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- PDB-8u7j: Crystal Structure of Staphylococcus aureus PLP synthase complex -

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Open data

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Basic information

Entry

Database: PDB / ID: 8u7j

Title

Crystal Structure of Staphylococcus aureus PLP synthase complex

Components

Pyridoxal 5'-phosphate synthase subunit PdxS
Pyridoxal 5'-phosphate synthase subunit PdxT

Keywords

BIOSYNTHETIC PROTEIN / PLP Synthase complex / Pdx1-Pdx2 / Staphylococcus aureus

Function / homology

Function and homology information

pyridoxal 5'-phosphate synthase (glutamine hydrolysing) / pyridoxal 5'-phosphate synthase (glutamine hydrolysing) activity / pyridoxal phosphate biosynthetic process / L-glutamine catabolic process / glutaminase / glutaminase activity
Similarity search - Function

Biological species

Staphylococcus aureus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.02 Å

Authors

Barra, A.L.C. / Brognaro, H. / Betzel, C. / Nascimento, A.S.

Funding support

Brazil,

Germany, 9items

Organization	Grant number	Country
Sao Paulo Research Foundation (FAPESP)	2015/26722-8	Brazil
Sao Paulo Research Foundation (FAPESP)	2015/13684-0	Brazil
Sao Paulo Research Foundation (FAPESP)	2020/03983-9	Brazil
Sao Paulo Research Foundation (FAPESP)	2019/26428-3	Brazil
Sao Paulo Research Foundation (FAPESP)	2019/20219-3	Brazil
Sao Paulo Research Foundation (FAPESP)	2019/00899-0	Brazil
Sao Paulo Research Foundation (FAPESP)	2018/21213-6	Brazil
Brazilian National Council for Scientific and Technological Development (CNPq)	302992/2021-9	Brazil
German Research Foundation (DFG)	390715994	Germany

Citation

Journal: J.Biol.Chem. / Year: 2024
Title: Structure and dynamics of the staphylococcal pyridoxal 5-phosphate synthase complex reveal transient interactions at the enzyme interface.
Authors: Barra, A.L.C. / Ullah, N. / Brognaro, H. / Gutierrez, R.F. / Wrenger, C. / Betzel, C. / Nascimento, A.S.

History

Deposition	Sep 15, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 24, 2024	Provider: repository / Type: Initial release
Revision 1.1	Jul 31, 2024	Group: Database references / Category: citation Item: _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	8u7j.cif.gz	1.9 MB	Display	PDBx/mmCIF format
PDB format	pdb8u7j.ent.gz	1.6 MB	Display	PDB format
PDBx/mmJSON format	8u7j.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8u7j_validation.pdf.gz	635.1 KB	Display	wwPDB validaton report
Full document	8u7j_full_validation.pdf.gz	697.3 KB	Display
Data in XML	8u7j_validation.xml.gz	178.9 KB	Display
Data in CIF	8u7j_validation.cif.gz	226.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/u7/8u7j ftp://data.pdbj.org/pub/pdb/validation_reports/u7/8u7j	HTTPS FTP

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Related structure data

Related structure data	8qocC 8u9eC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#215 - Nov 2017 Aspartate Transcarbamoylase similarity (1) #228 - Dec 2018 Directed Evolution of Enzymes similarity (1) #57 - Sep 2004 Catalase similarity (1)

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Assembly

Deposited unit

A: Pyridoxal 5'-phosphate synthase subunit PdxS

T: Pyridoxal 5'-phosphate synthase subunit PdxT

G: Pyridoxal 5'-phosphate synthase subunit PdxS

B: Pyridoxal 5'-phosphate synthase subunit PdxS

L: Pyridoxal 5'-phosphate synthase subunit PdxS

K: Pyridoxal 5'-phosphate synthase subunit PdxS

F: Pyridoxal 5'-phosphate synthase subunit PdxS

J: Pyridoxal 5'-phosphate synthase subunit PdxS

C: Pyridoxal 5'-phosphate synthase subunit PdxS

I: Pyridoxal 5'-phosphate synthase subunit PdxS

H: Pyridoxal 5'-phosphate synthase subunit PdxS

D: Pyridoxal 5'-phosphate synthase subunit PdxS

E: Pyridoxal 5'-phosphate synthase subunit PdxS

N: Pyridoxal 5'-phosphate synthase subunit PdxT

S: Pyridoxal 5'-phosphate synthase subunit PdxT

X: Pyridoxal 5'-phosphate synthase subunit PdxT

R: Pyridoxal 5'-phosphate synthase subunit PdxT

W: Pyridoxal 5'-phosphate synthase subunit PdxT

O: Pyridoxal 5'-phosphate synthase subunit PdxT

M: Pyridoxal 5'-phosphate synthase subunit PdxT

V: Pyridoxal 5'-phosphate synthase subunit PdxT

U: Pyridoxal 5'-phosphate synthase subunit PdxT

P: Pyridoxal 5'-phosphate synthase subunit PdxT

Q: Pyridoxal 5'-phosphate synthase subunit PdxT

hetero molecules

638 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	101.235, 132.374, 142.097
Angle α, β, γ (deg.)	106.49, 109.51, 105.56
Int Tables number	1
Space group name H-M	P1
Symmetry operation	#1: x,y,z

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Components

#1: Protein	Pyridoxal 5'-phosphate synthase subunit PdxS Mass: 32158.863 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: pdxS / Production host: Escherichia coli (E. coli) / References: UniProt: A7WYT1
#2: Protein	Pyridoxal 5'-phosphate synthase subunit PdxT Mass: 20759.867 Da / Num. of mol.: 12 / Mutation: H165N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: pdxT / Production host: Escherichia coli (E. coli) / References: UniProt: A7WYT2
#3: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: PO₄
#4: Chemical	ChemComp-GLN / GLUTAMINE Type: L-peptide linking / Mass: 146.144 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₅H₁₀N₂O₃
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
Has ligand of interest	N

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.65 Å³/Da / Density % sol: 53.58 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 5% PEG4000, 0.2 M triammonium citrate pH 7, 10 mM L-glutamine

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Data collection

Diffraction	Mean temperature: 173 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, DESY / Beamline: P11 / Wavelength: 1.0332 Å
Detector	Type: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Aug 15, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 3.019→116.239 Å / Num. obs: 71124 / % possible obs: 59.3 % / Redundancy: 3.8 % / B_iso Wilson estimate: 69.51 Å² / CC_1/2: 0.993 / R_merge(I) obs: 0.127 / R_pim(I) all: 0.075 / Net I/σ(I): 4.7
Reflection shell	Resolution: 3.019→3.389 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.561 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 3556 / CC_1/2: 0.76 / R_pim(I) all: 0.329 / % possible all: 10.1

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Processing

Software

Name	Version	Classification
PHENIX	(dev_4788: ???)	refinement
autoPROC		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.02→54.83 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 27.03 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2475	3644	5.13 %
R_work	0.1997	-	-
obs	0.2022	71088	59.24 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 3.02→54.83 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	39537	0	180	0	39717

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	40209
X-RAY DIFFRACTION	f_angle_d	0.454	54524
X-RAY DIFFRACTION	f_dihedral_angle_d	4.792	5796
X-RAY DIFFRACTION	f_chiral_restr	0.042	6492
X-RAY DIFFRACTION	f_plane_restr	0.003	7175

