IEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CG' | CB | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG' | CG | sing | 1.53Å | 1.52Å | |
| CG' | HG' | sing | 1.09Å | 1.10Å | |
| CG' | HG'A | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NE | CD | sing | 1.47Å | 1.46Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CZ | NE | sing | 1.37Å | 1.33Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CH2 | CZ | sing | 1.51Å | 1.50Å | |
| NH1 | CZ | doub | 1.29Å | 1.32Å | |
| NH1 | HNH1 | sing | 0.97Å | 1.00Å | |
| CH2 | HH2 | sing | 1.09Å | 1.10Å | |
| CH2 | HH2A | sing | 1.09Å | 1.10Å | |
| CH2 | HH2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.6° | 120.0° |
| O | C | OXT | 121.0° | 120.0° |
| CA | C | OXT | 120.4° | 120.0° |
| C | CA | N | 108.2° | 109.5° |
| C | CA | CB | 112.6° | 109.5° |
| C | CA | HA | 108.3° | 109.5° |
| C | OXT | HOXT | 109.5° | 117.0° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | HA | 111.2° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| CB | CA | HA | 106.7° | 109.5° |
| CA | CB | CG' | 109.9° | 109.5° |
| CA | CB | HB | 109.3° | 109.4° |
| CA | CB | HBA | 109.2° | 109.5° |
| HN | N | HNA | 109.4° | 111.1° |
| CG' | CB | HB | 109.3° | 109.5° |
| CG' | CB | HBA | 109.2° | 109.5° |
| CB | CG' | CG | 113.0° | 109.5° |
| CB | CG' | HG' | 108.3° | 109.5° |
| CB | CG' | HG'A | 107.5° | 109.4° |
| HB | CB | HBA | 109.8° | 109.4° |
| CG | CG' | HG' | 108.3° | 109.5° |
| CG | CG' | HG'A | 107.5° | 109.4° |
| CG' | CG | CD | 109.7° | 109.5° |
| CG' | CG | HG | 109.4° | 109.5° |
| CG' | CG | HGA | 109.3° | 109.4° |
| HG' | CG' | HG'A | 112.3° | 109.5° |
| CD | CG | HG | 109.4° | 109.5° |
| CD | CG | HGA | 109.3° | 109.4° |
| CG | CD | NE | 106.7° | 109.5° |
| CG | CD | HD | 110.4° | 109.5° |
| CG | CD | HDA | 111.0° | 109.5° |
| HG | CG | HGA | 109.7° | 109.5° |
| NE | CD | HD | 110.4° | 109.4° |
| NE | CD | HDA | 111.0° | 109.5° |
| CD | NE | CZ | 128.9° | 120.0° |
| CD | NE | HNE | 115.6° | 120.0° |
| HD | CD | HDA | 107.4° | 109.5° |
| CZ | NE | HNE | 115.5° | 120.0° |
| NE | CZ | CH2 | 118.9° | 120.0° |
| NE | CZ | NH1 | 123.0° | 120.0° |
| CH2 | CZ | NH1 | 118.1° | 120.0° |
| CZ | CH2 | HH2 | 109.5° | 109.5° |
| CZ | CH2 | HH2A | 109.5° | 109.4° |
| CZ | CH2 | HH2B | 109.5° | 109.4° |
| CZ | NH1 | HNH1 | 108.3° | 120.0° |
| HH2 | CH2 | HH2A | 109.5° | 109.5° |
| HH2 | CH2 | HH2B | 109.5° | 109.5° |
| HH2A | CH2 | HH2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 178.4° | 179.7° |
| O | C | OXT | HOXT | 0.0° | 0.1° |
| O | C | CA | N | 12.3° | 20.0° |
| O | C | CA | CB | 133.8° | 100.0° |
| O | C | CA | HA | 108.4° | 140.0° |
| CA | C | OXT | HOXT | 178.4° | 179.8° |
| C | CA | N | CB | 123.3° | 120.0° |
| C | CA | N | HA | 118.8° | 120.0° |
| C | CA | CB | HA | 118.7° | 120.0° |
| C | CA | N | HN | 101.2° | 60.0° |
| C | CA | N | HNA | 18.8° | 176.0° |
| C | CA | CB | CG' | 161.6° | 175.0° |
| C | CA | CB | HB | 41.6° | 65.0° |
| C | CA | CB | HBA | 78.6° | 55.0° |
| OXT | C | CA | N | 169.3° | 159.7° |
| OXT | C | CA | CB | 47.7° | 80.3° |
| OXT | C | CA | HA | 70.0° | 39.7° |
| N | CA | CB | HA | 120.7° | 120.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | CG' | 40.9° | 65.0° |
