SBP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BD | OE1 | sing | 1.42Å | 1.44Å | |
| BD | OE2 | sing | 1.42Å | 1.47Å | |
| BD | OE3 | sing | 1.43Å | 1.44Å | |
| OE1 | CZ1 | sing | 1.43Å | 1.43Å | |
| OE2 | CZ2 | sing | 1.44Å | 1.44Å | |
| OE3 | CZ3 | sing | 1.45Å | 1.44Å | |
| CZ2 | CZ3 | sing | 1.55Å | 1.54Å | |
| CZ2 | HZ22 | sing | 1.09Å | 1.09Å | |
| CZ2 | HZ23 | sing | 1.09Å | 1.09Å | |
| CZ3 | HZ32 | sing | 1.09Å | 1.09Å | |
| CZ3 | HZ33 | sing | 1.09Å | 1.09Å | |
| CZ1 | CH | sing | 1.53Å | 1.51Å | |
| CZ1 | HZ12 | sing | 1.09Å | 1.09Å | |
| CZ1 | HZ13 | sing | 1.09Å | 1.09Å | |
| CH | CQ | sing | 1.53Å | 1.53Å | |
| CH | HH2 | sing | 1.09Å | 1.09Å | |
| CH | HH3 | sing | 1.09Å | 1.09Å | |
| CQ | NI | sing | 1.47Å | 1.46Å | |
| CQ | HQ2 | sing | 1.09Å | 1.09Å | |
| CQ | HQ3 | sing | 1.09Å | 1.09Å | |
| NI | CK | sing | 1.37Å | 1.34Å | |
| NI | HI | sing | 0.97Å | 1.01Å | |
| CK | NL1 | doub | 1.33Å | 1.33Å | |
| CK | NL2 | sing | 1.33Å | 1.34Å | |
| NL1 | HL11 | sing | 0.97Å | 1.01Å | |
| NL1 | HL12 | sing | 0.97Å | 1.01Å | |
| NL2 | HL21 | sing | 0.97Å | 1.01Å | |
| NL2 | HL22 | sing | 0.97Å | 1.01Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | BD | OE2 | 108.9° | 125.5° |
| OE1 | BD | OE3 | 114.6° | 125.4° |
| BD | OE1 | CZ1 | 117.6° | 106.8° |
| OE2 | BD | OE3 | 105.6° | 109.1° |
| BD | OE2 | CZ2 | 109.3° | 107.4° |
| BD | OE3 | CZ3 | 112.9° | 104.8° |
| OE1 | CZ1 | CH | 109.7° | 109.5° |
| OE1 | CZ1 | HZ12 | 110.6° | 109.5° |
| OE1 | CZ1 | HZ13 | 109.1° | 109.5° |
| OE2 | CZ2 | CZ3 | 106.9° | 102.9° |
| OE2 | CZ2 | HZ22 | 111.3° | 110.7° |
| OE2 | CZ2 | HZ23 | 108.0° | 110.7° |
| OE3 | CZ3 | CZ2 | 103.6° | 101.5° |
| OE3 | CZ3 | HZ32 | 111.4° | 111.2° |
| OE3 | CZ3 | HZ33 | 111.7° | 110.9° |
| CZ3 | CZ2 | HZ22 | 111.0° | 110.7° |
| CZ3 | CZ2 | HZ23 | 109.2° | 110.7° |
| CZ2 | CZ3 | HZ32 | 108.5° | 111.0° |
| CZ2 | CZ3 | HZ33 | 111.0° | 111.0° |
| HZ22 | CZ2 | HZ23 | 110.2° | 110.8° |
| HZ32 | CZ3 | HZ33 | 110.3° | 110.9° |
| CH | CZ1 | HZ12 | 108.1° | 109.5° |
| CH | CZ1 | HZ13 | 109.7° | 109.5° |
| CZ1 | CH | CQ | 111.0° | 109.5° |
| CZ1 | CH | HH2 | 108.6° | 109.5° |
| CZ1 | CH | HH3 | 108.8° | 109.5° |
| HZ12 | CZ1 | HZ13 | 109.8° | 109.4° |
