PCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.46Å | |
| C | CT | sing | 1.51Å | 1.62Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CD1 | CG | doub | 1.38Å | 1.37Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.43Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CG | CD2 | sing | 1.38Å | 1.47Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.43Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | CE1 | doub | 1.38Å | 1.43Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CT | CL1 | sing | 1.80Å | 1.59Å | |
| CT | HT1 | sing | 1.09Å | 1.11Å | |
| CT | HT2 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.4° | 106.7° |
| CA | N | H2 | 111.5° | 106.6° |
| N | CA | C | 111.4° | 109.4° |
| N | CA | CB | 107.9° | 109.5° |
| N | CA | HA | 106.3° | 109.4° |
| H | N | H2 | 111.5° | 106.7° |
| C | CA | CB | 98.1° | 109.5° |
| C | CA | HA | 114.9° | 109.5° |
| CA | C | O | 118.3° | 120.0° |
| CA | C | CT | 114.4° | 120.0° |
| CB | CA | HA | 118.0° | 109.6° |
| CA | CB | CG | 115.4° | 109.4° |
| CA | CB | HB2 | 110.0° | 109.5° |
| CA | CB | HB3 | 110.1° | 109.4° |
| O | C | CT | 94.1° | 120.0° |
| C | CT | CL1 | 116.0° | 109.5° |
| C | CT | HT1 | 109.9° | 109.5° |
| C | CT | HT2 | 109.9° | 109.5° |
| CG | CB | HB2 | 110.1° | 109.5° |
| CG | CB | HB3 | 110.1° | 109.5° |
| CB | CG | CD1 | 124.7° | 120.0° |
| CB | CG | CD2 | 116.1° | 120.0° |
| HB2 | CB | HB3 | 100.1° | 109.5° |
| CG | CD1 | CE1 | 123.6° | 120.0° |
| CG | CD1 | HD1 | 115.7° | 120.0° |
| CD1 | CG | CD2 | 119.2° | 120.0° |
| CE1 | CD1 | HD1 | 120.6° | 120.0° |
| CD1 | CE1 | CZ | 119.1° | 120.0° |
| CD1 | CE1 | HE1 | 120.5° | 120.0° |
| CG | CD2 | CE2 | 115.0° | 120.0° |
| CG | CD2 | HD2 | 123.8° | 120.0° |
| CE2 | CD2 | HD2 | 121.2° | 120.0° |
| CD2 | CE2 | CZ | 126.6° | 120.0° |
| CD2 | CE2 | HE2 | 118.4° | 120.0° |
| CZ | CE2 | HE2 | 115.0° | 120.0° |
| CE2 | CZ | CE1 | 116.5° | 120.0° |
| CE2 | CZ | HZ | 120.3° | 120.0° |
| CE1 | CZ | HZ | 123.2° | 120.0° |
| CZ | CE1 | HE1 | 120.4° | 120.0° |
| CL1 | CT | HT1 | 109.9° | 109.4° |
| CL1 | CT | HT2 | 109.8° | 109.5° |
| HT1 | CT | HT2 | 100.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.7° |
| N | CA | C | CB | 113.0° | 119.9° |
| N | CA | C | HA | 120.9° | 119.9° |
| N | CA | CB | HA | 120.4° | 120.0° |
| N | CA | C | O | 162.2° | 29.9° |
| N | CA | C | CT | 52.8° | 150.0° |
| N | CA | CB | CG | 79.8° | 60.1° |
| N | CA | CB | HB2 | 45.5° | 60.0° |
| N | CA | CB | HB3 | 154.9° | 180.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 73.3° | 59.9° |
| H | N | CA | HA | 54.2° | 180.0° |
| H2 | N | CA | C | 54.7° | 173.7° |
| H2 | N | CA | CB | 51.9° | 53.8° |
| H2 | N | CA | HA | 179.4° | 66.3° |
| C | CA | CB | HA | 123.9° | 120.1° |
| CA | C | O | CT | 120.6° | 179.9° |
| C | CA | CB | CG | 164.5° | 180.0° |
| C | CA | CB | HB2 | 70.2° | 59.9° |
| C | CA | CB | HB3 | 39.2° | 60.1° |
| CA | C | CT | CL1 | 75.1° | 180.0° |
| CA | C | CT | HT1 | 50.2° | 60.0° |
| CA | C | CT | HT2 | 159.6° | 60.0° |
| CB | CA | C | O | 84.8° | 90.0° |
| CB | CA | C | CT | 165.7° | 90.1° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | CG | HB3 | 125.3° | 119.9° |
| CA | CB | HB2 | HB3 | 115.8° | 120.0° |
| CA | CB | CG | CD1 | 161.8° | 90.1° |
| CA | CB | CG | CD2 | 17.4° | 90.3° |
| HA | CA | C | O | 41.3° | 149.8° |
| HA | CA | C | CT | 68.1° | 30.1° |
| HA | CA | CB | CG | 40.6° | 59.9° |
| HA | CA | CB | HB2 | 165.9° | 180.0° |
| HA | CA | CB | HB3 | 84.7° | 60.0° |
| O | C | CT | CL1 | 161.2° | 0.1° |
| O | C | CT | HT1 | 73.5° | 119.9° |
| O | C | CT | HT2 | 36.0° | 120.1° |
| C | CT | CL1 | HT1 | 125.3° | 120.0° |
| C | CT | CL1 | HT2 | 125.3° | 120.0° |
| C | CT | HT1 | HT2 | 115.7° | 120.0° |
| CG | CB | HB2 | HB3 | 115.9° | 120.0° |
| CB | CG | CD1 | CD2 | 179.1° | 179.6° |
| CB | CG | CD1 | CE1 | 179.3° | 180.0° |
| CB | CG | CD1 | HD1 | 0.6° | 0.1° |
| CB | CG | CD2 | CE2 | 179.3° | 179.8° |
| CB | CG | CD2 | HD2 | 0.7° | 0.3° |
| HB2 | CB | CG | CD1 | 36.5° | 30.0° |
| HB2 | CB | CG | CD2 | 142.7° | 149.6° |
| HB3 | CB | CG | CD1 | 73.0° | 150.0° |
| HB3 | CB | CG | CD2 | 107.9° | 29.6° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.6° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.6° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.5° | 179.9° |
| CE1 | CD1 | CG | CD2 | 0.2° | 0.4° |
| CD1 | CE1 | CZ | CE2 | 0.7° | 0.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | HZ | 179.2° | 179.9° |
| HD1 | CD1 | CG | CD2 | 179.8° | 179.7° |
| HD1 | CD1 | CE1 | CZ | 179.4° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.6° | 0.1° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.4° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.6° |
| CG | CD2 | CE2 | HE2 | 179.6° | 179.7° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | CE1 | 0.7° | 0.2° |
| CD2 | CE2 | CZ | HZ | 179.3° | 179.8° |
| HD2 | CD2 | CE2 | CZ | 179.6° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.4° | 0.3° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.9° |
| CE2 | CZ | CE1 | HE1 | 179.3° | 179.9° |
| HE2 | CE2 | CZ | CE1 | 179.3° | 180.0° |
| HE2 | CE2 | CZ | HZ | 0.7° | 0.1° |
| HZ | CZ | CE1 | HE1 | 0.7° | 0.0° |
| CL1 | CT | HT1 | HT2 | 115.6° | 120.0° |
