | CB | 115.8° | 120.0° |
CH | CA | N | HA | 122.5° | 120.0° |
CH | CA | CB | HA | 122.3° | 119.9° |
CH | CA | N | H | 73.0° | 64.9° |
CH | CA | CB | CG | 169.0° | 175.0° |
CH | CA | CB | HB2 | 71.0° | 65.0° |
CH | CA | CB | HB3 | 49.0° | 55.0° |
CH | CA | N | C | 107.0° | 115.1° |
HCH | CH | OH | HO1 | 60.8° | 174.9° |
HCH | CH | CA | N | 114.3° | 176.8° |
HCH | CH | CA | CB | 5.7° | 63.2° |
HCH | CH | CA | HA | 127.2° | 56.8° |
N | CA | CB | HA | 118.5° | 120.1° |
CA | N | H | C | 180.0° | 180.0° |
N | CA | CB | CG | 71.8° | 65.0° |
N | CA | CB | HB2 | 48.2° | 55.0° |
N | CA | CB | HB3 | 168.2° | 175.0° |
CB | CA | N | H | 42.8° | 55.1° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 117.6° | 120.0° |
CA | CB | CG | CD1 | 24.6° | 90.0° |
CA | CB | CG | CD2 | 155.9° | 90.3° |
CB | CA | N | C | 137.2° | 124.9° |
HA | CA | N | H | 164.5° | 175.2° |
HA | CA | CB | CG | 46.7° | 55.0° |
HA | CA | CB | HB2 | 166.7° | 175.0° |
HA | CA | CB | HB3 | 73.3° | 64.9° |
HA | CA | N | C | 15.5° | 4.9° |
CG | CB | HB2 | HB3 | 117.7° | 120.0° |
CB | CG | CD1 | CD2 | 179.5° | 179.7° |
CB | CG | CD1 | CE1 | 179.2° | 180.0° |
CB | CG | CD1 | HD1 | 0.8° | 0.1° |
CB | CG | CD2 | CE2 | 179.1° | 180.0° |
CB | CG | CD2 | HD2 | 0.9° | 0.0° |
HB2 | CB | CG | CD1 | 95.4° | 30.0° |
HB2 | CB | CG | CD2 | 84.1° | 149.7° |
HB3 | CB | CG | CD1 | 144.6° | 150.0° |
HB3 | CB | CG | CD2 | 35.9° | 29.7° |
CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
CG | CD1 | CE1 | CZ | 0.1° | 0.1° |
CG | CD1 | CE1 | HE1 | 180.0° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.3° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
CG | CD2 | CE2 | CZ | 0.3° | 0.1° |
CG | CD2 | CE2 | HE2 | 179.7° | 179.9° |
CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.0° | 0.2° |
CD1 | CE1 | CZ | HZ | 180.0° | 180.0° |
HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.0° | 0.0° |
CD2 | CE2 | CZ | CE1 | 0.1° | 0.2° |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
CD2 | CE2 | CZ | HZ | 179.9° | 180.0° |
HD2 | CD2 | CE2 | CZ | 179.7° | 179.9° |
HD2 | CD2 | CE2 | HE2 | 0.3° | 0.1° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
CE1 | CZ | CE2 | HE2 | 179.9° | 179.7° |
HE1 | CE1 | CZ | CE2 | 179.9° | 179.8° |
HE1 | CE1 | CZ | HZ | 0.1° | 0.0° |
HE2 | CE2 | CZ | HZ | 0.1° | 0.2° |
CA2 | N1 | H1 | C4 | 180.0° | 180.0° |