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
3.02-3.06	0.1785	1	0.3594	25	X-RAY DIFFRACTION	1
3.06-3.1	0.4402	6	0.3381	80	X-RAY DIFFRACTION	2
3.1-3.14	0.7989	8	0.3379	212	X-RAY DIFFRACTION	5
3.14-3.19	0.3736	18	0.3248	354	X-RAY DIFFRACTION	8
3.19-3.24	0.2019	18	0.3456	507	X-RAY DIFFRACTION	11
3.24-3.29	0.3737	42	0.3167	701	X-RAY DIFFRACTION	16
3.29-3.35	0.3833	45	0.2866	828	X-RAY DIFFRACTION	19
3.35-3.41	0.284	60	0.2705	1074	X-RAY DIFFRACTION	24
3.41-3.48	0.3485	68	0.261	1325	X-RAY DIFFRACTION	30
3.48-3.55	0.3058	98	0.245	1761	X-RAY DIFFRACTION	40
3.55-3.63	0.2853	118	0.2478	2353	X-RAY DIFFRACTION	53
3.63-3.71	0.3595	127	0.2522	2157	X-RAY DIFFRACTION	50
3.71-3.8	0.3037	190	0.2385	3749	X-RAY DIFFRACTION	85
3.8-3.91	0.283	214	0.2318	4010	X-RAY DIFFRACTION	91
3.91-4.02	0.2409	238	0.2052	4016	X-RAY DIFFRACTION	92
4.02-4.15	0.2462	225	0.2027	3980	X-RAY DIFFRACTION	91
4.15-4.3	0.2482	209	0.1907	3851	X-RAY DIFFRACTION	89
4.3-4.47	0.2447	187	0.1662	3533	X-RAY DIFFRACTION	80
4.47-4.67	0.2326	226	0.162	3942	X-RAY DIFFRACTION	91
4.67-4.92	0.2266	220	0.1558	4276	X-RAY DIFFRACTION	97
4.92-5.23	0.2111	208	0.1749	4242	X-RAY DIFFRACTION	97
5.23-5.63	0.2204	208	0.1948	4241	X-RAY DIFFRACTION	96
5.63-6.2	0.2422	229	0.221	4175	X-RAY DIFFRACTION	95
6.2-7.09	0.2745	196	0.2234	4150	X-RAY DIFFRACTION	94
7.09-8.93	0.2042	221	0.184	3686	X-RAY DIFFRACTION	85
8.93-54.83	0.2327	264	0.1878	4216	X-RAY DIFFRACTION	97