| N | CA | CB | HB | 79.1° | 55.0° |
| N | CA | CB | HBA | 160.7° | 175.0° |
| CB | CA | N | HN | 135.5° | 60.0° |
| CB | CA | N | HNA | 104.5° | 64.0° |
| CA | CB | CG' | HB | 120.0° | 120.0° |
| CA | CB | CG' | HBA | 119.8° | 120.0° |
| CA | CB | HB | HBA | 119.8° | 120.0° |
| CA | CB | CG' | CG | 148.7° | 179.9° |
| CA | CB | CG' | HG' | 28.7° | 60.0° |
| CA | CB | CG' | HG'A | 92.8° | 60.0° |
| HA | CA | N | HN | 17.6° | 180.0° |
| HA | CA | N | HNA | 137.6° | 56.0° |
| HA | CA | CB | CG' | 79.7° | 55.0° |
| HA | CA | CB | HB | 160.3° | 175.0° |
| HA | CA | CB | HBA | 40.1° | 65.0° |
| CG' | CB | HB | HBA | 119.8° | 120.0° |
| CB | CG' | CG | HG' | 120.0° | 120.0° |
| CB | CG' | CG | HG'A | 118.4° | 119.9° |
| CB | CG' | HG' | HG'A | 118.5° | 120.0° |
| CB | CG' | CG | CD | 124.9° | NaN° |
| CB | CG' | CG | HG | 115.1° | 60.0° |
| CB | CG' | CG | HGA | 5.0° | 60.1° |
| HB | CB | CG' | CG | 91.3° | 60.0° |
| HB | CB | CG' | HG' | 148.7° | 180.0° |
| HB | CB | CG' | HG'A | 27.2° | 60.0° |
| HBA | CB | CG' | CG | 28.9° | 60.1° |
| HBA | CB | CG' | HG' | 91.1° | 60.0° |
| HBA | CB | CG' | HG'A | 147.4° | 180.0° |
| CG | CG' | HG' | HG'A | 118.5° | 120.0° |
| CG' | CG | CD | HG | 120.0° | 120.1° |
| CG' | CG | CD | HGA | 119.9° | 119.9° |
| CG' | CG | HG | HGA | 119.9° | 120.0° |
| CG' | CG | CD | NE | 93.6° | 179.9° |
| CG' | CG | CD | HD | 146.4° | 60.0° |
| CG' | CG | CD | HDA | 27.4° | 60.0° |
| HG' | CG' | CG | CD | 4.9° | 60.0° |
| HG' | CG' | CG | HG | 124.9° | 180.0° |
| HG' | CG' | CG | HGA | 115.0° | 60.0° |
| HG'A | CG' | CG | CD | 116.7° | 60.1° |
| HG'A | CG' | CG | HG | 3.3° | 59.9° |
| HG'A | CG' | CG | HGA | 123.4° | 180.0° |
| CD | CG | HG | HGA | 119.9° | 120.0° |
| CG | CD | NE | HD | 120.0° | 120.0° |
| CG | CD | NE | HDA | 121.1° | 120.0° |
| CG | CD | HD | HDA | 121.1° | 120.0° |
| CG | CD | NE | CZ | 90.6° | 179.9° |
| CG | CD | NE | HNE | 89.4° | 0.1° |
| HG | CG | CD | NE | 26.4° | 60.0° |
| HG | CG | CD | HD | 93.6° | 180.0° |
| HG | CG | CD | HDA | 147.4° | 60.0° |
| HGA | CG | CD | NE | 146.5° | 60.0° |
| HGA | CG | CD | HD | 26.5° | 60.0° |
| HGA | CG | CD | HDA | 92.5° | 180.0° |
| NE | CD | HD | HDA | 121.1° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 179.9° |
| CD | NE | CZ | CH2 | 179.7° | 180.0° |
| CD | NE | CZ | NH1 | 0.6° | 0.1° |
| HD | CD | NE | CZ | 149.4° | 60.0° |
| HD | CD | NE | HNE | 30.6° | 120.1° |
| HDA | CD | NE | CZ | 30.4° | 59.9° |
| HDA | CD | NE | HNE | 149.6° | 119.9° |
| NE | CZ | CH2 | NH1 | 179.7° | 179.9° |
| NE | CZ | NH1 | HNH1 | 0.2° | 0.1° |
| NE | CZ | CH2 | HH2 | 125.8° | 89.9° |
| NE | CZ | CH2 | HH2A | 114.2° | 150.0° |
| NE | CZ | CH2 | HH2B | 5.8° | 30.1° |
| HNE | NE | CZ | CH2 | 0.3° | 0.1° |
| HNE | NE | CZ | NH1 | 179.4° | 180.0° |
| CH2 | CZ | NH1 | HNH1 | 179.9° | 180.0° |
| CZ | CH2 | HH2 | HH2A | 120.0° | 120.0° |
| CZ | CH2 | HH2 | HH2B | 120.0° | 119.9° |
| CZ | CH2 | HH2A | HH2B | 120.0° | 119.9° |
| NH1 | CZ | CH2 | HH2 | 54.5° | 90.0° |
| NH1 | CZ | CH2 | HH2A | 65.5° | 30.1° |
| NH1 | CZ | CH2 | HH2B | 174.5° | 150.0° |
| HH2 | CH2 | HH2A | HH2B | 120.0° | 120.1° |