N1 | CA2 | CB1 | CH1 | 121.8° | 120.0° |
N1 | CA2 | CB1 | HA3 | 118.6° | 120.0° |
N1 | CA2 | CH1 | HA3 | 118.6° | 120.1° |
N1 | CA2 | CB1 | CG1 | 46.9° | 173.8° |
N1 | CA2 | CB1 | HB21 | 73.1° | 53.8° |
N1 | CA2 | CB1 | HB31 | 166.8° | 66.2° |
N1 | CA2 | CH1 | OH1 | 55.5° | 60.0° |
N1 | CA2 | CH1 | CM1 | 65.0° | 60.0° |
N1 | CA2 | CH1 | HH | 175.6° | 180.0° |
H1 | N1 | CA2 | CB1 | 65.4° | 92.2° |
H1 | N1 | CA2 | CH1 | 54.1° | 27.8° |
H1 | N1 | CA2 | HA3 | 173.7° | 147.9° |
CB1 | CA2 | CH1 | HA3 | 120.9° | 120.0° |
CA2 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
CA2 | CB1 | CG1 | HB31 | 120.0° | 120.0° |
CA2 | CB1 | HB21 | HB31 | 118.3° | 120.0° |
CA2 | CB1 | CG1 | CD11 | 63.6° | 174.9° |
CA2 | CB1 | CG1 | CD21 | 176.2° | 65.1° |
CA2 | CB1 | CG1 | HG | 56.7° | 54.9° |
CB1 | CA2 | CH1 | OH1 | 65.0° | 60.0° |
CB1 | CA2 | CH1 | CM1 | 174.5° | NaN° |
CB1 | CA2 | CH1 | HH | 55.1° | 60.1° |
CB1 | CA2 | N1 | C4 | 114.6° | 87.9° |
CH1 | CA2 | CB1 | CG1 | 168.6° | 66.2° |
CH1 | CA2 | CB1 | HB21 | 48.6° | 173.8° |
CH1 | CA2 | CB1 | HB31 | 71.4° | 53.8° |
CA2 | CH1 | OH1 | CM1 | 121.7° | 120.0° |
CA2 | CH1 | OH1 | HH | 118.8° | 120.0° |
CA2 | CH1 | CM1 | HH | 118.8° | 120.0° |
CA2 | CH1 | OH1 | HO | 180.0° | 60.0° |
CA2 | CH1 | CM1 | C5 | 79.3° | 175.0° |
CA2 | CH1 | CM1 | HM11 | 160.7° | 65.0° |
CA2 | CH1 | CM1 | HM2 | 40.7° | 55.0° |
CH1 | CA2 | N1 | C4 | 125.9° | 152.2° |
HA3 | CA2 | CB1 | CG1 | 71.7° | 53.8° |
HA3 | CA2 | CB1 | HB21 | 168.3° | 66.2° |
HA3 | CA2 | CB1 | HB31 | 48.3° | 173.8° |
HA3 | CA2 | CH1 | OH1 | 174.1° | 180.0° |
HA3 | CA2 | CH1 | CM1 | 53.6° | 60.0° |
HA3 | CA2 | CH1 | HH | 65.8° | 59.9° |
HA3 | CA2 | N1 | C4 | 6.2° | 32.1° |
CG1 | CB1 | HB21 | HB31 | 118.3° | 120.0° |
CB1 | CG1 | CD11 | CD21 | 121.2° | 120.0° |
CB1 | CG1 | CD11 | HG | 119.3° | 120.0° |
CB1 | CG1 | CD21 | HG | 119.3° | 119.9° |
CB1 | CG1 | CD11 | CE11 | 178.2° | 180.0° |
CB1 | CG1 | CD11 | HD12 | 61.8° | 60.0° |
CB1 | CG1 | CD11 | HD13 | 58.2° | 60.0° |
CB1 | CG1 | CD21 | CE21 | 177.9° | 180.0° |
CB1 | CG1 | CD21 | HD23 | 57.9° | 60.0° |
CB1 | CG1 | CD21 | HD22 | 62.1° | 60.1° |
HB21 | CB1 | CG1 | CD11 | 176.4° | 65.1° |
HB21 | CB1 | CG1 | CD21 | 56.2° | 54.9° |
HB21 | CB1 | CG1 | HG | 63.3° | 174.9° |
HB31 | CB1 | CG1 | CD11 | 56.4° | 54.9° |
HB31 | CB1 | CG1 | CD21 | 63.8° | 174.9° |
