NSU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.21Å | |
| C | C03 | sing | 1.51Å | 1.53Å | |
| C03 | N04 | sing | 1.46Å | 1.46Å | |
| C10 | O09 | sing | 1.44Å | 1.42Å | |
| C10 | C05 | sing | 1.55Å | 1.50Å | |
| N04 | C05 | sing | 1.47Å | 1.52Å | |
| N04 | C11 | sing | 1.35Å | 1.41Å | |
| O09 | C08 | sing | 1.44Å | 1.41Å | |
| C05 | CA | sing | 1.54Å | 1.57Å | |
| CA | C08 | sing | 1.55Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| O22 | C11 | doub | 1.21Å | 1.21Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| O21 | C14 | doub | 1.22Å | 1.23Å | |
| C12 | N13 | sing | 1.46Å | 1.49Å | |
| C14 | N13 | sing | 1.35Å | 1.39Å | |
| C14 | N15 | sing | 1.35Å | 1.41Å | |
| N13 | C18 | sing | 1.37Å | 1.39Å | |
| N15 | C16 | sing | 1.35Å | 1.41Å | |
| C18 | C17 | doub | 1.35Å | 1.34Å | |
| C16 | C17 | sing | 1.42Å | 1.45Å | |
| C16 | O20 | doub | 1.22Å | 1.20Å | |
| C17 | C19 | sing | 1.51Å | 1.48Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.38Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C03 | 116.6° | 120.0° |
| O | C | OXT | 117.5° | 120.0° |
| C | C03 | N04 | 116.0° | 109.5° |
| C | C03 | H031 | 107.8° | 109.5° |
| C | C03 | H032 | 107.8° | 109.5° |
| C03 | C | OXT | 107.5° | 120.0° |
| C03 | N04 | C05 | 113.2° | 120.0° |
| C03 | N04 | C11 | 126.6° | 120.0° |
| N04 | C03 | H031 | 107.8° | 109.5° |
| N04 | C03 | H032 | 107.8° | 109.5° |
| O09 | C10 | C05 | 105.1° | 104.8° |
| C10 | O09 | C08 | 111.6° | 105.3° |
| O09 | C10 | H102 | 110.6° | 110.4° |
| O09 | C10 | H101 | 110.5° | 110.4° |
| C10 | C05 | N04 | 119.8° | 110.5° |
| C10 | C05 | CA | 102.4° | 104.1° |
| C05 | C10 | H102 | 110.5° | 110.3° |
| C05 | C10 | H101 | 110.6° | 110.4° |
| C10 | C05 | H051 | 106.6° | 110.5° |
| C05 | N04 | C11 | 119.9° | 120.0° |
| N04 | C05 | CA | 114.9° | 110.5° |
| N04 | C05 | H051 | 106.4° | 110.5° |
| N04 | C11 | O22 | 121.1° | 120.0° |
| N04 | C11 | C12 | 122.0° | 120.0° |
| O09 | C08 | CA | 106.7° | 104.8° |
| O09 | C08 | H082 | 110.1° | 110.3° |
| O09 | C08 | H081 | 110.1° | 110.5° |
| C05 | CA | C08 | 99.9° | 104.1° |
| C05 | CA | N | 109.2° | 110.5° |
| CA | C05 | H051 | 105.8° | 110.5° |
| C05 | CA | HA | 110.2° | 110.5° |
| C08 | CA | N | 115.1° | 110.5° |
| C08 | CA | HA | 110.3° | 110.5° |
| CA | C08 | H082 | 110.2° | 110.3° |
| CA | C08 | H081 | 110.2° | 110.4° |
| N | CA | HA | 111.6° | 110.6° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| O22 | C11 | C12 | 116.9° | 120.0° |
| C11 | C12 | N13 | 113.1° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.5° |
| C11 | C12 | H122 | 108.6° | 109.5° |
| O21 | C14 | N13 | 119.7° | 119.5° |
| O21 | C14 | N15 | 123.3° | 119.6° |
| C12 | N13 | C14 | 116.7° | 119.7° |
| C12 | N13 | C18 | 121.9° | 119.7° |
| N13 | C12 | H121 | 108.6° | 109.4° |
| N13 | C12 | H122 | 108.6° | 109.5° |
| N13 | C14 | N15 | 117.0° | 120.9° |
| C14 | N13 | C18 | 121.4° | 120.6° |
| C14 | N15 | C16 | 122.6° | 120.3° |
| C14 | N15 | H151 | 118.7° | 119.9° |
| N13 | C18 | C17 | 122.0° | 119.7° |
| N13 | C18 | H181 | 119.0° | 120.1° |
| N15 | C16 | C17 | 116.7° | 119.4° |
| N15 | C16 | O20 | 117.7° | 120.3° |
| C16 | N15 | H151 | 118.7° | 119.8° |
| C18 | C17 | C16 | 120.2° | 119.1° |