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	1.8524	1.1136	2.219	3.6899	1.7395	2.9508	0.3649	-0.603	-0.0693	0.5027	-0.2347	0.5492	-0.1082	0.0271	-0.1303	0.3018	0.0796	0.1479	0.6574	0.1078	0.5336	-72.6897	175.4959	290.9089
2	2.6887	-0.1644	0.4721	2.3838	-2.0152	4.6723	-0.1442	-0.1228	0.6719	0.1488	0.1299	0.2151	-0.4489	-0.709	0.064	0.0963	0.0826	0.0687	0.4114	-0.0181	0.6539	-92.7608	174.5099	282.6909
3	2.945	-0.8688	-0.6582	1.9582	-1.6025	2.4967	0.0828	-0.2421	0.0887	0.1519	0.0095	0.4869	-0.4715	-0.4757	-0.0312	0.2758	0.1521	-0.0017	0.2061	-0.0824	0.4532	-87.1798	181.1943	274.7933
4	0.1689	-0.2036	0.1438	0.6133	-0.2281	0.271	-0.0623	0.0583	-0.1025	0.0296	0.0568	-0.0154	-0.0027	0.0237	0.086	-0.0191	0.324	-0.0733	0.3168	0.0246	0.3936	-72.8233	174.8029	273.9183
5	0.2622	-0.0949	-0.0226	0.0437	0.0566	0.3048	0.0789	0.0059	0.1389	0.0606	0.1441	0.0933	0.0135	-0.0333	0.1734	-0.222	0.4397	0.1389	0.3758	-0.0278	0.3907	-71.1453	158.1224	279.2787
6	3.5527	-0.6774	-1.3077	1.7318	1.0668	1.594	-0.0784	0.1073	0.2889	-0.053	0.0768	0.443	-0.2672	-0.5359	0.0979	0.1441	0.2038	0.0765	0.3507	0.0807	0.6954	-93.1586	162.655	282.0976
7	5.9979	1.1358	-1.2668	2.9328	1.0057	0.9812	0.1342	-0.0862	0.261	-0.2766	-0.0045	0.5963	-0.2763	-0.8215	-0.0953	0.1939	0.1723	-0.0318	0.6223	0.0025	0.7237	-98.5488	155.8963	286.5079
8	3.9366	-3.9313	-1.1742	4.3331	1.3059	3.8382	0.0388	-0.6076	0.5189	0.1478	0.2677	0.094	-0.4041	-0.2002	-0.2102	0.1841	-0.052	-0.0445	0.4055	-0.0639	0.4416	-28.077	184.2365	280.5895
9	1.2635	-0.652	1.1156	1.9375	-0.3704	1.4741	-0.1337	0.0882	0.4733	0.1345	0.0521	-0.302	-0.1909	0.3869	0.0644	0.2501	-0.1184	-0.0863	0.5179	-0.2246	0.4393	-16.7872	178.4639	282.7026
10	2.9905	1.6064	1.1491	1.5513	0.3201	2.496	0.3599	-0.8238	-0.2758	0.3119	-0.4301	0.0088	-0.2545	-0.1995	0.0957	0.3194	-0.0449	-0.1415	0.9477	-0.2178	0.5189	-23.7416	171.5512	296.0804
11	3.8831	-0.5358	2.1998	0.6383	0.8034	3.4181	0.3584	-0.9695	0.2286	0.9228	-0.5371	-0.5586	-0.108	-0.2486	0.1561	0.56	-0.3352	-0.1333	0.7611	-0.0998	0.5597	-21.5	179.5466	300.7343
12	6.4956	-2.4139	0.5955	1.0932	-0.9714	2.8981	0.4907	-0.0645	0.5869	0.1862	-0.3692	0.8333	-0.2809	-0.7816	-0.1022	0.2937	0.0721	0.0432	0.7155	-0.0643	0.6711	-29.9033	184.4466	291.3473
13	7.0336	-0.3518	-0.7821	6.6105	0.0175	0.4747	0.4365	-0.8622	0.4272	0.5079	-0.028	-0.2226	-0.1845	0.0791	-0.3483	0.1991	-0.0467	0.0127	0.8584	-0.0819	0.4816	-37.2387	167.2815	288.3777
14	3.6542	0.6785	-2.0825	5.0979	0.6513	2.3807	-0.2224	-0.199	-0.3166	0.361	-0.1996	-0.7693	0.0535	0.6314	0.2211	0.0902	-0.0533	-0.0672	0.3885	-0.0792	0.2556	-21.2109	157.2042	278.0016
15	5.6884	1.1228	0.6319	3.3851	0.0336	0.1763	-0.0084	-0.0595	-0.2831	0.1819	0.0821	-0.5624	-0.0056	0.2814	-0.2222	0.0047	0.0073	-0.0429	0.5089	0.0519	0.2743	-27.7117	148.1645	281.563
16	0.315	-0.1418	0.0342	0.1083	-0.0793	0.0537	-0.0954	-0.0543	0.0555	0.0348	0.0481	-0.0795	-0.0053	0.0654	-0.1361	-0.4775	0.1465	0.0167	0.4596	-0.108	0.3437	-41.6239	157.2493	274.9216
17	0.6041	-0.053	0.07	0.5122	0.2638	0.1545	-0.0907	-0.0928	-0.0602	-0.0097	-0.1301	0.0841	-0.0652	-0.0165	-0.148	-0.0428	0.0376	-0.0335	0.3544	-0.0374	0.4607	-49.2936	169.4855	271.7126
18	5.8477	1.2177	0.6911	2.5588	-0.8338	3.822	-0.4009	0.042	-0.296	-0.1625	0.0006	-0.3236	0.0074	0.3166	0.2061	0.0765	-0.1356	0.0149	0.3853	-0.0881	0.3294	-22.7288	162.802	267.6487
19	8.9292	-3.1888	0.1836	2.3205	-0.758	2.3708	0.2195	0.2631	-0.5933	-0.1411	-0.1626	-0.0348	0.2359	0.3038	0.0961	0.0796	0.0551	-0.0673	0.5172	-0.0397	0.6348	-17.3087	168.9588	262.4502
20	2.7278	0.0589	1.4487	1.5382	0.8251	6.0361	-0.1559	0.0763	1.0855	-0.0626	0.0789	-0.0424	-0.6718	0.5001	0.0287	0.2743	-0.1058	0.1841	0.6421	-0.025	0.9035	-55.4621	200.9915	247.334
21	7.5069	2.0285	-0.2081	5.5664	-0.2985	8.2052	0.2437	0.5525	0.2327	-0.2789	0.3363	0.6022	-0.432	-0.7499	-0.4592	0.3186	-0.0578	-0.0504	0.1773	0.0183	0.2477	-76.8578	199.5577	250.8579
22	2.3384	0.4829	1.5749	4.3276	4.9345	6.7621	-0.0132	-0.1173	0.3829	-0.5621	-0.3393	0.4852	-0.8267	-0.4402	0.3449	0.4863	0.113	0.0254	0.2929	0.0369	0.1655	-75.9977	196.2451	239.6762
23	2.6357	-0.9109	1.3872	2.259	-2.0931	3.0232	0.0431	0.0631	0.0134	0.008	0.1785	-0.0122	-0.3198	-0.3254	-0.2175	0.3097	0.0161	-0.0043	0.2558	-0.0429	0.1698	-62.6792	187.8654	239.2488
24	0.3277	0.2227	0.3195	1.0314	-0.3775	0.8764	0.1276	0.1165	-0.064	-0.0969	0.0039	-0.0045	-0.1611	0.281	-0.063	0.1352	0.0004	-0.0179	0.4313	-0.0724	0.4165	-56.7833	181.3751	254.4907
25	2.8892	-1.3357	-1.6318	2.6568	-0.1593	2.5016	0.1577	-0.2503	0.2389	-0.0257	0.1432	0.1401	-0.251	-0.4409	-0.2863	0.1699	0.1533	-0.0796	0.3464	-0.0592	0.4506	-76.6121	192.208	263.1693
26	7.9957	-0.4199	1.322	2.7956	0.1395	1.8019	-0.0126	-0.4175	-0.6387	0.1075	0.0604	0.3129	0.1208	-0.2863	-0.0765	0.1837	0.1222	-0.1102	0.5996	0.1033	0.6245	-62.3088	120.496	294.2313