HB31 | CB1 | CG1 | HG | 176.7° | 65.1° |
CD11 | CG1 | CD21 | HG | 120.3° | 120.0° |
CG1 | CD11 | CE11 | HD12 | 120.0° | 120.0° |
CG1 | CD11 | CE11 | HD13 | 120.0° | 120.0° |
CG1 | CD11 | HD12 | HD13 | 119.4° | 120.0° |
CD11 | CG1 | CD21 | CE21 | 61.6° | 60.0° |
CD11 | CG1 | CD21 | HD23 | 178.3° | 180.0° |
CD11 | CG1 | CD21 | HD22 | 58.4° | 60.0° |
CG1 | CD11 | CE11 | CZ1 | 56.6° | 60.0° |
CG1 | CD11 | CE11 | HE12 | 176.5° | 180.0° |
CG1 | CD11 | CE11 | HE13 | 63.4° | 60.0° |
CD21 | CG1 | CD11 | CE11 | 60.6° | 60.0° |
CD21 | CG1 | CD11 | HD12 | 59.4° | 60.0° |
CD21 | CG1 | CD11 | HD13 | 179.4° | 180.0° |
CG1 | CD21 | CE21 | HD23 | 120.0° | 120.1° |
CG1 | CD21 | CE21 | HD22 | 120.0° | 119.9° |
CG1 | CD21 | HD23 | HD22 | 119.4° | 120.0° |
CG1 | CD21 | CE21 | CZ1 | 60.8° | 60.0° |
CG1 | CD21 | CE21 | HE23 | 59.2° | 60.0° |
CG1 | CD21 | CE21 | HE22 | 179.2° | 180.0° |
HG | CG1 | CD11 | CE11 | 59.0° | 60.0° |
HG | CG1 | CD11 | HD12 | 178.9° | 180.0° |
HG | CG1 | CD11 | HD13 | 61.1° | 60.0° |
HG | CG1 | CD21 | CE21 | 58.7° | 60.1° |
HG | CG1 | CD21 | HD23 | 61.4° | 60.0° |
HG | CG1 | CD21 | HD22 | 178.7° | 180.0° |
CE11 | CD11 | HD12 | HD13 | 119.4° | 120.0° |
CD11 | CE11 | CZ1 | HE12 | 120.0° | 120.0° |
CD11 | CE11 | CZ1 | HE13 | 120.0° | 119.9° |
CD11 | CE11 | HE12 | HE13 | 119.8° | 120.0° |
CD11 | CE11 | CZ1 | CE21 | 54.1° | 60.0° |
CD11 | CE11 | CZ1 | HZ2 | 65.9° | 60.0° |
CD11 | CE11 | CZ1 | HZ3 | 174.1° | 180.0° |
HD12 | CD11 | CE11 | CZ1 | 63.5° | 60.0° |
HD12 | CD11 | CE11 | HE12 | 56.5° | 60.0° |
HD12 | CD11 | CE11 | HE13 | 176.6° | 180.0° |
HD13 | CD11 | CE11 | CZ1 | 176.6° | 180.0° |
HD13 | CD11 | CE11 | HE12 | 63.4° | 60.0° |
HD13 | CD11 | CE11 | HE13 | 56.6° | 60.1° |
CE21 | CD21 | HD23 | HD22 | 119.4° | 120.0° |
CD21 | CE21 | CZ1 | CE11 | 55.3° | 60.1° |
CD21 | CE21 | CZ1 | HE23 | 120.0° | 120.0° |
CD21 | CE21 | CZ1 | HE22 | 120.0° | 120.0° |
CD21 | CE21 | HE23 | HE22 | 119.6° | 120.0° |
CD21 | CE21 | CZ1 | HZ2 | 64.8° | 60.0° |
CD21 | CE21 | CZ1 | HZ3 | 175.3° | 180.0° |
HD23 | CD21 | CE21 | CZ1 | 179.2° | 180.0° |
HD23 | CD21 | CE21 | HE23 | 60.8° | 60.1° |
HD23 | CD21 | CE21 | HE22 | 59.2° | 60.0° |
HD22 | CD21 | CE21 | CZ1 | 59.2° | 60.0° |
HD22 | CD21 | CE21 | HE23 | 179.2° | 179.9° |
HD22 | CD21 | CE21 | HE22 | 60.8° | 60.0° |
CZ1 | CE11 | HE12 | HE13 | 119.8° | 120.1° |
CE11 | CZ1 | CE21 | HZ2 | 120.0° | 120.0° |
