CMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | O2 | sing | 1.34Å | 1.26Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | NE | sing | 1.46Å | 1.46Å | |
| CD | HD1 | sing | 1.09Å | 1.12Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| NE | CZ | sing | 1.38Å | 1.34Å | |
| NE | HE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | sing | 1.37Å | 1.33Å | |
| CZ | NH2 | doub | 1.30Å | 1.32Å | |
| NH1 | HH11 | sing | 0.97Å | 1.02Å | |
| NH1 | HH12 | sing | 0.97Å | 1.02Å | |
| NH2 | HH21 | sing | 0.97Å | 1.02Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 109.4° | 109.5° |
| CB | CA | N | 110.8° | 109.5° |
| CB | CA | HA | 108.8° | 109.5° |
| CA | CB | CG | 114.8° | 109.4° |
| CA | CB | HB1 | 110.2° | 109.5° |
| CA | CB | HB2 | 110.3° | 109.5° |
| C | CA | N | 110.0° | 109.5° |
| C | CA | HA | 109.6° | 109.5° |
| CA | C | O | 117.7° | 120.0° |
| CA | C | OXT | 118.6° | 120.0° |
| N | CA | HA | 108.2° | 109.4° |
| CA | N | C1 | 123.3° | 106.7° |
| CA | N | H | 107.3° | 106.7° |
| CG | CB | HB1 | 110.2° | 109.5° |
| CG | CB | HB2 | 110.2° | 109.4° |
| CB | CG | CD | 111.9° | 109.4° |
| CB | CG | HG1 | 111.3° | 109.5° |
| CB | CG | HG2 | 111.3° | 109.4° |
| HB1 | CB | HB2 | 100.0° | 109.5° |
| O | C | OXT | 123.8° | 120.0° |
| C | OXT | HXT | 118.6° | 120.0° |
| C2 | C1 | N | 114.2° | 109.5° |
| C2 | C1 | H11 | 110.5° | 109.5° |
| C2 | C1 | H12 | 110.5° | 109.5° |
| C1 | C2 | C3 | 114.0° | 109.6° |
| C1 | C2 | H21 | 110.5° | 109.5° |
| C1 | C2 | H22 | 110.5° | 109.4° |
| N | C1 | H11 | 110.5° | 109.4° |
| N | C1 | H12 | 110.5° | 109.5° |
| C1 | N | H | 107.3° | 106.6° |
| H11 | C1 | H12 | 99.7° | 109.4° |
| C3 | C2 | H21 | 110.6° | 109.4° |
| C3 | C2 | H22 | 110.5° | 109.5° |
| C2 | C3 | O1 | 118.7° | 119.9° |
| C2 | C3 | O2 | 118.7° | 120.1° |
| H21 | C2 | H22 | 99.7° | 109.4° |
| O1 | C3 | O2 | 122.6° | 120.0° |
| C3 | O2 | HO2 | 118.7° | 120.0° |
| CD | CG | HG1 | 111.3° | 109.5° |
| CD | CG | HG2 | 111.3° | 109.4° |
| CG | CD | NE | 113.0° | 109.5° |
| CG | CD | HD1 | 110.9° | 109.5° |
| CG | CD | HD2 | 110.9° | 109.4° |
| HG1 | CG | HG2 | 99.0° | 109.5° |
| NE | CD | HD1 | 110.9° | 109.5° |
| NE | CD | HD2 | 110.9° | 109.4° |
| CD | NE | CZ | 124.9° | 120.0° |
| CD | NE | HE | 106.8° | 120.0° |
| HD1 | CD | HD2 | 99.5° | 109.4° |
| CZ | NE | HE | 106.8° | 120.0° |
| NE | CZ | NH1 | 121.2° | 120.0° |
| NE | CZ | NH2 | 119.3° | 120.0° |
| NH1 | CZ | NH2 | 119.5° | 120.0° |
| CZ | NH1 | HH11 | 121.2° | 120.0° |
| CZ | NH1 | HH12 | 108.0° | 120.0° |
| CZ | NH2 | HH21 | 38.5° | 120.0° |
| HH11 | NH1 | HH12 | 108.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | N | 121.9° | 120.0° |
| CB | CA | C | HA | 119.2° | 120.0° |
| CB | CA | N | HA | 119.2° | 120.0° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.1° | 120.0° |
| CB | CA | C | O | 90.1° | 90.0° |
| CB | CA | C | OXT | 90.0° | 90.0° |
| CB | CA | N | C1 | 57.2° | 150.1° |
| CB | CA | N | H | 68.0° | 96.2° |
| CA | CB | CG | CD | 121.0° | 180.0° |
| CA | CB | CG | HG1 | 4.3° | 60.0° |
| CA | CB | CG | HG2 | 113.7° | 60.1° |
| C | CA | N | HA | 119.7° | 120.0° |
| C | CA | CB | CG | 115.8° | 180.0° |
| C | CA | CB | HB1 | 119.0° | 60.0° |
| C | CA | CB | HB2 | 9.5° | 60.0° |
| CA | C | O | OXT | 179.9° | 180.0° |
| C | CA | N | C1 | 178.3° | 90.0° |
| C | CA | N | H | 53.1° | 23.8° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| N | CA | CB | CG | 122.8° | 60.0° |
| N | CA | CB | HB1 | 2.4° | 180.0° |
