Protein	xmean	ymean	zmean	sx	sy	sz

S2	24.8	53.4	14.7	8.0	7.8	10.0
S3	0.0	0.0	0.0	0.0	0.0	0.0
S4	58.1	0.0	0.0	2.8	0.0	0.0
S5	53.0	39.3	0.0	5.0	3.4	0.0
S6	58.7	64.3	93.9	14.5	11.8	6.4
S7	-28.6	28.7	67.4	9.8	9.0	9.6
S8	70.9	50.9	21.6	7.6	6.1	5.1
S9	-22.1	26.6	39.5	7.3	6.9	8.5
S10	-27.3	-5.4	19.4	4.3	7.9	7.6
S11	15.5	85.8	62.4	13.2	7.3	10.6
S12	74.7	-1.6	36.7	5.3	7.4	5.2
S13	-71.4	51.1	42.6	9.0	12.2	17.7
S14	-60.2	24.1	6.0	6.4	13.8	12.8
S15	68.0	82.3	28.0	13.6	5.7	9.2
S16	42.5	9.5	39.4	5.9	9.5	9.3
S17	97.8	40.7	45.8	10.2	10.8	6.7
S18	51.2	36.3	78.5	17.1	11.0	5.4
S19	-41.7	54.7	1.5	9.9	11.4	14.1
S20	6.7	-20.7	33.0	4.6	5.4	8.1
S21	27.9	41.8	55.6	11.0	10.0	7.1

Above positions are from neutron diffraction data reported by Capel et al. (1987).

Changes used in our calculation:
S19	-27.0	30.6	23.8	9.9	11.4	14.1

Refined positions inferred indirectly from our calculation:
S20	39.0	5.0	44.2