PEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 0.99Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | SG | sing | 1.81Å | 1.83Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| SG | SD | sing | 2.05Å | 2.05Å | |
| SD | C1 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 118.1° | 106.7° |
| CA | N | H2 | 112.2° | 106.7° |
| N | CA | CB | 109.4° | 109.5° |
| N | CA | C | 110.8° | 109.4° |
| N | CA | HA | 108.6° | 109.5° |
| H | N | H2 | 121.5° | 106.6° |
| CB | CA | C | 109.4° | 109.5° |
| CB | CA | HA | 110.0° | 109.5° |
| CA | CB | SG | 114.5° | 109.5° |
| CA | CB | HB2 | 110.4° | 109.5° |
| CA | CB | HB3 | 110.4° | 109.5° |
| C | CA | HA | 108.6° | 109.5° |
| CA | C | O | 120.7° | 120.1° |
| CA | C | OXT | 116.5° | 120.0° |
| SG | CB | HB2 | 110.4° | 109.5° |
| SG | CB | HB3 | 110.3° | 109.5° |
| CB | SG | SD | 105.7° | 100.0° |
| HB2 | CB | HB3 | 99.9° | 109.4° |
| SG | SD | C1 | 105.6° | 100.0° |
| SD | C1 | C2 | 113.8° | 109.5° |
| SD | C1 | H11 | 110.6° | 109.5° |
| SD | C1 | H12 | 110.6° | 109.5° |
| C2 | C1 | H11 | 110.6° | 109.5° |
| C2 | C1 | H12 | 110.6° | 109.4° |
| C1 | C2 | C3 | 109.6° | 109.5° |
| C1 | C2 | H21 | 112.1° | 109.4° |
| C1 | C2 | H22 | 112.1° | 109.5° |
| H11 | C1 | H12 | 99.6° | 109.5° |
| C3 | C2 | H21 | 112.2° | 109.4° |
| C3 | C2 | H22 | 112.2° | 109.5° |
| C2 | C3 | C4 | 113.3° | 109.5° |
| C2 | C3 | H31 | 110.8° | 109.4° |
| C2 | C3 | H32 | 110.8° | 109.5° |
| H21 | C2 | H22 | 98.2° | 109.5° |
| C4 | C3 | H31 | 110.9° | 109.5° |
| C4 | C3 | H32 | 110.8° | 109.5° |
| C3 | C4 | C5 | 110.4° | 109.4° |
| C3 | C4 | H41 | 111.8° | 109.5° |
| C3 | C4 | H42 | 111.8° | 109.5° |
| H31 | C3 | H32 | 99.5° | 109.5° |
| C5 | C4 | H41 | 111.9° | 109.4° |
| C5 | C4 | H42 | 111.9° | 109.5° |
| C4 | C5 | H51 | 110.4° | 109.4° |
| C4 | C5 | H52 | 111.8° | 109.5° |
| C4 | C5 | H53 | 111.8° | 109.5° |
| H41 | C4 | H42 | 98.5° | 109.5° |
| H51 | C5 | H52 | 111.9° | 109.5° |
| H51 | C5 | H53 | 111.9° | 109.4° |
| H52 | C5 | H53 | 98.6° | 109.5° |
| O | C | OXT | 122.8° | 119.9° |
| C | OXT | HXT | 116.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 146.1° | 113.8° |
| N | CA | CB | C | 121.5° | 120.0° |
| N | CA | CB | HA | 119.2° | 120.0° |
| N | CA | C | HA | 119.2° | 120.0° |
| N | CA | CB | SG | 56.5° | 178.9° |
| N | CA | CB | HB2 | 178.2° | 58.8° |
| N | CA | CB | HB3 | 68.7° | 61.1° |
| N | CA | C | O | 8.0° | 30.0° |
| N | CA | C | OXT | 170.4° | 150.0° |
| H | N | CA | CB | 94.3° | 59.2° |
| H | N | CA | C | 26.4° | 179.2° |
| H | N | CA | HA | 145.6° | 60.8° |
| H2 | N | CA | CB | 54.7° | 54.5° |
| H2 | N | CA | C | 175.5° | 65.5° |
| H2 | N | CA | HA | 65.3° | 174.5° |
| CB | CA | C | HA | 120.1° | 120.0° |
| CA | CB | SG | HB2 | 125.3° | 120.0° |
| CA | CB | SG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 116.2° | 120.0° |
| CA | CB | SG | SD | 82.4° | 75.4° |
| CB | CA | C | O | 112.6° | 90.0° |
| CB | CA | C | OXT | 68.9° | 90.0° |