| C18 | C17 | C19 | 124.5° | 120.4° |
| C17 | C18 | H181 | 119.0° | 120.2° |
| C17 | C16 | O20 | 125.6° | 120.3° |
| C16 | C17 | C19 | 115.1° | 120.4° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 110.4° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 110.4° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C03 | OXT | 134.4° | 179.9° |
| O | C | C03 | N04 | 179.0° | 0.1° |
| O | C | C03 | H031 | 60.1° | 120.0° |
| O | C | C03 | H032 | 58.1° | 120.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C03 | N04 | H031 | 120.9° | 120.0° |
| C | C03 | N04 | H032 | 120.9° | 120.0° |
| C | C03 | N04 | C05 | 127.5° | 90.0° |
| C | C03 | N04 | C11 | 58.6° | 90.0° |
| C | C03 | H031 | H032 | 117.1° | 119.9° |
| C03 | C | OXT | HXT | 133.9° | 180.0° |
| C03 | N04 | C05 | C10 | 62.2° | 121.5° |
| C03 | N04 | C05 | C11 | 174.4° | 180.0° |
| C03 | N04 | C05 | CA | 60.4° | 123.9° |
| C03 | N04 | C11 | O22 | 7.4° | 180.0° |
| C03 | N04 | C11 | C12 | 175.5° | 0.0° |
| N04 | C03 | H031 | H032 | 117.0° | 120.0° |
| C03 | N04 | C05 | H051 | 177.1° | 1.2° |
| N04 | C03 | C | OXT | 46.6° | 180.0° |
| O09 | C10 | C05 | H102 | 119.3° | 118.8° |
| O09 | C10 | C05 | H101 | 119.3° | 118.8° |
| O09 | C10 | C05 | N04 | 164.0° | 142.7° |
| O09 | C10 | C05 | CA | 35.6° | 24.0° |
| C10 | O09 | C08 | CA | 3.1° | 40.5° |
| O09 | C10 | H102 | H101 | 122.0° | 122.3° |
| O09 | C10 | C05 | H051 | 75.3° | 94.7° |
| C10 | O09 | C08 | H082 | 116.5° | 78.3° |
| C10 | O09 | C08 | H081 | 122.6° | 159.4° |
| C10 | C05 | N04 | CA | 122.6° | 114.7° |
| C10 | C05 | N04 | H051 | 120.7° | 122.7° |
| C10 | C05 | N04 | C11 | 123.5° | 58.6° |
| C05 | C10 | O09 | C08 | 21.0° | 40.5° |
| C10 | C05 | CA | H051 | 111.5° | 118.7° |
| C10 | C05 | CA | C08 | 35.6° | 0.0° |
| C10 | C05 | CA | N | 156.7° | 118.6° |
| C05 | C10 | H102 | H101 | 122.0° | 122.3° |
| C10 | C05 | CA | HA | 80.4° | 118.7° |
| N04 | C05 | CA | H051 | 117.1° | 122.7° |
| N04 | C05 | CA | C08 | 167.1° | 118.7° |
| N04 | C05 | CA | N | 71.8° | 122.7° |
| C05 | N04 | C11 | O22 | 179.1° | 0.0° |
| C05 | N04 | C11 | C12 | 2.0° | 180.0° |
| N04 | C05 | C10 | H102 | 44.7° | 98.5° |
| N04 | C05 | C10 | H101 | 76.7° | 23.8° |
| C05 | N04 | C03 | H031 | 6.5° | 30.0° |
| C05 | N04 | C03 | H032 | 111.6° | 150.0° |
| N04 | C05 | CA | HA | 51.1° | 0.0° |
| C11 | N04 | C05 | CA | 114.0° | 56.1° |
| N04 | C11 | O22 | C12 | 177.3° | 180.0° |
| N04 | C11 | C12 | N13 | 176.3° | 180.0° |
| C11 | N04 | C03 | H031 | 179.5° | 150.0° |
| C11 | N04 | C03 | H032 | 62.3° | 30.0° |
| C11 | N04 | C05 | H051 | 2.8° | 178.8° |
| N04 | C11 | C12 | H121 | 55.8° | 60.0° |
| N04 | C11 | C12 | H122 | 63.2° | 59.9° |
| O09 | C08 | CA | C05 | 24.3° | 24.0° |
| O09 | C08 | CA | H082 | 119.6° | 118.8° |
| O09 | C08 | CA | H081 | 119.6° | 118.9° |
| O09 | C08 | CA | N | 141.0° | 94.7° |
| C08 | O09 | C10 | H102 | 98.3° | 159.3° |
| C08 | O09 | C10 | H101 | 140.3° | 78.3° |
| O09 | C08 | CA | HA | 91.7° | 142.6° |
| O09 | C08 | H082 | H081 | 121.2° | 122.4° |
| C05 | CA | C08 | N | 116.7° | 118.6° |
| C05 | CA | C08 | HA | 116.0° | 118.7° |
| C05 | CA | N | HA | 122.0° | 122.7° |
| CA | C05 | C10 | H102 | 83.8° | 142.8° |
| CA | C05 | C10 | H101 | 154.9° | 94.9° |
