XXA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CN | N | sing | 1.47Å | 1.46Å | |
| CT | CH | doub | 1.33Å | 1.33Å | |
| CZ | CE | doub | 1.33Å | 1.33Å | |
| CZ | CH | sing | 1.47Å | 1.47Å | |
| CD2 | CE | sing | 1.51Å | 1.52Å | |
| CD2 | CG2 | sing | 1.53Å | 1.53Å | |
| OG1 | CB | sing | 1.43Å | 1.42Å | |
| CG2 | CB | sing | 1.53Å | 1.55Å | |
| CG2 | CD1 | sing | 1.53Å | 1.54Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CE | HE | sing | 1.08Å | 1.08Å | |
| CH | HH | sing | 1.08Å | 1.08Å | |
| CN | HN | sing | 1.09Å | 1.10Å | |
| CN | HNA | sing | 1.09Å | 1.10Å | |
| CN | H8 | sing | 1.09Å | 1.10Å | |
| CT | HT | sing | 1.08Å | 1.08Å | |
| CT | HTA | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CD1 | HD1B | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2A | sing | 1.09Å | 1.10Å | |
| OG1 | HOG1 | sing | 0.97Å | 0.95Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 119.5° | 120.0° |
| OXT | C | CA | 119.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | C | 115.1° | 109.5° |
| N | CA | CB | 114.3° | 109.5° |
| CA | N | CN | 119.3° | 111.0° |
| CA | N | H | 106.3° | 110.9° |
| N | CA | HA | 102.2° | 109.4° |
| O | C | CA | 121.0° | 120.0° |
| C | CA | CB | 111.1° | 109.5° |
| C | CA | HA | 106.1° | 109.5° |
| CA | CB | OG1 | 108.3° | 109.5° |
| CA | CB | CG2 | 114.3° | 109.5° |
| CB | CA | HA | 107.0° | 109.5° |
| CA | CB | HB | 107.8° | 109.5° |
| CN | N | H | 106.3° | 111.0° |
| N | CN | HN | 109.5° | 109.5° |
| N | CN | HNA | 109.4° | 109.5° |
| N | CN | H8 | 109.5° | 109.5° |
| CT | CH | CZ | 120.1° | 120.0° |
| CT | CH | HH | 119.9° | 120.0° |
| CH | CT | HT | 120.0° | 120.0° |
| CH | CT | HTA | 120.0° | 120.0° |
| CE | CZ | CH | 119.5° | 120.0° |
| CZ | CE | CD2 | 120.5° | 120.0° |
| CZ | CE | HE | 119.8° | 120.0° |
| CE | CZ | HZ | 120.3° | 120.0° |
| CZ | CH | HH | 120.0° | 119.9° |
| CH | CZ | HZ | 120.3° | 119.9° |
| CE | CD2 | CG2 | 111.7° | 109.5° |
| CD2 | CE | HE | 119.8° | 120.0° |
| CE | CD2 | HD2 | 108.8° | 109.5° |
| CE | CD2 | HD2A | 108.7° | 109.5° |
| CD2 | CG2 | CB | 113.1° | 109.5° |
| CD2 | CG2 | CD1 | 110.4° | 109.4° |
| CG2 | CD2 | HD2 | 108.7° | 109.5° |
| CG2 | CD2 | HD2A | 108.8° | 109.5° |
| CD2 | CG2 | HG2 | 107.8° | 109.4° |
| OG1 | CB | CG2 | 111.7° | 109.5° |
| OG1 | CB | HB | 110.6° | 109.4° |
| CB | OG1 | HOG1 | 109.5° | 114.0° |
| CB | CG2 | CD1 | 113.6° | 109.5° |
| CG2 | CB | HB | 104.1° | 109.4° |
