Table 3: Calculated bond angles (in degrees) for the peptide planes of the dipeptides; the gas phase values are given in brackets.

DipeptidesC3–C4–O11C3–C4–N6O11–C4–N6C4–N6–C7C4–N6–H10H10–N6–C7

Sec-Val121.2 (121.4)114.8 (114.6)123.9 (124.0)123.5 (122.6)115.3 (115.9)121.1 (121.0)
Sec-Leu121.4 (121.4)115.4 (114.8)123.2 (123.8)122.6 (122.9)116.3 (116.1)121.0 (120.6)
Sec-Asp121.6 (122.4)114.6 (113.9)123.8 (123.6)123.4 (121.4)115.6 (114.9)120.9 (119.9)
Sec-Ser121.5 (121.7)114.4 (114.3)124.1 (124.0)123.6 (122.7)115.7 (116.8)120.7 (120.4)
Sec-Gln121.8 (121.6)115.2 (114.9)122.9 (123.5)122.5 (122.2)116.5 (116.6)121.0 (121.0)
Sec-His121.6 (121.8)114.3 (114.2)124.1 (124.0)123.8 (122.8)115.6 (116.6)120.5 (120.4)
Sec-Pyl121.3 (121.4)115.1 (114.5)123.5 (124.1)123.2 (123.0)115.9 (116.3)120.9 (120.6)

Average121.5 (121.7)114.8 (114.5)123.6 (123.9)123.2 (122.5)115.8 (116.2)120.9 (120.6)
MDa0.3 (0.7)0.6 (0.6)0.7 (0.4)0.7 (1.1)0.7 (1.3)0.4 (0.7)

Maximum deviation from average values.