| C | CA | CB | SG | 65.0° | 58.9° |
| C | CA | CB | HB2 | 60.3° | 61.1° |
| C | CA | CB | HB3 | 169.8° | 178.9° |
| CA | C | O | OXT | 178.4° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | SG | 175.7° | 61.2° |
| HA | CA | CB | HB2 | 59.0° | 178.8° |
| HA | CA | CB | HB3 | 50.5° | 58.9° |
| HA | CA | C | O | 127.3° | 150.0° |
| HA | CA | C | OXT | 51.2° | 30.0° |
| SG | CB | HB2 | HB3 | 116.2° | 120.0° |
| CB | SG | SD | C1 | 68.8° | 90.0° |
| HB2 | CB | SG | SD | 152.3° | 164.6° |
| HB3 | CB | SG | SD | 42.9° | 44.6° |
| SG | SD | C1 | C2 | 80.6° | 60.0° |
| SG | SD | C1 | H11 | 44.7° | 60.0° |
| SG | SD | C1 | H12 | 154.2° | 180.0° |
| SD | C1 | C2 | H11 | 125.3° | 120.0° |
| SD | C1 | C2 | H12 | 125.3° | 120.0° |
| SD | C1 | H11 | H12 | 116.5° | 120.1° |
| SD | C1 | C2 | C3 | 49.6° | 180.0° |
| SD | C1 | C2 | H21 | 174.9° | 60.0° |
| SD | C1 | C2 | H22 | 75.7° | 60.0° |
| C2 | C1 | H11 | H12 | 116.5° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.1° |
| C1 | C2 | H21 | H22 | 118.0° | 120.0° |
| C1 | C2 | C3 | C4 | 127.5° | 180.0° |
| C1 | C2 | C3 | H31 | 107.2° | 60.0° |
| C1 | C2 | C3 | H32 | 2.3° | 59.9° |
| H11 | C1 | C2 | C3 | 75.7° | 60.1° |
| H11 | C1 | C2 | H21 | 49.6° | 180.0° |
| H11 | C1 | C2 | H22 | 159.0° | 60.0° |
| H12 | C1 | C2 | C3 | 174.9° | 60.0° |
| H12 | C1 | C2 | H21 | 59.8° | 60.0° |
| H12 | C1 | C2 | H22 | 49.6° | 180.0° |
| C3 | C2 | H21 | H22 | 118.1° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 119.9° |
| C2 | C3 | C4 | H32 | 125.2° | 120.1° |
| C2 | C3 | H31 | H32 | 116.6° | 120.0° |
| C2 | C3 | C4 | C5 | 148.7° | 180.0° |
| C2 | C3 | C4 | H41 | 23.4° | 60.1° |
| C2 | C3 | C4 | H42 | 86.0° | 60.0° |
| H21 | C2 | C3 | C4 | 2.3° | 60.1° |
| H21 | C2 | C3 | H31 | 127.5° | 180.0° |
| H21 | C2 | C3 | H32 | 123.0° | 60.0° |
| H22 | C2 | C3 | C4 | 107.2° | 59.9° |
| H22 | C2 | C3 | H31 | 18.1° | 60.0° |
| H22 | C2 | C3 | H32 | 127.5° | 180.0° |
| C4 | C3 | H31 | H32 | 116.7° | 120.1° |
| C3 | C4 | C5 | H41 | 125.3° | 119.9° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.7° | 120.1° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C3 | C4 | C5 | H52 | 54.7° | 60.0° |
| C3 | C4 | C5 | H53 | 54.8° | 60.1° |
| H31 | C3 | C4 | C5 | 86.1° | 60.1° |
| H31 | C3 | C4 | H41 | 148.6° | 180.0° |
| H31 | C3 | C4 | H42 | 39.2° | 59.9° |
| H32 | C3 | C4 | C5 | 23.5° | 59.9° |
| H32 | C3 | C4 | H41 | 101.8° | 59.9° |
| H32 | C3 | C4 | H42 | 148.8° | 179.9° |
| C5 | C4 | H41 | H42 | 117.8° | 120.0° |
| C4 | C5 | H51 | H52 | 125.2° | 120.1° |
| C4 | C5 | H51 | H53 | 125.2° | 119.9° |
| C4 | C5 | H52 | H53 | 117.7° | 120.0° |
| H41 | C4 | C5 | H51 | 54.7° | 60.1° |
| H41 | C4 | C5 | H52 | 180.0° | 60.0° |
| H41 | C4 | C5 | H53 | 70.5° | 180.0° |
| H42 | C4 | C5 | H51 | 54.7° | 60.0° |
| H42 | C4 | C5 | H52 | 70.5° | 180.0° |
| H42 | C4 | C5 | H53 | 179.9° | 59.9° |
| H51 | C5 | H52 | H53 | 117.8° | 120.0° |
| O | C | OXT | HXT | 1.5° | 0.0° |