| CQ | CH | HH2 | 109.1° | 109.5° |
| CQ | CH | HH3 | 111.3° | 109.5° |
| CH | CQ | NI | 108.2° | 109.5° |
| CH | CQ | HQ2 | 109.3° | 109.5° |
| CH | CQ | HQ3 | 111.0° | 109.5° |
| HH2 | CH | HH3 | 108.0° | 109.4° |
| NI | CQ | HQ2 | 109.8° | 109.5° |
| NI | CQ | HQ3 | 108.9° | 109.4° |
| CQ | NI | CK | 125.1° | 120.0° |
| CQ | NI | HI | 116.1° | 120.0° |
| HQ2 | CQ | HQ3 | 109.7° | 109.4° |
| CK | NI | HI | 118.7° | 120.1° |
| NI | CK | NL1 | 120.4° | 119.9° |
| NI | CK | NL2 | 119.8° | 120.1° |
| NL1 | CK | NL2 | 119.8° | 120.0° |
| CK | NL1 | HL11 | 119.0° | 120.0° |
| CK | NL1 | HL12 | 120.6° | 120.1° |
| CK | NL2 | HL21 | 121.2° | 120.0° |
| CK | NL2 | HL22 | 118.2° | 120.1° |
| HL11 | NL1 | HL12 | 120.4° | 120.0° |
| HL21 | NL2 | HL22 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | BD | OE2 | OE3 | 123.6° | 179.8° |
| OE1 | BD | OE2 | CZ2 | 134.8° | 178.8° |
| OE1 | BD | OE3 | CZ3 | 124.3° | 155.2° |
| BD | OE1 | CZ1 | CH | 179.8° | 180.0° |
| BD | OE1 | CZ1 | HZ12 | 61.1° | 60.0° |
| BD | OE1 | CZ1 | HZ13 | 59.7° | 59.9° |
| OE2 | BD | OE1 | CZ1 | 153.9° | 180.0° |
| OE2 | BD | OE3 | CZ3 | 4.4° | 25.0° |
| BD | OE2 | CZ2 | CZ3 | 13.5° | 20.9° |
| BD | OE2 | CZ2 | HZ22 | 134.9° | 139.3° |
| BD | OE2 | CZ2 | HZ23 | 103.9° | 97.5° |
| OE3 | BD | OE1 | CZ1 | 88.1° | 0.3° |
| OE3 | BD | OE2 | CZ2 | 11.3° | 1.5° |
| BD | OE3 | CZ3 | CZ2 | 3.5° | 36.4° |
| BD | OE3 | CZ3 | HZ32 | 113.0° | 81.7° |
| BD | OE3 | CZ3 | HZ33 | 123.1° | 154.3° |
| OE1 | CZ1 | CH | HZ12 | 120.6° | 120.0° |
| OE1 | CZ1 | CH | HZ13 | 119.7° | 120.1° |
| OE1 | CZ1 | HZ12 | HZ13 | 120.4° | 120.0° |
| OE1 | CZ1 | CH | CQ | 173.4° | 180.0° |
| OE1 | CZ1 | CH | HH2 | 53.6° | 60.0° |
| OE1 | CZ1 | CH | HH3 | 63.8° | 59.9° |
| OE2 | CZ2 | CZ3 | OE3 | 10.3° | 35.3° |
| OE2 | CZ2 | CZ3 | HZ22 | 121.5° | 118.3° |
| OE2 | CZ2 | CZ3 | HZ23 | 116.7° | 118.4° |
| OE2 | CZ2 | HZ22 | HZ23 | 119.8° | 123.3° |
| OE2 | CZ2 | CZ3 | HZ32 | 108.2° | 83.0° |
| OE2 | CZ2 | CZ3 | HZ33 | 130.3° | 153.1° |
| OE3 | CZ3 | CZ2 | HZ32 | 118.6° | 118.2° |
| OE3 | CZ3 | CZ2 | HZ33 | 120.0° | 117.9° |
| OE3 | CZ3 | CZ2 | HZ22 | 131.9° | 153.6° |
| OE3 | CZ3 | CZ2 | HZ23 | 106.4° | 83.1° |