CE11 | CZ1 | CE21 | HZ3 | 120.0° | 120.0° |
CE11 | CZ1 | CE21 | HE23 | 64.7° | 59.9° |
CE11 | CZ1 | CE21 | HE22 | 175.3° | 180.0° |
CE11 | CZ1 | HZ2 | HZ3 | 120.0° | 120.0° |
HE12 | CE11 | CZ1 | CE21 | 174.1° | 180.0° |
HE12 | CE11 | CZ1 | HZ2 | 54.1° | 59.9° |
HE12 | CE11 | CZ1 | HZ3 | 65.9° | 60.1° |
HE13 | CE11 | CZ1 | CE21 | 65.9° | 59.9° |
HE13 | CE11 | CZ1 | HZ2 | 174.1° | 179.9° |
HE13 | CE11 | CZ1 | HZ3 | 54.1° | 60.0° |
CZ1 | CE21 | HE23 | HE22 | 119.5° | 120.0° |
CE21 | CZ1 | HZ2 | HZ3 | 120.0° | 120.0° |
HE23 | CE21 | CZ1 | HZ2 | 175.3° | 180.0° |
HE23 | CE21 | CZ1 | HZ3 | 55.3° | 60.0° |
HE22 | CE21 | CZ1 | HZ2 | 55.3° | 60.0° |
HE22 | CE21 | CZ1 | HZ3 | 64.7° | 60.0° |
OH1 | CH1 | CM1 | HH | 120.1° | 120.0° |
OH1 | CH1 | CM1 | C5 | 159.6° | 65.0° |
OH1 | CH1 | CM1 | HM11 | 39.6° | 55.0° |
OH1 | CH1 | CM1 | HM2 | 80.4° | 175.0° |
CM1 | CH1 | OH1 | HO | 58.3° | 60.0° |
CH1 | CM1 | C5 | HM11 | 120.0° | 120.0° |
CH1 | CM1 | C5 | HM2 | 120.0° | 120.0° |
CH1 | CM1 | HM11 | HM2 | 119.8° | 120.0° |
CH1 | CM1 | C5 | O | 79.5° | 0.0° |
CH1 | CM1 | C5 | N2 | 91.2° | 180.0° |
HH | CH1 | OH1 | HO | 61.2° | 179.9° |
HH | CH1 | CM1 | C5 | 39.5° | 55.0° |
HH | CH1 | CM1 | HM11 | 80.5° | 175.0° |
HH | CH1 | CM1 | HM2 | 159.5° | 65.0° |
C5 | CM1 | HM11 | HM2 | 119.8° | 120.0° |
CM1 | C5 | O | N2 | 170.1° | 180.0° |
CM1 | C5 | N2 | CA3 | 175.9° | 180.0° |
CM1 | C5 | N2 | H2 | 4.1° | 0.0° |
HM11 | CM1 | C5 | O | 160.5° | 120.0° |
HM11 | CM1 | C5 | N2 | 28.8° | 60.0° |
HM2 | CM1 | C5 | O | 40.5° | 120.0° |
HM2 | CM1 | C5 | N2 | 148.8° | 60.0° |
O | C5 | N2 | CA3 | 5.4° | 0.0° |
O | C5 | N2 | H2 | 174.6° | 180.0° |
CA3 | N2 | H2 | C5 | 180.0° | 180.0° |
N2 | CA3 | C6 | CB2 | 120.2° | 120.0° |
N2 | CA3 | C6 | HA4 | 119.8° | 120.0° |
N2 | CA3 | CB2 | HA4 | 119.8° | 120.0° |
N2 | CA3 | C6 | O3 | 54.4° | 0.0° |
N2 | CA3 | C6 | OXT | 126.1° | 180.0° |
N2 | CA3 | CB2 | CG2 | 177.9° | 65.0° |
N2 | CA3 | CB2 | HB22 | 57.9° | 55.0° |
N2 | CA3 | CB2 | HB32 | 62.1° | 175.0° |
H2 | N2 | CA3 | C6 | 114.7° | 95.0° |
H2 | N2 | CA3 | CB2 | 5.6° | 25.0° |
H2 | N2 | CA3 | HA4 | 125.5° | 145.0° |
C6 | CA3 | CB2 | HA4 | 119.8° | 120.0° |
CA3 | C6 | O3 | OXT | 179.5° | 180.0° |
C6 | CA3 | CB2 | CG2 | 61.6° | 175.0° |
C6 | CA3 | CB2 | HB22 | 178.4° | 65.0° |
C6 | CA3 | CB2 | HB32 | 58.4° | 55.0° |