27	2.6605	0.4578	-0.1774	2.4565	0.3372	2.3587	-0.1187	-0.011	-0.6212	0.3256	-0.0054	-0.7026	0.7826	0.9328	0.0967	0.3009	0.2368	-0.0726	0.4421	0.0831	0.656	-41.2182	120.3465	288.9086
28	3.3458	-1.2718	2.7834	3.3812	2.5004	7.3741	0.339	-0.1057	-0.4974	0.1664	0.1693	-0.5193	0.5706	0.9108	-0.3697	0.2208	0.0954	-0.0503	0.3965	0.0074	0.5961	-45.7727	112.8931	281.0678
29	1.0502	0.0461	-0.2105	0.4579	-0.3223	0.8669	-0.0028	0.025	0.1363	0.0466	0.0777	-0.0252	-0.0269	-0.0963	-0.076	-0.0526	0.1735	-0.0333	0.3356	-0.0978	0.4536	-57.6154	115.8696	275.9396
30	0.139	0.0363	0.0529	0.1835	0.1028	0.0806	0.0386	0.0318	-0.055	-0.0187	-0.1073	-0.0548	0.0273	0.0988	-0.0013	-0.3596	0.4455	-0.1557	0.3173	0.006	0.4347	-62.0127	133.3669	280.5039
31	1.6348	0.9662	0.9643	2.3169	-0.051	1.5476	-0.1599	0.1866	-0.3944	-0.1401	0.1248	-0.6751	0.2759	0.6044	-0.13	0.0796	0.2381	0.0707	0.6165	0.0312	0.533	-38.8651	134.4551	288.5927
32	1.4117	-0.6841	-0.4676	2.3112	-0.3518	1.6476	0.0899	0.1687	-0.6485	-0.1875	-0.0053	0.1262	0.3464	0.015	-0.0603	0.5333	0.1704	-0.0123	0.1106	-0.1002	0.5649	-60.5919	91.5069	255.3498
33	2.1603	-2.5855	-0.2026	6.246	-4.4834	7.1442	0.3238	0.0206	-0.195	-0.4075	-0.2941	-0.4701	0.6197	0.2089	-0.0077	0.4031	-0.0703	-0.0455	0.2593	-0.1512	0.494	-51.6264	94.5076	246.342
34	1.8268	-0.5838	-1.0818	0.6778	-0.1677	2.0667	-0.463	0.0759	-0.0858	0.1027	0.5179	0.315	0.4562	-0.0393	-0.0488	0.3842	0.0617	-0.037	0.1664	0.0034	0.5064	-64.6869	102.6788	243.2341
35	0.5832	-0.387	0.853	0.9384	-0.2979	1.3191	0.0594	-0.0085	-0.0204	-0.0942	0.1784	0.2439	0.2108	0.0852	-0.2244	0.2448	0.1085	-0.0472	0.3672	-0.0389	0.593	-72.6127	110.5716	256.8199
36	2.6313	-1.4065	2.369	3.9805	-1.0735	3.3098	0.1494	0.3074	-0.1308	-0.2187	-0.0235	-0.2667	0.4135	0.4901	-0.0926	0.1735	0.0828	-0.0423	0.2706	-0.0958	0.4164	-54.5276	100.5734	266.0885
37	2.9093	-2.9299	0.6742	4.5921	1.9734	4.4373	0.1889	-0.0566	0.2388	-0.2011	0.0841	-0.7173	-0.0106	0.3578	-0.277	0.394	0.2113	0.1122	0.3597	-0.0659	0.5677	-53.7459	100.8072	275.7653
38	0.8103	0.2319	-1.6764	0.7422	-1.0214	4.2215	-0.2134	-0.4812	-0.1338	0.2631	0.1017	0.1577	0.2775	-0.2076	0.0611	0.2854	0.0506	0.09	0.9554	0.0056	0.9727	-96.1373	127.693	286.3607
39	3.4527	-0.7899	0.4305	4.8377	-0.6501	2.6992	-0.3429	0.1291	0.5168	0.1437	0.1297	0.2783	-0.4336	-0.5439	0.2267	0.1896	0.0877	-0.0596	0.5582	0.0239	0.6337	-111.1438	136.258	273.2038
40	4.4342	1.7969	-0.6494	5.0917	0.5367	1.7708	0.323	0.0105	0.7228	0.0169	0.2179	0.5098	-0.1078	-1.0407	-0.4986	0.2348	0.0753	-0.0052	0.6599	0.0083	0.5859	-105.081	145.7585	276.5883
41	0.4291	-0.3224	-0.1858	0.2767	0.114	0.1146	-0.021	0.0428	-0.1143	0.0041	-0.0839	0.1896	0.0315	-0.0076	-0.0573	-0.2017	0.2252	0.1215	0.4417	0.0612	0.6842	-90.2479	140.8132	277.2372
42	0.4533	0.1524	-0.0385	0.2222	0.0681	0.3352	-0.0828	0.1038	0.0945	-0.0315	0.0097	0.2429	-0.0262	-0.1756	0.0024	-0.2059	0.0819	0.1155	0.5217	0.0915	0.6536	-86.2538	126.33	268.047
43	1.1509	0.4519	-0.6058	0.6659	0.4246	1.2165	-0.1532	0.1289	0.0658	-0.0495	-0.0274	0.4547	-0.0336	-0.4049	0.087	0.0443	-0.0351	0.0644	0.7294	0.0329	0.6933	-108.234	129.699	263.771
44	5.4062	-2.4281	2.7856	2.7805	1.7597	6.9749	0.1731	0.6176	0.6355	-0.3854	-0.2271	0.7406	-0.3125	-0.6882	0.0595	0.3517	-0.0557	0.0299	0.8203	0.2869	0.9637	-112.8912	122.8827	258.6405
45	2.3633	1.4341	1.2536	2.2394	-0.0184	4.2767	-0.0401	0.5487	-0.5498	-0.4236	-0.1049	0.0916	0.6905	0.4745	0.1127	0.6243	0.1114	0.0355	0.3594	-0.1719	0.3783	-50.4239	103.5516	210.6082
46	6.0679	0.2559	-1.1783	8.4688	-0.7238	2.1188	0.2475	-0.2324	-0.6082	-0.4193	0.1443	-0.7822	0.4303	0.5832	-0.4423	0.4959	0.0059	-0.0027	0.372	-0.0955	0.3301	-40.0197	111.3015	212.1251
47	2.9308	0.5363	-0.0773	2.5881	-0.6872	1.4588	-0.2477	0.4087	-0.2091	-0.166	0.331	0.0365	-0.2601	-0.0978	-0.0957	0.1534	-0.0136	-0.0043	0.3536	-0.0898	0.3156	-52.8664	120.3572	211.2064
48	1.3318	0.0869	-0.1395	1.3225	-0.4677	2.169	-0.1099	-0.0228	0.1527	-0.0996	-0.0454	-0.0502	0.2911	-0.1971	0.0766	0.2165	-0.0255	-0.1283	0.2523	-0.134	0.4791	-66.8449	115.4414	220.6542
49	3.1502	-0.7809	-2.0389	3.2066	-0.3707	4.4433	-0.1834	0.3602	-0.5027	0.462	-0.1369	-0.5091	0.2145	0.6073	0.3411	0.2477	0.0755	-0.1119	0.3102	-0.1003	0.4213	-51.1111	99.755	225.4624
50	4.4138	-3.497	1.0603	3.9569	-1.3884	4.5721	-0.388	-0.475	-0.0127	0.1884	0.3376	-0.6378	0.3491	0.4143	0.0743	0.4287	0.2408	0.0107	0.3698	-0.2261	0.5253	-53.8416	92.1784	230.8821
51	8.5185	1.5807	-1.3194	3.7335	-4.185	4.7183	-0.4476	1.4622	-0.264	-1.5182	-0.1684	-0.5485	0.391	0.3106	0.5625	0.9433	0.1701	0.1491	0.5954	-0.0094	0.4753	-62.4611	179.0522	199.1671
52	5.5548	1.6619	0.0804	3.81	1.1953	3.033	0.0043	0.5217	0.4412	-0.316	-0.4309	0.591	-0.529	-0.676	0.4171	0.5951	0.1072	-0.2958	0.4178	-0.0845	0.2918	-79.7893	186.8127	209.7418
53	3.9078	1.4097	0.8866	8.346	-0.5694	0.8584	0.2195	-0.0646	-0.1389	-0.3256	0.2594	0.5883	-0.4902	-0.5688	-0.3764	0.7747	0.0963	-0.2059	0.535	-0.0694	0.2326	-83.4762	176.1593	206.4873