| CB | CG2 | HG2 | 104.2° | 109.5° |
| CG2 | CD1 | HD1 | 109.5° | 109.4° |
| CG2 | CD1 | HD1A | 109.5° | 109.5° |
| CG2 | CD1 | HD1B | 109.5° | 109.5° |
| CD1 | CG2 | HG2 | 107.2° | 109.5° |
| HN | CN | HNA | 109.5° | 109.4° |
| HN | CN | H8 | 109.5° | 109.5° |
| HNA | CN | H8 | 109.5° | 109.5° |
| HT | CT | HTA | 120.0° | 120.0° |
| HD1 | CD1 | HD1A | 109.4° | 109.5° |
| HD1 | CD1 | HD1B | 109.5° | 109.4° |
| HD1A | CD1 | HD1B | 109.5° | 109.5° |
| HD2 | CD2 | HD2A | 110.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | N | 165.4° | 180.0° |
| OXT | C | O | CA | 180.0° | 179.7° |
| OXT | C | CA | CB | 62.7° | 60.0° |
| OXT | C | CA | HA | 53.2° | 60.0° |
| N | CA | C | O | 14.6° | 0.3° |
| N | CA | C | CB | 131.8° | 120.0° |
| N | CA | C | HA | 112.2° | 120.0° |
| N | CA | CB | HA | 112.4° | 120.0° |
| CA | N | CN | H | 120.0° | 123.9° |
| N | CA | CB | OG1 | 76.8° | 65.0° |
| N | CA | CB | CG2 | 48.4° | 55.0° |
| N | CA | CB | HB | 163.5° | 175.0° |
| CA | N | CN | HN | 180.0° | 180.0° |
| CA | N | CN | HNA | 60.0° | 60.1° |
| CA | N | CN | H8 | 60.0° | 60.0° |
| O | C | CA | CB | 117.3° | 119.7° |
| O | C | CA | HA | 126.8° | 120.3° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | HA | 115.4° | 120.0° |
| C | CA | N | CN | 69.9° | 85.0° |
| C | CA | CB | OG1 | 55.4° | 55.0° |
| C | CA | CB | CG2 | 179.4° | 175.0° |
| C | CA | N | H | 170.1° | 39.0° |
| C | CA | CB | HB | 64.2° | 65.0° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| CB | CA | N | CN | 60.4° | 155.0° |
| CA | CB | CG2 | CD2 | 179.7° | 180.0° |
| CA | CB | OG1 | CG2 | 126.7° | 120.0° |
| CA | CB | OG1 | HB | 117.9° | 120.0° |
| CA | CB | CG2 | HB | 117.3° | 120.0° |
| CA | CB | CG2 | CD1 | 52.7° | 60.0° |
| CB | CA | N | H | 59.6° | 81.0° |
| CA | CB | OG1 | HOG1 | 180.0° | 60.0° |
| CA | CB | CG2 | HG2 | 63.6° | 60.0° |
| CN | N | CA | HA | 175.7° | 35.0° |
| N | CN | HN | HNA | 120.0° | 119.9° |
| N | CN | HN | H8 | 120.0° | 120.1° |
| N | CN | HNA | H8 | 120.0° | 120.1° |
| CT | CH | CZ | CE | 179.4° | 180.0° |
| CT | CH | CZ | HH | 180.0° | 179.9° |
| CH | CT | HT | HTA | 180.0° | 180.0° |
| CT | CH | CZ | HZ | 0.6° | 0.0° |
| CE | CZ | CH | HZ | 180.0° | 180.0° |
| CZ | CE | CD2 | HE | 180.0° | 180.0° |
| CZ | CE | CD2 | CG2 | 127.8° | 125.0° |
| CE | CZ | CH | HH | 0.6° | 0.1° |
| CZ | CE | CD2 | HD2 | 7.8° | 115.0° |
| CZ | CE | CD2 | HD2A | 112.2° | 5.0° |
| CH | CZ | CE | CD2 | 180.0° | 180.0° |
