Table 3.

Backbone torsion angle ψ for monoclinic crystalline GNNQQNY. X-ray and TALOS data are literature values (4, 30). Y13 is omitted since it has no defined ψ angle, as the C-terminal residue. Multiple minima are listed where applicable and uncertainty ranges are included in parentheses. In these cases the global minimum (‘best fit’) is listed first

residue	X-ray ψ/°	TALOS ψ/°	NCCN |ψ|/°
G7	−162.2	-	162 (154-168)
N8	141.2	131 ±10	151 (137-158)
N9	125.2	136 ± 9	122 (<146)
Q10	112.8	126 ±14	116 (87-136); 18 (<64)
Q11	126.8	142 ±15	117; 23 (<139)
N12	97.7	119 ±13	105; 44 (<137)