54	3.9856	0.4711	1.5346	2.1169	1.1093	1.3075	-0.2714	0.2778	0.0755	-0.3636	0.0863	0.2247	-0.343	0.0087	0.1424	0.2969	0.0285	-0.0953	0.3666	-0.0882	0.2521	-70.7038	167.0896	207.9877
55	0.3511	-0.1363	-0.6582	1.6564	0.8845	1.4772	-0.0675	0.0603	-0.156	-0.1313	-0.161	0.2791	-0.1187	0.0021	0.2186	0.2701	0.0404	-0.1248	0.3661	-0.024	0.4225	-57.9328	171.7808	220.5022
56	2.255	-0.9073	-0.042	1.4021	0.0311	0.0037	0.0357	0.166	0.2253	-0.4084	0.0629	-0.2083	-0.0847	-0.0765	-0.0898	0.4426	0.075	0.0835	0.3065	0.0744	0.3715	-57.8909	175.7143	214.0741
57	2.9282	-0.0131	1.1505	6.1605	0.3439	6.3486	-0.0206	0.1878	0.4018	0.0054	-0.3225	0.7587	-0.3291	-0.4888	0.2969	0.2558	0.0805	-0.0842	0.2389	-0.024	0.2429	-74.0108	188.9702	219.8381
58	5.8665	-6.3541	1.1055	8.6732	1.7826	7.9758	0.2142	0.0964	0.0693	-0.9642	-0.1264	0.7114	-0.098	-0.4714	-0.1398	0.5373	0.0591	-0.0286	0.1916	0.0709	0.3646	-71.8968	197.0722	224.789
59	2.3113	1.0839	0.9704	2.4595	-0.2832	1.494	-0.136	0.7947	-0.1715	-0.8359	-0.0502	-0.1226	0.0927	0.1235	0.0878	0.56	-0.0356	0.3067	0.7067	-0.1385	0.5074	-35.2907	154.6119	196.5806
60	0.802	2.071	-0.0138	5.3465	-0.1759	4.0957	-0.2799	0.2795	-0.5194	-0.1353	-0.058	-1.3762	0.1749	0.8297	0.2835	0.2692	-0.0934	0.0849	0.5942	-0.1266	0.5932	-24.3548	137.8888	205.136
61	3.5141	-1.0245	1.553	4.0134	4.2943	8.2161	-0.0117	0.124	-0.4921	-0.2573	-0.2591	-0.285	0.1748	0.9243	0.2582	0.3173	-0.1541	0.1955	0.5006	-0.1481	0.5589	-22.0768	146.5134	212.7914
62	2.6834	0.3259	0.4843	1.1415	-0.0182	0.427	0.0923	0.226	-0.0476	-0.0174	0.2003	0.016	-0.2953	-0.022	-0.2338	0.1621	-0.0948	0.0913	0.6353	-0.1756	0.3623	-35.5957	154.5314	213.6069
63	1.7366	-0.0636	0.3556	1.9354	-0.5572	1.5115	0.056	0.1689	0.1919	-0.0636	-0.0594	-0.1496	0.2213	0.0076	0.0153	0.1643	0.0237	-0.0116	0.3401	-0.1265	0.2909	-50.2014	146.1283	208.5738
64	3.0892	0.4276	-1.2624	5.8051	0.4464	1.0579	0.0968	0.1611	-0.4184	-0.2549	0.0596	-0.9067	0.2303	0.5139	-0.1525	0.3742	-0.0098	0.0657	0.48	-0.2331	0.5338	-34.5217	127.9089	204.5756
65	2.364	0.7059	0.722	5.7463	0.3809	1.5035	-0.0681	-0.0151	-0.196	-0.7268	0.1732	-0.7134	-0.8072	0.6028	-0.1412	0.4843	-0.3375	0.1183	0.6115	-0.1012	0.3538	-23.6343	184.1221	239.502
66	0.9061	1.9874	-1.1289	4.3583	-2.5728	2.6667	0.0643	-0.1383	-0.1751	0.0243	-0.0265	-0.6622	-0.1435	0.6933	0.0531	0.2803	-0.2838	0.1098	0.7227	-0.2983	0.6564	-12.547	165.734	236.2094
67	3.6328	-0.6129	-0.5894	1.5997	-2.0388	3.7896	-0.2846	0.3746	-0.2109	-0.2263	0.12	-0.5542	-0.1534	0.1907	0.1279	0.2265	-0.318	0.0773	0.69	-0.2523	0.3941	-15.6914	164.7364	247.5076
68	1.3594	-0.1658	1.0611	0.4142	-0.3372	1.0476	0.0689	0.1516	0.1123	0.1263	-0.1715	0.3993	-0.1418	0.1807	0.0386	0.0573	-0.107	0.0972	0.4682	-0.1285	0.3302	-30.1691	170.871	247.9612
69	1.1859	-0.7602	-0.3163	0.6652	0.093	1.0478	-0.2397	-0.0499	-0.0283	-0.2035	0.3171	-0.1936	-0.2305	0.1408	-0.0389	0.1006	-0.1017	0.0409	0.5256	-0.1285	0.4161	-37.459	170.6437	231.5294
70	3.1006	-0.6948	-1.0211	2.5208	1.5539	3.6187	0.1585	-0.0903	-0.0824	-0.2663	0.1391	-0.3785	0.1166	1.1566	-0.214	0.3721	-0.1003	0.1245	0.786	-0.0956	0.3187	-16.9035	161.0534	224.3756
71	4.5942	0.3575	-0.3773	3.4996	0.9281	4.3006	0.365	0.3615	-0.72	-0.8066	0.1784	0.4066	1.0788	-0.0733	-0.518	1.4457	0.1877	-0.4304	0.9549	-0.0164	0.5757	-86.6238	131.624	194.4913
72	3.2476	-0.5007	-0.2807	1.5711	0.0381	0.9592	0.0026	0.2628	0.0304	-0.1391	0.0532	0.4264	-0.2079	-0.9285	0.0769	0.4049	0.0262	-0.4559	0.8711	0.0359	0.7657	-98.4815	148.8655	200.2504
73	3.5031	-0.1089	-1.7744	1.7617	-1.5207	3.8368	-0.0601	0.081	0.4121	-0.6285	0.149	0.6214	-0.0575	-0.7361	0.0767	0.3824	-0.0372	-0.3205	0.6046	0.0303	0.7721	-101.6625	140.8981	208.3064
74	1.0982	0.0837	0.0999	0.3036	0.007	0.0041	-0.0114	0.2	-0.1285	-0.0544	0.2027	0.0941	0.1234	-0.3111	0.0819	0.3279	-0.1789	-0.3321	0.6391	-0.0093	0.6458	-88.3423	133.1397	211.3716
75	2.1393	-0.8962	-0.3879	2.7292	-0.2808	0.9355	-0.0863	-0.3982	0.091	-0.4822	0.3276	0.2776	0.1164	-0.1618	-0.1825	0.2241	0.0076	-0.1572	0.3918	0.0143	0.342	-73.2343	141.2387	207.4083
76	4.1984	-0.0194	0.4454	1.9424	-0.7725	1.6404	-0.1291	0.1539	0.5471	-0.2614	0.1932	0.4808	-0.1975	-0.5951	0.1195	0.3893	-0.0638	-0.383	0.7255	-0.0641	0.5296	-88.3073	158.8708	200.0289
77	1.5678	1.389	-2.5052	4.0037	-1.4734	5.6078	-0.1573	0.0681	-1.2967	0.1152	-0.2572	-0.0608	0.9344	-1.0399	0.3685	0.7773	-0.489	-0.3281	1.0591	-0.0233	1.6016	-103.0799	105.4748	238.1036
78	3.1932	-0.4454	-0.0085	3.6295	2.4194	2.8324	-0.1002	-0.1172	0.2077	-0.2351	-0.1308	0.6743	-0.1532	-0.7947	0.3792	0.2895	-0.191	-0.2942	0.9415	0.1186	0.8461	-114.1153	123.1957	231.7165
79	3.5386	-0.9944	1.7298	1.1327	1.0257	3.5138	-0.3199	0.3435	-0.1395	-0.5097	-0.0643	0.7056	0.0396	-0.5104	0.22	0.3068	-0.2469	-0.2503	0.7904	-0.0021	0.7147	-112.0094	125.4417	243.5134
80	0.884	-0.2162	-0.5645	0.213	0.1229	0.3615	0.1366	0.0031	0.1674	-0.0572	-0.0433	0.337	0.0954	-0.464	0.1572	0.155	-0.1087	-0.2667	0.6738	0.0805	0.7751	-95.3131	120.7748	240.3138