| OE3 | CZ3 | HZ32 | HZ33 | 124.7° | 123.9° |
| CZ3 | CZ2 | HZ22 | HZ23 | 121.2° | 123.2° |
| CZ2 | CZ3 | HZ32 | HZ33 | 121.8° | 124.0° |
| HZ22 | CZ2 | CZ3 | HZ32 | 13.3° | 35.4° |
| HZ22 | CZ2 | CZ3 | HZ33 | 108.1° | 88.5° |
| HZ23 | CZ2 | CZ3 | HZ32 | 135.1° | 158.6° |
| HZ23 | CZ2 | CZ3 | HZ33 | 13.7° | 34.7° |
| CH | CZ1 | HZ12 | HZ13 | 119.6° | 120.0° |
| CZ1 | CH | CQ | HH2 | 119.6° | 120.0° |
| CZ1 | CH | CQ | HH3 | 121.3° | 120.0° |
| CZ1 | CH | HH2 | HH3 | 117.9° | 120.0° |
| CZ1 | CH | CQ | NI | 179.1° | 180.0° |
| CZ1 | CH | CQ | HQ2 | 61.4° | 60.0° |
| CZ1 | CH | CQ | HQ3 | 59.8° | 60.0° |
| HZ12 | CZ1 | CH | CQ | 52.8° | 60.0° |
| HZ12 | CZ1 | CH | HH2 | 67.1° | 180.0° |
| HZ12 | CZ1 | CH | HH3 | 175.6° | 60.1° |
| HZ13 | CZ1 | CH | CQ | 66.8° | 60.0° |
| HZ13 | CZ1 | CH | HH2 | 173.3° | 60.1° |
| HZ13 | CZ1 | CH | HH3 | 55.9° | 180.0° |
| CQ | CH | HH2 | HH3 | 121.0° | 120.0° |
| CH | CQ | NI | HQ2 | 119.2° | 120.0° |
| CH | CQ | NI | HQ3 | 120.7° | 120.0° |
| CH | CQ | HQ2 | HQ3 | 121.9° | 120.0° |
| CH | CQ | NI | CK | 174.4° | 180.0° |
| CH | CQ | NI | HI | 4.6° | 0.1° |
| HH2 | CH | CQ | NI | 59.5° | 60.0° |
| HH2 | CH | CQ | HQ2 | 179.0° | 180.0° |
| HH2 | CH | CQ | HQ3 | 59.9° | 60.0° |
| HH3 | CH | CQ | NI | 59.5° | 60.0° |
| HH3 | CH | CQ | HQ2 | 59.9° | 60.1° |
| HH3 | CH | CQ | HQ3 | 178.9° | 180.0° |
| NI | CQ | HQ2 | HQ3 | 119.6° | 120.0° |
| CQ | NI | CK | HI | 178.9° | 179.9° |
| CQ | NI | CK | NL1 | 1.0° | 180.0° |
| CQ | NI | CK | NL2 | 179.0° | 0.1° |
| HQ2 | CQ | NI | CK | 55.2° | 60.0° |
| HQ2 | CQ | NI | HI | 123.8° | 120.1° |
| HQ3 | CQ | NI | CK | 64.9° | 60.0° |
| HQ3 | CQ | NI | HI | 116.1° | 120.0° |
| NI | CK | NL1 | NL2 | 178.0° | 179.9° |
| NI | CK | NL1 | HL11 | 6.2° | 179.9° |
| NI | CK | NL1 | HL12 | 174.1° | 0.0° |
| NI | CK | NL2 | HL21 | 2.7° | 0.1° |
| NI | CK | NL2 | HL22 | 170.8° | 179.7° |
| HI | NI | CK | NL1 | 179.9° | 0.1° |
| HI | NI | CK | NL2 | 2.1° | 180.0° |
| CK | NL1 | HL11 | HL12 | 179.7° | 180.0° |
| NL1 | CK | NL2 | HL21 | 179.3° | 180.0° |
| NL1 | CK | NL2 | HL22 | 7.2° | 0.2° |
| NL2 | CK | NL1 | HL11 | 175.8° | 0.0° |
| NL2 | CK | NL1 | HL12 | 3.9° | 180.0° |
| CK | NL2 | HL21 | HL22 | 173.4° | 179.8° |