| C05 | CA | C08 | H082 | 95.3° | 94.8° |
| C05 | CA | C08 | H081 | 143.8° | 142.9° |
| C05 | CA | N | H | 180.0° | 180.0° |
| C05 | CA | N | H2 | 60.0° | 56.1° |
| C08 | CA | N | HA | 126.7° | 122.7° |
| C08 | CA | C05 | H051 | 75.8° | 118.7° |
| CA | C08 | H082 | H081 | 121.3° | 122.3° |
| C08 | CA | N | H | 68.7° | 65.4° |
| C08 | CA | N | H2 | 171.3° | 170.8° |
| N | CA | C05 | H051 | 45.3° | 0.1° |
| N | CA | C08 | H082 | 21.4° | 146.6° |
| N | CA | C08 | H081 | 99.5° | 24.3° |
| CA | N | H | H2 | 120.0° | 123.9° |
| O22 | C11 | C12 | N13 | 1.0° | 0.1° |
| O22 | C11 | C12 | H121 | 121.5° | 120.0° |
| O22 | C11 | C12 | H122 | 119.6° | 120.0° |
| C11 | C12 | N13 | H121 | 120.5° | 120.0° |
| C11 | C12 | N13 | H122 | 120.5° | 120.1° |
| C11 | C12 | N13 | C14 | 89.2° | 90.0° |
| C11 | C12 | N13 | C18 | 91.5° | 90.1° |
| C11 | C12 | H121 | H122 | 118.4° | 120.0° |
| O21 | C14 | N13 | C12 | 1.7° | 0.3° |
| O21 | C14 | N13 | N15 | 178.5° | 179.7° |
| O21 | C14 | N13 | C18 | 178.9° | 179.8° |
| O21 | C14 | N15 | C16 | 178.5° | 179.7° |
| O21 | C14 | N15 | H151 | 1.5° | 0.3° |
| C12 | N13 | C14 | C18 | 179.3° | 179.9° |
| C12 | N13 | C14 | N15 | 176.8° | 180.0° |
| C12 | N13 | C18 | C17 | 179.4° | 180.0° |
| N13 | C12 | H121 | H122 | 118.4° | 120.0° |
| C12 | N13 | C18 | H181 | 0.7° | 0.1° |
| N13 | C14 | N15 | C16 | 3.1° | 0.0° |
| C14 | N13 | C18 | C17 | 0.1° | 0.1° |
| C14 | N13 | C12 | H121 | 31.3° | 30.0° |
| C14 | N13 | C12 | H122 | 150.3° | 149.9° |
| C14 | N13 | C18 | H181 | 179.9° | 180.0° |
| N13 | C14 | N15 | H151 | 176.9° | 180.0° |
| N15 | C14 | N13 | C18 | 2.6° | 0.1° |
| C14 | N15 | C16 | H151 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 1.0° | 0.0° |
| C14 | N15 | C16 | O20 | 179.7° | 179.9° |
| N13 | C18 | C17 | H181 | 180.0° | 179.9° |
| N13 | C18 | C17 | C16 | 2.3° | 0.1° |
| N13 | C18 | C17 | C19 | 177.7° | 179.9° |
| C18 | N13 | C12 | H121 | 148.0° | 149.9° |
| C18 | N13 | C12 | H122 | 29.0° | 30.0° |
| N15 | C16 | C17 | C18 | 1.7° | 0.0° |
| N15 | C16 | C17 | O20 | 179.2° | 179.9° |
| N15 | C16 | C17 | C19 | 177.5° | 180.0° |
| C18 | C17 | C16 | C19 | 175.8° | 180.0° |
| C18 | C17 | C16 | O20 | 177.5° | 180.0° |
| C18 | C17 | C19 | H192 | 180.0° | 180.0° |
| C18 | C17 | C19 | H193 | 60.0° | 60.0° |
| C18 | C17 | C19 | H191 | 60.0° | 60.1° |
| C16 | C17 | C18 | H181 | 177.7° | 180.0° |
| C16 | C17 | C19 | H192 | 4.4° | 0.0° |
| C16 | C17 | C19 | H193 | 115.6° | 120.0° |
| C16 | C17 | C19 | H191 | 124.4° | 120.0° |
| C17 | C16 | N15 | H151 | 179.0° | 180.0° |
| O20 | C16 | C17 | C19 | 1.7° | 0.1° |
| O20 | C16 | N15 | H151 | 0.3° | 0.1° |
| C19 | C17 | C18 | H181 | 2.3° | 0.1° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H191 | 120.0° | 120.0° |
| C17 | C19 | H193 | H191 | 120.0° | 120.0° |
| H102 | C10 | C05 | H051 | 165.3° | 24.1° |
| H101 | C10 | C05 | H051 | 43.9° | 146.5° |
| H031 | C03 | C | OXT | 74.3° | 59.9° |
| H032 | C03 | C | OXT | 167.5° | 60.0° |
| H051 | C05 | CA | HA | 168.1° | 122.7° |
| HA | CA | C08 | H082 | 148.7° | 23.9° |
| HA | CA | C08 | H081 | 27.9° | 98.4° |
| HA | CA | N | H | 58.0° | 57.3° |
| HA | CA | N | H2 | 62.0° | 66.6° |
| H192 | C19 | H193 | H191 | 120.0° | 120.0° |