81	2.6379	-1.5053	0.9155	0.9005	-0.3306	1.3346	-0.1093	-0.2275	0.1638	-0.1827	0.1913	0.1702	0.2823	-0.4187	-0.1369	0.2088	-0.0579	-0.0817	0.4829	0.0739	0.5161	-84.4554	113.2168	234.1108
82	0.802	0.3082	1.0208	0.9027	-0.0164	1.5047	-0.1178	0.107	0.424	-0.2752	0.108	0.6371	-0.0259	-0.6785	0.1298	0.3108	-0.2185	-0.2403	1.0771	0.0372	0.9389	-106.4867	126.5652	220.1178
83	4.0686	0.3992	0.7935	0.6914	-0.4152	0.5446	0.1123	-0.1952	0.1043	0.3356	0.1197	-0.4982	-0.1518	0.5672	-0.1434	0.7157	0.029	-0.3833	0.6322	-0.2859	0.5552	-54.9663	204.5015	267.7962
84	1.8146	0.7154	0.983	1.1929	0.11	1.7993	0.1054	-0.2205	0.3428	0.0691	0.0763	-0.0724	-0.2004	0.0123	-0.0599	0.8297	-0.0467	-0.0712	0.3563	-0.255	0.6355	-65.7734	211.3012	266.3314
85	0.3364	-0.1992	-0.2649	2.3418	2.1431	2.3409	0.0144	-0.04	0.19	-0.1276	0.1619	-0.2245	-0.2264	0.3455	-0.1015	0.6201	-0.0818	0.0591	0.3631	-0.0316	0.7903	-59.9214	215.904	251.5063
86	3.1876	0.3063	1.8219	4.8014	0.7552	3.0398	-0.1788	0.3423	0.1937	-0.2064	0.4963	-0.4988	-0.5604	0.8481	-0.1819	0.8265	-0.3553	0.0405	0.736	-0.275	0.8096	-52.1447	216.7675	259.2214
87	3.9924	-0.3256	-2.2994	2.0557	-0.5249	1.5721	-0.1687	-0.2447	0.6348	0.5571	-0.0453	0.4935	-0.2818	-0.3523	0.0858	0.4288	0.2693	-0.0705	0.6014	-0.1729	0.4968	-56.4504	136.1403	306.6241
88	0.3956	0.1136	0.0634	0.7115	0.4405	0.5916	-0.0382	-0.0702	-0.0567	0.1754	-0.0129	-0.2637	0.0535	0.1958	0.0646	0.3282	0.3111	-0.2656	0.6076	0.0757	0.4874	-43.9562	130.9025	307.2212
89	3.4955	-0.9249	-1.8757	3.0917	-0.9314	1.7224	0.1357	0.2535	0.1156	-0.1131	-0.1152	-0.3648	0.1037	0.5232	-0.0036	0.7294	0.1915	-0.1076	0.7515	0.1762	0.4837	-49.5525	126.2131	312.5277
90	1.0602	1.3299	0.534	1.6872	0.6704	2.8223	0.4011	-0.0535	-0.2022	0.4649	-0.0029	-0.499	0.3615	-0.425	-0.349	0.5542	0.1321	0.0302	0.6934	0.1657	0.656	-55.0264	115.7087	307.4841
91	2.0003	0.0321	-1.8433	3.1192	-2.2292	3.2525	0.5468	-0.492	-0.4116	0.819	-0.3056	-0.4839	1.1223	-1.0889	-0.2524	0.9657	-0.1597	-0.2558	0.8096	0.2266	0.5581	-57.2734	116.9153	316.67
92	3.8279	0.2454	1.3621	3.2084	-0.9806	0.8421	0.1648	-0.0821	0.4096	0.4871	-0.2348	0.4548	0.011	-0.7248	0.106	0.4872	0.1902	0.0163	1.2357	-0.1155	0.4631	-62.3445	128.2807	311.3898
93	5.647	-0.0222	-1.686	2.6817	1.1652	1.8149	0.1665	0.3856	-0.047	0.1008	0.0001	0.621	0.0096	-0.4802	-0.1085	0.3434	0.1294	-0.0156	0.3154	0.0079	0.4431	-76.5169	88.7939	272.005
94	3.1699	0.839	-1.0576	1.5528	-0.4501	1.0443	0.2424	-0.0377	-0.3986	0.2555	-0.1808	-0.0217	0.0564	0.1451	-0.0596	0.6058	0.0118	0.1347	0.2642	-0.0003	0.4438	-65.4572	82.3101	272.9333
95	0.7962	0.5497	-0.3798	0.8611	0.4335	1.8355	-0.094	0.1203	0.08	-0.1729	0.0998	0.013	0.2553	-0.0938	-0.0075	0.6998	-0.0179	-0.1274	0.3651	0.0483	0.6467	-68.7789	76.0955	257.9258
96	3.1564	-0.0383	-1.0073	5.1877	-0.8191	3.6348	-0.0329	0.3471	-0.0545	-0.2082	-0.1137	0.5691	0.762	-0.3743	0.1642	0.5986	-0.0968	-0.0654	0.3748	-0.028	0.4412	-77.6627	75.7283	264.3662
97	2.0463	-2.0349	1.1539	2.0328	-1.3355	4.1778	-0.1825	0.1929	-0.435	-0.0105	0.2177	-0.1806	0.3271	0.1693	0.0124	0.3994	-0.092	0.0699	0.6498	0.2168	1.2188	-103.8141	109.5847	279.2438
98	0.68	0.0605	-0.5779	1.182	0.1481	0.5782	-0.0877	0.0882	-0.034	-0.011	0.147	0.1152	0.2567	-0.4164	-0.0248	0.4361	-0.2409	0.0267	1.1079	0.2681	1.203	-115.397	115.1666	279.4589
99	1.8017	0.4068	0.4168	1.1294	0.424	2.764	-0.0845	-0.2918	0.2084	0.2767	-0.0911	0.3414	0.5209	-0.3226	0.1733	0.6313	-0.077	0.1595	0.9128	0.0548	0.8016	-110.2096	123.5767	292.7898
100	0.7622	-0.9117	-0.4135	1.3495	-0.5159	4.17	0.3593	-0.807	-0.355	0.7088	-0.4908	0.5146	0.1529	0.044	0.1377	0.5711	-0.1248	0.229	0.9673	0.2375	0.9544	-112.9937	115.7486	297.7741
101	3.9431	-1.8411	1.4852	2.6127	1.1542	3.7671	0.1167	-0.0146	-0.5273	0.0358	0.1543	-0.2776	0.3204	0.3281	-0.0857	0.5694	-0.1019	0.0191	0.9377	0.4902	1.4361	-103.2718	110.4811	290.1115
102	2.8199	-0.4266	0.8486	0.1393	-0.419	1.3825	0.0985	0.4028	0.0039	-0.2973	0.0231	0.538	0.4663	-0.5674	-0.0275	0.3545	-0.1542	-0.1087	0.4153	-0.1799	0.7245	-69.7829	90.9189	210.2862
103	0.7662	0.5058	-0.2314	1.4101	0.3965	0.8539	-0.0398	0.0147	-0.2345	-0.1297	0.0451	-0.0607	0.2561	0.021	-0.0265	0.8306	-0.0194	-0.1896	0.1391	-0.1494	0.8095	-58.4329	84.8742	210.2541
104	1.2543	-0.6569	-0.6637	4.1419	0.5732	0.9447	0.2568	0.3887	-0.4904	-0.424	-0.1196	-0.1551	0.4362	-0.1336	-0.0393	0.9648	0.025	-0.1243	0.581	-0.237	0.6691	-54.7572	93.5452	196.5964
105	1.5966	-1.1803	0.6432	1.5119	0.1783	2.8496	-0.0821	0.5794	-0.7168	-0.783	0.2287	0.053	0.3556	0.3826	-0.0964	1.0508	-0.2371	0.112	0.6413	-0.4194	0.8489	-59.3506	86.7914	191.7056
106	2.6579	-1.5163	0.0987	2.9005	-1.015	0.9959	-0.1255	0.0405	0.051	-0.0149	0.132	0.571	0.1791	-0.0897	0.0312	1.1246	-0.2164	-0.0974	0.5571	-0.3818	1.1038	-69.4126	91.5116	199.3888