CA3 | C6 | OXT | HXT | 179.5° | 180.0° |
C6 | CA3 | N2 | C5 | 65.3° | 85.0° |
CB2 | CA3 | C6 | O3 | 65.8° | 120.0° |
CB2 | CA3 | C6 | OXT | 113.7° | 60.0° |
CA3 | CB2 | CG2 | HB22 | 120.0° | 119.9° |
CA3 | CB2 | CG2 | HB32 | 120.0° | 120.0° |
CA3 | CB2 | HB22 | HB32 | 119.3° | 120.0° |
CA3 | CB2 | CG2 | CD12 | 48.2° | 175.0° |
CA3 | CB2 | CG2 | CD22 | 176.2° | 65.0° |
CA3 | CB2 | CG2 | HG1 | 65.7° | 55.0° |
CB2 | CA3 | N2 | C5 | 174.4° | 155.0° |
HA4 | CA3 | C6 | O3 | 174.2° | 120.0° |
HA4 | CA3 | C6 | OXT | 6.3° | 60.0° |
HA4 | CA3 | CB2 | CG2 | 58.1° | 55.0° |
HA4 | CA3 | CB2 | HB22 | 61.9° | 175.0° |
HA4 | CA3 | CB2 | HB32 | 178.1° | 65.0° |
HA4 | CA3 | N2 | C5 | 54.4° | 35.0° |
O3 | C6 | OXT | HXT | 0.0° | 0.0° |
CG2 | CB2 | HB22 | HB32 | 119.3° | 120.0° |
CB2 | CG2 | CD12 | CD22 | 137.2° | 120.0° |
CB2 | CG2 | CD12 | HG1 | 111.1° | 120.0° |
CB2 | CG2 | CD22 | HG1 | 110.0° | 120.0° |
CB2 | CG2 | CD12 | HD11 | 180.0° | 60.0° |
CB2 | CG2 | CD12 | HD14 | 60.0° | 179.9° |
CB2 | CG2 | CD12 | HD15 | 60.0° | 60.0° |
CB2 | CG2 | CD22 | HD21 | 180.0° | 60.0° |
CB2 | CG2 | CD22 | HD24 | 60.0° | 180.0° |
CB2 | CG2 | CD22 | HD25 | 60.0° | 60.0° |
HB22 | CB2 | CG2 | CD12 | 71.8° | 55.0° |
HB22 | CB2 | CG2 | CD22 | 63.8° | 175.1° |
HB22 | CB2 | CG2 | HG1 | 174.3° | 65.0° |
HB32 | CB2 | CG2 | CD12 | 168.2° | 65.0° |
HB32 | CB2 | CG2 | CD22 | 56.2° | 55.0° |
HB32 | CB2 | CG2 | HG1 | 54.2° | 175.0° |
CD12 | CG2 | CD22 | HG1 | 114.1° | 120.0° |
CG2 | CD12 | HD11 | HD14 | 120.0° | 120.0° |
CG2 | CD12 | HD11 | HD15 | 120.0° | 120.0° |
CG2 | CD12 | HD14 | HD15 | 120.0° | 120.1° |
CD12 | CG2 | CD22 | HD21 | 44.2° | 180.0° |
CD12 | CG2 | CD22 | HD24 | 75.8° | 60.0° |
CD12 | CG2 | CD22 | HD25 | 164.2° | 60.0° |
CD22 | CG2 | CD12 | HD11 | 42.8° | 60.0° |
CD22 | CG2 | CD12 | HD14 | 162.8° | 59.9° |
CD22 | CG2 | CD12 | HD15 | 77.2° | 180.0° |
CG2 | CD22 | HD21 | HD24 | 120.0° | 120.1° |
CG2 | CD22 | HD21 | HD25 | 120.0° | 120.0° |
CG2 | CD22 | HD24 | HD25 | 120.0° | 119.9° |
HG1 | CG2 | CD12 | HD11 | 68.9° | 180.0° |
HG1 | CG2 | CD12 | HD14 | 51.1° | 60.0° |
HG1 | CG2 | CD12 | HD15 | 171.1° | 60.0° |
HG1 | CG2 | CD22 | HD21 | 69.9° | 60.0° |
HG1 | CG2 | CD22 | HD24 | 170.0° | 60.0° |
HG1 | CG2 | CD22 | HD25 | 50.0° | 180.0° |
HD11 | CD12 | HD14 | HD15 | 120.0° | 120.0° |
HD21 | CD22 | HD24 | HD25 | 119.9° | 120.0° |