| CH | CZ | CE | HE | 0.0° | 0.0° |
| CZ | CH | CT | HT | 180.0° | 180.0° |
| CZ | CH | CT | HTA | 0.0° | 0.1° |
| CE | CD2 | CG2 | HD2 | 120.0° | 120.0° |
| CE | CD2 | CG2 | HD2A | 120.0° | 120.0° |
| CE | CD2 | CG2 | CB | 73.7° | 175.0° |
| CE | CD2 | CG2 | CD1 | 54.8° | 65.0° |
| CD2 | CE | CZ | HZ | 0.0° | 0.0° |
| CE | CD2 | HD2 | HD2A | 119.1° | 120.0° |
| CE | CD2 | CG2 | HG2 | 171.7° | 55.0° |
| CD2 | CG2 | CB | OG1 | 56.9° | 59.9° |
| CD2 | CG2 | CB | CD1 | 126.9° | 120.0° |
| CD2 | CG2 | CB | HG2 | 116.7° | 120.0° |
| CD2 | CG2 | CD1 | HG2 | 117.2° | 119.9° |
| CD2 | CG2 | CB | HB | 62.4° | 60.0° |
| CG2 | CD2 | CE | HE | 52.2° | 55.0° |
| CD2 | CG2 | CD1 | HD1 | 180.0° | 180.0° |
| CD2 | CG2 | CD1 | HD1A | 60.0° | 60.0° |
| CD2 | CG2 | CD1 | HD1B | 60.0° | 60.1° |
| CG2 | CD2 | HD2 | HD2A | 119.1° | 120.0° |
| OG1 | CB | CG2 | HB | 119.3° | 119.9° |
| OG1 | CB | CG2 | CD1 | 176.2° | 179.9° |
| OG1 | CB | CA | HA | 170.8° | 175.0° |
| OG1 | CB | CG2 | HG2 | 59.8° | 60.0° |
| CB | CG2 | CD1 | HG2 | 114.5° | 120.0° |
| CG2 | CB | CA | HA | 64.0° | 65.0° |
| CB | CG2 | CD1 | HD1 | 51.7° | 60.0° |
| CB | CG2 | CD1 | HD1A | 171.7° | 180.0° |
| CB | CG2 | CD1 | HD1B | 68.3° | 60.0° |
| CB | CG2 | CD2 | HD2 | 46.3° | 65.0° |
| CB | CG2 | CD2 | HD2A | 166.3° | 54.9° |
| CG2 | CB | OG1 | HOG1 | 53.3° | 60.0° |
| CD1 | CG2 | CB | HB | 64.5° | 60.0° |
| CG2 | CD1 | HD1 | HD1A | 120.0° | 120.0° |
| CG2 | CD1 | HD1 | HD1B | 120.0° | 119.9° |
| CG2 | CD1 | HD1A | HD1B | 120.0° | 120.0° |
| CD1 | CG2 | CD2 | HD2 | 174.9° | 55.1° |
| CD1 | CG2 | CD2 | HD2A | 65.1° | 175.0° |
| H | N | CA | HA | 55.7° | 159.0° |
| H | N | CN | HN | 60.0° | 56.1° |
| H | N | CN | HNA | 180.0° | 176.0° |
| H | N | CN | H8 | 60.0° | 63.9° |
| HA | CA | CB | HB | 51.1° | 55.0° |
| HB | CB | OG1 | HOG1 | 62.1° | 180.0° |
| HB | CB | CG2 | HG2 | 179.2° | 180.0° |
| HE | CE | CZ | HZ | 179.9° | 180.0° |
| HE | CE | CD2 | HD2 | 172.2° | 65.0° |
| HE | CE | CD2 | HD2A | 67.8° | 175.0° |
| HH | CH | CT | HT | 0.0° | 0.1° |
| HH | CH | CT | HTA | 180.0° | 180.0° |
| HH | CH | CZ | HZ | 179.4° | 179.9° |
| HN | CN | HNA | H8 | 120.0° | 120.0° |
| HD1 | CD1 | HD1A | HD1B | 120.0° | 120.0° |
| HD1 | CD1 | CG2 | HG2 | 62.8° | 60.1° |
| HD1A | CD1 | CG2 | HG2 | 57.1° | 59.9° |
| HD1B | CD1 | CG2 | HG2 | 177.2° | 180.0° |
| HD2 | CD2 | CG2 | HG2 | 68.3° | 175.0° |
| HD2A | CD2 | CG2 | HG2 | 51.7° | 65.1° |