107	7.0054	-0.5287	-2.1622	2.5467	1.6403	2.4919	0.0978	0.2246	0.3622	-0.5477	0.0339	-0.8526	-0.4603	0.4064	-0.1979	0.5386	-0.0494	0.0944	0.5762	0.1759	0.6716	-53.7064	196.6234	206.6111
108	2.4763	0.9443	0.5801	1.5656	-0.2558	0.7007	-0.16	0.2321	0.2141	-0.6256	-0.2485	-0.2538	-0.2636	0.0264	0.2989	1.1035	-0.0462	0.0554	0.4975	0.1587	0.4393	-64.9428	202.5216	204.5398
109	2.0521	0.9326	0.1877	3.8751	-0.4952	1.7886	-0.3275	0.281	0.0484	-0.8	0.1515	-0.0803	-0.1158	0.2595	0.0165	1.3567	0.0791	0.0292	0.7376	0.062	0.7335	-66.7975	192.6133	191.3705
110	1.5806	-0.3021	0.4289	1.5911	-1.7511	1.9316	-0.3973	0.8352	0.4654	-1.0317	0.6311	0.417	-0.145	-0.1943	-0.1657	1.781	-0.2035	0.0917	0.9304	0.3206	0.6353	-61.5928	198.9518	186.5181
111	3.1902	-2.5118	0.1783	2.6007	0.7045	1.1507	0.0442	0.1663	0.0457	-0.6578	0.1172	-0.7064	-0.1145	0.134	-0.1461	0.9908	-0.0071	0.2946	0.6212	0.191	0.8548	-52.6322	195.0528	195.8645
112	3.9594	-0.4474	3.3039	2.043	1.1925	3.9838	0.0782	-0.2607	-0.2136	0.4603	0.0379	-0.2518	0.5822	0.4498	-0.1702	0.4813	0.1528	0.163	0.5717	0.2259	0.6774	-80.227	161.4521	304.2349
113	0.8287	0.7407	0.3053	1.5225	-0.4603	1.7061	-0.0592	-0.4304	-0.021	0.3599	-0.2196	0.2068	-0.0046	-0.3757	0.1216	0.6459	0.1106	0.2908	0.7832	0.0921	0.4329	-91.2974	167.9823	303.9412
114	0.2537	-0.0354	-0.5235	1.6068	1.2543	3.3621	0.1918	-0.4427	0.3782	0.2313	-0.0245	0.0386	-0.1206	0.0297	-0.1845	0.6663	0.1102	0.1472	0.7487	-0.1802	0.513	-82.2176	181.7509	302.1982
115	2.2928	-0.2245	-0.489	1.8629	1.1853	4.4608	-0.0504	-0.5154	-0.007	0.4631	-0.0243	0.0601	-0.2867	0.5328	0.1751	1.0836	0.0484	0.217	0.8621	-0.0448	0.3688	-78.0681	175.3378	310.0924
116	1.4657	-2.077	0.6324	3.5229	-1.68	1.8	0.2702	0.1847	-0.22	-0.5812	0.0445	0.271	-0.0018	-0.4166	-0.0519	0.9012	-0.324	-0.0217	1.0334	-0.2515	0.3422	-42.3425	139.9017	183.7013
117	0.7411	0.0612	0.9228	0.5239	0.2256	2.6426	-0.1056	0.286	-0.4086	-0.4079	0.0138	-0.0252	0.0894	-0.0819	0.1241	0.8521	-0.3605	0.3492	0.9746	-0.4038	0.7546	-30.6177	134.626	184.0779
118	0.5421	-0.3122	-0.4923	1.5286	0.9523	2.5049	0.1184	0.3381	-0.1728	-0.2982	-0.0669	-0.2457	-0.0427	0.2566	0.003	1.0906	-0.3231	0.318	1.0196	-0.1873	0.5197	-24.6077	150.0313	185.3702
119	0.3023	-0.3291	-0.2666	0.9322	0.461	3.8937	-0.046	0.0071	0.0446	-0.4173	0.1085	-0.1517	-0.4244	-0.0686	-0.0367	1.024	-0.5155	0.2183	1.4056	-0.2938	0.4305	-32.2804	149.5006	177.5189
120	2.4858	-2.1797	0.6969	4.6028	0.5852	2.0858	0.2567	0.0307	0.5239	-0.1805	0.0266	0.1013	-0.7143	-0.1128	-0.363	1.0107	-0.4779	0.2066	0.7497	0.0046	0.4758	-21.332	186.067	218.8932
121	0.0196	-0.0007	0.0735	0.329	-0.051	0.2857	0.0259	0.0831	0.0518	-0.1279	0.0699	-0.0711	-0.1137	0.1229	0.0935	0.7231	-0.678	0.291	1.0355	-0.052	0.3756	-9.5852	181.0256	220.2931
122	0.8398	0.6501	-0.5238	0.7223	-0.3046	0.4226	0.0106	0.0325	0.1448	-0.1319	-0.0837	-0.0623	-0.4331	0.2976	-0.08	1.1332	-0.8051	0.1692	1.1231	-0.0411	0.7265	-8.9351	188.6726	235.0015
123	1.7502	1.2245	0.1191	2.2699	-0.1425	0.205	0.2504	-0.4916	-0.0644	0.3632	-0.363	-0.4114	-0.364	0.4713	0.0818	1.1654	-0.7843	0.2617	1.1602	-0.0887	0.7218	-6.0349	196.3432	230.2159
124	4.0531	-1.7326	0.3332	3.347	2.1903	2.3136	0.2099	-0.148	0.2462	-0.4818	-0.1167	0.0085	-0.3985	-0.2604	-0.1981	1.0225	-0.6048	0.1248	0.9982	-0.0563	0.5344	-18.2539	194.6996	224.8228
125	4.1042	-2.5516	-2.0196	6.0375	1.2451	1.7068	0.1638	0.1534	0.0053	-0.7314	0.0715	-0.5403	0.2328	0.164	-0.1997	0.7168	-0.1868	0.0618	0.441	-0.0881	0.3772	-78.2448	145.3164	181.1799
126	0.6833	0.1794	-0.7809	0.4015	0.2932	1.9955	0.0188	0.1947	-0.008	-0.2483	0.0577	0.0614	-0.0793	-0.1981	0.0975	1.5131	-0.2902	-0.4058	0.7214	0.0253	0.4416	-89.9935	150.3611	179.7876
127	0.4559	0.1002	0.2723	0.632	-0.4968	1.7814	-0.0732	0.2245	-0.2223	-0.409	0.2183	0.3164	0.4598	-0.3408	-0.2199	1.3734	-0.3322	-0.4565	0.8854	0.0546	0.8027	-95.9493	134.9983	181.6906
128	1.1335	-0.35	-0.6796	3.0506	-0.5474	3.0896	-0.0147	0.0319	0.0575	-0.7433	0.0093	-0.0427	0.5058	-0.2635	0.0201	1.5885	-0.2125	-0.223	0.8305	-0.0369	0.544	-87.4433	135.0341	174.7377
129	4.2605	-2.9796	-2.0022	4.7656	-0.4782	2.2547	-0.1142	-0.0181	-0.7998	-0.3219	0.2275	-0.0866	0.7745	0.5743	-0.0532	1.1465	-0.0247	-0.1218	1.1732	-0.236	1.4529	-102.2625	101.7069	217.364
130	0.9705	-0.6709	-0.9431	1.5243	0.0277	1.289	-0.1355	0.3235	-0.1435	-0.2331	0.116	0.3707	0.1564	-0.6337	-0.008	1.7578	-0.5268	-0.5512	2.0249	0.0091	1.4524	-114.3628	106.0384	216.9453
131	0.1297	-0.2294	0.5028	0.5268	-0.5777	2.6591	0.0326	0.1769	-0.0367	-0.2609	0.1265	0.331	0.3956	-0.3816	-0.148	2.2286	-0.9256	-0.3283	2.1589	0.0139	1.8654	-116.4413	99.3619	231.9919
132	1.3847	1.1564	-0.8372	2.2944	-0.8555	0.5248	0.4734	-0.6834	-0.2866	0.4237	-0.1539	0.436	1.0428	-0.8642	-0.3166	2.295	-1.2862	-0.1843	2.1911	0.1531	1.749	-118.223	91.0597	227.4501
133	2.4069	-2.2142	-0.3023	3.0141	-1.038	1.8264	-0.0545	-0.4865	-0.1037	-0.2179	-0.0532	0.0597	0.2675	0.3055	0.2116	1.751	-0.6325	-0.5253	1.7532	-0.2793	1.673	-105.5698	93.2965	223.4979