| N | CA | CB | HB2 | 111.9° | 60.0° |
| N | CA | C | O | 31.8° | 150.0° |
| N | CA | C | OXT | 148.1° | 30.0° |
| CA | N | C1 | C2 | 113.7° | 180.0° |
| CA | N | C1 | H | 125.2° | 113.8° |
| CA | N | C1 | H11 | 121.0° | 60.0° |
| CA | N | C1 | H12 | 11.6° | 59.9° |
| HA | CA | CB | CG | 4.0° | 60.0° |
| HA | CA | CB | HB1 | 121.2° | 60.0° |
| HA | CA | CB | HB2 | 129.2° | 179.9° |
| HA | CA | C | O | 150.6° | 30.0° |
| HA | CA | C | OXT | 29.3° | 150.0° |
| HA | CA | N | C1 | 62.0° | 30.1° |
| HA | CA | N | H | 172.8° | 143.8° |
| CG | CB | HB1 | HB2 | 116.1° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.1° |
| CB | CG | CD | HG2 | 125.3° | 119.9° |
| CB | CG | HG1 | HG2 | 117.2° | 120.0° |
| CB | CG | CD | NE | 150.2° | 180.0° |
| CB | CG | CD | HD1 | 84.6° | 59.9° |
| CB | CG | CD | HD2 | 24.9° | 60.0° |
| HB1 | CB | CG | CD | 113.8° | 59.9° |
| HB1 | CB | CG | HG1 | 120.9° | 180.0° |
| HB1 | CB | CG | HG2 | 11.5° | 59.9° |
| HB2 | CB | CG | CD | 4.3° | 60.1° |
| HB2 | CB | CG | HG1 | 129.6° | 60.0° |
| HB2 | CB | CG | HG2 | 121.0° | 180.0° |
| O | C | OXT | HXT | 0.1° | 0.0° |
| C2 | C1 | N | H11 | 125.3° | 120.0° |
| C2 | C1 | N | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 116.3° | 119.9° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 116.4° | 119.9° |
| C1 | C2 | C3 | O1 | 168.1° | 0.0° |
| C1 | C2 | C3 | O2 | 12.1° | 180.0° |
| C2 | C1 | N | H | 11.5° | 66.2° |
| N | C1 | H11 | H12 | 116.3° | 120.0° |
| N | C1 | C2 | C3 | 53.9° | 180.0° |
| N | C1 | C2 | H21 | 71.4° | 60.0° |
| N | C1 | C2 | H22 | 179.2° | 59.9° |
| H11 | C1 | C2 | C3 | 71.4° | 60.0° |
| H11 | C1 | C2 | H21 | 163.3° | 180.0° |
| H11 | C1 | C2 | H22 | 53.9° | 60.1° |
| H11 | C1 | N | H | 113.7° | 173.8° |
| H12 | C1 | C2 | C3 | 179.2° | 59.9° |
| H12 | C1 | C2 | H21 | 53.9° | 60.1° |
| H12 | C1 | C2 | H22 | 55.5° | 180.0° |
| H12 | C1 | N | H | 136.8° | 53.8° |
| C3 | C2 | H21 | H22 | 116.4° | 120.0° |
| C2 | C3 | O1 | O2 | 179.8° | 180.0° |
| C2 | C3 | O2 | HO2 | 180.0° | 180.0° |
| H21 | C2 | C3 | O1 | 66.6° | 120.0° |
| H21 | C2 | C3 | O2 | 113.2° | 60.0° |
| H22 | C2 | C3 | O1 | 42.8° | 120.0° |
| H22 | C2 | C3 | O2 | 137.4° | 59.9° |
| O1 | C3 | O2 | HO2 | 0.2° | 0.0° |
| CD | CG | HG1 | HG2 | 117.2° | 120.0° |
| CG | CD | NE | HD1 | 125.2° | 120.1° |
| CG | CD | NE | HD2 | 125.2° | 119.9° |
| CG | CD | HD1 | HD2 | 116.8° | 119.9° |
| CG | CD | NE | CZ | 179.2° | 180.0° |
| CG | CD | NE | HE | 53.9° | 0.1° |
| HG1 | CG | CD | NE | 24.9° | 59.9° |
| HG1 | CG | CD | HD1 | 150.1° | 180.0° |
| HG1 | CG | CD | HD2 | 100.4° | 60.0° |
| HG2 | CG | CD | NE | 84.5° | 60.2° |
| HG2 | CG | CD | HD1 | 40.7° | 60.0° |
| HG2 | CG | CD | HD2 | 150.2° | 179.9° |
| NE | CD | HD1 | HD2 | 116.8° | 120.0° |
| CD | NE | CZ | HE | 125.3° | 179.8° |
| CD | NE | CZ | NH1 | 0.3° | 180.0° |
| CD | NE | CZ | NH2 | 179.9° | 0.1° |
| HD1 | CD | NE | CZ | 53.9° | 59.9° |
| HD1 | CD | NE | HE | 71.4° | 120.0° |
| HD2 | CD | NE | CZ | 55.6° | 60.1° |
| HD2 | CD | NE | HE | 179.1° | 120.0° |
| NE | CZ | NH1 | NH2 | 179.6° | 179.9° |
| NE | CZ | NH1 | HH11 | 180.0° | 179.9° |
| NE | CZ | NH1 | HH12 | 54.7° | 0.3° |
| NE | CZ | NH2 | HH21 | 129.1° | 0.0° |
| HE | NE | CZ | NH1 | 125.0° | 0.1° |
| HE | NE | CZ | NH2 | 54.6° | 179.9° |
| CZ | NH1 | HH11 | HH12 | 125.2° | 179.8° |
| NH1 | CZ | NH2 | HH21 | 50.5° | 179.9° |
| NH2 | CZ | NH1 | HH11 | 0.4° | 0.0° |
| NH2 | CZ | NH1 | HH12 | 125.7° | 179.7° |