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 18 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 19 through 45 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 46 through 83 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 84 through 142 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 143 through 218 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 219 through 257 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 258 through 275 )
8	X-RAY DIFFRACTION	8	chain 'T' and (resid -1 through 31 )
9	X-RAY DIFFRACTION	9	chain 'T' and (resid 32 through 81 )
10	X-RAY DIFFRACTION	10	chain 'T' and (resid 82 through 137 )
11	X-RAY DIFFRACTION	11	chain 'T' and (resid 138 through 162 )
12	X-RAY DIFFRACTION	12	chain 'T' and (resid 163 through 201 )
13	X-RAY DIFFRACTION	13	chain 'G' and (resid 2 through 18 )
14	X-RAY DIFFRACTION	14	chain 'G' and (resid 19 through 45 )
15	X-RAY DIFFRACTION	15	chain 'G' and (resid 46 through 83 )
16	X-RAY DIFFRACTION	16	chain 'G' and (resid 84 through 177 )
17	X-RAY DIFFRACTION	17	chain 'G' and (resid 178 through 218 )
18	X-RAY DIFFRACTION	18	chain 'G' and (resid 219 through 257 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 258 through 275 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 2 through 18 )
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 19 through 45 )
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 46 through 83 )
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 84 through 142 )
24	X-RAY DIFFRACTION	24	chain 'B' and (resid 143 through 218 )
25	X-RAY DIFFRACTION	25	chain 'B' and (resid 219 through 275 )
26	X-RAY DIFFRACTION	26	chain 'L' and (resid 2 through 18 )
27	X-RAY DIFFRACTION	27	chain 'L' and (resid 19 through 45 )
28	X-RAY DIFFRACTION	28	chain 'L' and (resid 46 through 83 )
29	X-RAY DIFFRACTION	29	chain 'L' and (resid 84 through 118 )
30	X-RAY DIFFRACTION	30	chain 'L' and (resid 119 through 218 )
31	X-RAY DIFFRACTION	31	chain 'L' and (resid 219 through 275 )
32	X-RAY DIFFRACTION	32	chain 'K' and (resid 2 through 45 )
33	X-RAY DIFFRACTION	33	chain 'K' and (resid 46 through 83 )
34	X-RAY DIFFRACTION	34	chain 'K' and (resid 84 through 142 )
35	X-RAY DIFFRACTION	35	chain 'K' and (resid 143 through 218 )
36	X-RAY DIFFRACTION	36	chain 'K' and (resid 219 through 257 )
37	X-RAY DIFFRACTION	37	chain 'K' and (resid 258 through 275 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 2 through 18 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 19 through 45 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 46 through 83 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 84 through 142 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 143 through 218 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 219 through 257 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 258 through 275 )
45	X-RAY DIFFRACTION	45	chain 'J' and (resid 2 through 45 )
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 46 through 83 )
47	X-RAY DIFFRACTION	47	chain 'J' and (resid 84 through 142 )
48	X-RAY DIFFRACTION	48	chain 'J' and (resid 143 through 218 )
49	X-RAY DIFFRACTION	49	chain 'J' and (resid 219 through 257 )
50	X-RAY DIFFRACTION	50	chain 'J' and (resid 258 through 275 )
51	X-RAY DIFFRACTION	51	chain 'C' and (resid 2 through 18 )
52	X-RAY DIFFRACTION	52	chain 'C' and (resid 19 through 45 )
53	X-RAY DIFFRACTION	53	chain 'C' and (resid 46 through 83 )
54	X-RAY DIFFRACTION	54	chain 'C' and (resid 84 through 142 )
55	X-RAY DIFFRACTION	55	chain 'C' and (resid 143 through 193 )
56	X-RAY DIFFRACTION	56	chain 'C' and (resid 194 through 218 )
57	X-RAY DIFFRACTION	57	chain 'C' and (resid 219 through 257 )
58	X-RAY DIFFRACTION	58	chain 'C' and (resid 258 through 275 )
59	X-RAY DIFFRACTION	59	chain 'I' and (resid 2 through 18 )
60	X-RAY DIFFRACTION	60	chain 'I' and (resid 19 through 45 )
61	X-RAY DIFFRACTION	61	chain 'I' and (resid 46 through 83 )
62	X-RAY DIFFRACTION	62	chain 'I' and (resid 84 through 142 )
63	X-RAY DIFFRACTION	63	chain 'I' and (resid 143 through 218 )
64	X-RAY DIFFRACTION	64	chain 'I' and (resid 219 through 275 )
65	X-RAY DIFFRACTION	65	chain 'H' and (resid 2 through 18 )
66	X-RAY DIFFRACTION	66	chain 'H' and (resid 19 through 45 )
67	X-RAY DIFFRACTION	67	chain 'H' and (resid 46 through 83 )
68	X-RAY DIFFRACTION	68	chain 'H' and (resid 84 through 142 )
69	X-RAY DIFFRACTION	69	chain 'H' and (resid 143 through 228 )
70	X-RAY DIFFRACTION	70	chain 'H' and (resid 229 through 275 )
71	X-RAY DIFFRACTION	71	chain 'D' and (resid 2 through 18 )
72	X-RAY DIFFRACTION	72	chain 'D' and (resid 19 through 45 )
73	X-RAY DIFFRACTION	73	chain 'D' and (resid 46 through 83 )
74	X-RAY DIFFRACTION	74	chain 'D' and (resid 84 through 142 )
75	X-RAY DIFFRACTION	75	chain 'D' and (resid 143 through 218 )
76	X-RAY DIFFRACTION	76	chain 'D' and (resid 219 through 275 )
77	X-RAY DIFFRACTION	77	chain 'E' and (resid 2 through 18 )
78	X-RAY DIFFRACTION	78	chain 'E' and (resid 19 through 45 )
79	X-RAY DIFFRACTION	79	chain 'E' and (resid 46 through 84 )
80	X-RAY DIFFRACTION	80	chain 'E' and (resid 85 through 177 )
81	X-RAY DIFFRACTION	81	chain 'E' and (resid 178 through 218 )
82	X-RAY DIFFRACTION	82	chain 'E' and (resid 219 through 275 )
83	X-RAY DIFFRACTION	83	chain 'N' and (resid -1 through 31 )
84	X-RAY DIFFRACTION	84	chain 'N' and (resid 32 through 81 )
85	X-RAY DIFFRACTION	85	chain 'N' and (resid 82 through 137 )
86	X-RAY DIFFRACTION	86	chain 'N' and (resid 138 through 201 )
87	X-RAY DIFFRACTION	87	chain 'S' and (resid -1 through 31 )
88	X-RAY DIFFRACTION	88	chain 'S' and (resid 32 through 65 )
89	X-RAY DIFFRACTION	89	chain 'S' and (resid 66 through 81 )
90	X-RAY DIFFRACTION	90	chain 'S' and (resid 82 through 137 )
91	X-RAY DIFFRACTION	91	chain 'S' and (resid 138 through 162 )
92	X-RAY DIFFRACTION	92	chain 'S' and (resid 163 through 201 )
93	X-RAY DIFFRACTION	93	chain 'X' and (resid -1 through 31 )
94	X-RAY DIFFRACTION	94	chain 'X' and (resid 32 through 81 )
95	X-RAY DIFFRACTION	95	chain 'X' and (resid 82 through 137 )
96	X-RAY DIFFRACTION	96	chain 'X' and (resid 138 through 201 )
97	X-RAY DIFFRACTION	97	chain 'R' and (resid -1 through 31 )
98	X-RAY DIFFRACTION	98	chain 'R' and (resid 32 through 81 )
99	X-RAY DIFFRACTION	99	chain 'R' and (resid 82 through 137 )
100	X-RAY DIFFRACTION	100	chain 'R' and (resid 138 through 162 )
101	X-RAY DIFFRACTION	101	chain 'R' and (resid 163 through 201 )
102	X-RAY DIFFRACTION	102	chain 'W' and (resid -1 through 31 )
103	X-RAY DIFFRACTION	103	chain 'W' and (resid 32 through 81 )
104	X-RAY DIFFRACTION	104	chain 'W' and (resid 82 through 137 )
105	X-RAY DIFFRACTION	105	chain 'W' and (resid 138 through 162 )
106	X-RAY DIFFRACTION	106	chain 'W' and (resid 163 through 201 )
107	X-RAY DIFFRACTION	107	chain 'O' and (resid -1 through 31 )
108	X-RAY DIFFRACTION	108	chain 'O' and (resid 32 through 81 )
109	X-RAY DIFFRACTION	109	chain 'O' and (resid 82 through 137 )
110	X-RAY DIFFRACTION	110	chain 'O' and (resid 138 through 162 )
111	X-RAY DIFFRACTION	111	chain 'O' and (resid 163 through 201 )
112	X-RAY DIFFRACTION	112	chain 'M' and (resid -1 through 31 )
113	X-RAY DIFFRACTION	113	chain 'M' and (resid 32 through 81 )
114	X-RAY DIFFRACTION	114	chain 'M' and (resid 82 through 137 )
115	X-RAY DIFFRACTION	115	chain 'M' and (resid 138 through 201 )
116	X-RAY DIFFRACTION	116	chain 'V' and (resid -1 through 31 )
117	X-RAY DIFFRACTION	117	chain 'V' and (resid 32 through 81 )
118	X-RAY DIFFRACTION	118	chain 'V' and (resid 82 through 137 )
119	X-RAY DIFFRACTION	119	chain 'V' and (resid 138 through 201 )
120	X-RAY DIFFRACTION	120	chain 'U' and (resid -1 through 31 )
121	X-RAY DIFFRACTION	121	chain 'U' and (resid 32 through 81 )
122	X-RAY DIFFRACTION	122	chain 'U' and (resid 82 through 137 )
123	X-RAY DIFFRACTION	123	chain 'U' and (resid 138 through 162 )
124	X-RAY DIFFRACTION	124	chain 'U' and (resid 163 through 201 )
125	X-RAY DIFFRACTION	125	chain 'P' and (resid -1 through 31 )
126	X-RAY DIFFRACTION	126	chain 'P' and (resid 32 through 81 )
127	X-RAY DIFFRACTION	127	chain 'P' and (resid 82 through 137 )
128	X-RAY DIFFRACTION	128	chain 'P' and (resid 138 through 201 )
129	X-RAY DIFFRACTION	129	chain 'Q' and (resid -1 through 31 )
130	X-RAY DIFFRACTION	130	chain 'Q' and (resid 32 through 81 )
131	X-RAY DIFFRACTION	131	chain 'Q' and (resid 82 through 137 )
132	X-RAY DIFFRACTION	132	chain 'Q' and (resid 138 through 162 )
133	X-RAY DIFFRACTION	133	chain 'Q' and (resid 163 through 201 )

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