PDB-5bp4: Modifying region (DH-ER-KR) of a mycocerosic acid synthase-like (...

Basic information

• Entry: Database: PDB / ID: 5bp4
• Title: Modifying region (DH-ER-KR) of a mycocerosic acid synthase-like (MAS-like) PKS
• Components: Mycocerosic acid synthase
• Keywords: TRANSFERASE / polyketide / dehydratase / ketoreductase / enoylreductase

Function / homology

Function:

DIM/DIP cell wall layer assembly / fatty acid synthase activity / phosphopantetheine binding / 3-oxoacyl-[acyl-carrier-protein] synthase activity / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / fatty acid biosynthetic process / oxidoreductase activity / plasma membrane / cytoplasm

Domain/homology:

: / Zinc-binding dehydrogenase / : / Polyketide synthase dehydratase N-terminal domain / Polyketide synthase, dehydratase domain / PKS_DH / : / Polyketide synthase dehydratase domain / : / Polyketide and metazoan fatty acid synthase dehydratase (PKS/mFAS DH) domain profile. / Polyketide synthase, dehydratase domain superfamily / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Polyketide synthase, ketoreductase domain / KR domain / Malonyl-CoA ACP transacylase, ACP-binding / : / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase domain superfamily / Alcohol dehydrogenase, N-terminal / Alcohol dehydrogenase GroES-like domain / Acyl transferase/acyl hydrolase/lysophospholipase / Polyketide synthase, enoylreductase domain / Enoylreductase / Polyketide synthase, phosphopantetheine-binding domain / Phosphopantetheine attachment site / PKS_KR / Beta-ketoacyl synthase / Beta-ketoacyl synthase, active site / Ketosynthase family 3 (KS3) active site signature. / Ketosynthase family 3 (KS3) domain profile. / Beta-ketoacyl synthase, N-terminal / Beta-ketoacyl synthase, C-terminal / Polyketide synthase, beta-ketoacyl synthase domain / Beta-ketoacyl synthase, N-terminal domain / Beta-ketoacyl synthase, C-terminal domain / GroES-like superfamily / Thiolase-like / Phosphopantetheine attachment site / ACP-like superfamily / Carrier protein (CP) domain profile. / Phosphopantetheine binding ACP domain / NAD(P)-binding domain superfamily

Component:

NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Mycocerosic acid synthase-like polyketide synthase

• Biological species: Mycobacterium smegmatis (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.75 Å
• Authors: Herbst, D.A. / Jakob, P.R. / Zaehringer, F. / Maier, T.

Funding support

Switzerland, 4items

Organization	Grant number	Country
Swiss National Science Foundation	125357	Switzerland
Swiss National Science Foundation	138262	Switzerland
Swiss National Science Foundation	159696	Switzerland
Swiss National Science Foundation	145023	Switzerland

• Citation: Journal: Nature / Year: 2016; Title: Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases.; Authors: Herbst, D.A. / Jakob, R.P. / Zahringer, F. / Maier, T.

History

Deposition	May 27, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Mar 9, 2016	Provider: repository / Type: Initial release
Revision 1.1	Mar 30, 2016	Group: Database references
Revision 1.2	Apr 6, 2016	Group: Database references
Revision 1.3	Dec 28, 2016	Group: Structure summary
Revision 1.4	Sep 6, 2017	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Jan 10, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

A: Mycocerosic acid synthase

B: Mycocerosic acid synthase

C: Mycocerosic acid synthase

D: Mycocerosic acid synthase

E: Mycocerosic acid synthase

F: Mycocerosic acid synthase

G: Mycocerosic acid synthase

H: Mycocerosic acid synthase

I: Mycocerosic acid synthase

J: Mycocerosic acid synthase

K: Mycocerosic acid synthase

L: Mycocerosic acid synthase

M: Mycocerosic acid synthase

N: Mycocerosic acid synthase

O: Mycocerosic acid synthase

P: Mycocerosic acid synthase

Q: Mycocerosic acid synthase

R: Mycocerosic acid synthase

hetero molecules

Summary:

• 2.2 MDa, 18 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	2,199,540	48
Polymers	2,177,238	18
Non-polymers	22,302	30
Water	0	0

1

A: Mycocerosic acid synthase

B: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 245 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,889	6
Polymers	241,915	2
Non-polymers	2,974	4
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	9690 Å2
ΔGint	-40 kcal/mol
Surface area	84970 Å2
Method	PISA

2

C: Mycocerosic acid synthase

D: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 245 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,889	6
Polymers	241,915	2
Non-polymers	2,974	4
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	9450 Å2
ΔGint	-40 kcal/mol
Surface area	85370 Å2
Method	PISA

3

E: Mycocerosic acid synthase

F: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 244 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,146	5
Polymers	241,915	2
Non-polymers	2,230	3
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	8600 Å2
ΔGint	-37 kcal/mol
Surface area	83250 Å2
Method	PISA

4

G: Mycocerosic acid synthase

H: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 245 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,889	6
Polymers	241,915	2
Non-polymers	2,974	4
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	9190 Å2
ΔGint	-38 kcal/mol
Surface area	83360 Å2
Method	PISA

5

I: Mycocerosic acid synthase

J: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 244 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,146	5
Polymers	241,915	2
Non-polymers	2,230	3
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	8420 Å2
ΔGint	-40 kcal/mol
Surface area	67360 Å2
Method	PISA

6

K: Mycocerosic acid synthase

L: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 244 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,146	5
Polymers	241,915	2
Non-polymers	2,230	3
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	8470 Å2
ΔGint	-33 kcal/mol
Surface area	77450 Å2
Method	PISA

7

M: Mycocerosic acid synthase

N: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 245 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,889	6
Polymers	241,915	2
Non-polymers	2,974	4
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	8930 Å2
ΔGint	-36 kcal/mol
Surface area	82660 Å2
Method	PISA

8

O: Mycocerosic acid synthase

P: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 244 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,146	5
Polymers	241,915	2
Non-polymers	2,230	3
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	8510 Å2
ΔGint	-37 kcal/mol
Surface area	65360 Å2
Method	PISA

9

Q: Mycocerosic acid synthase

R: Mycocerosic acid synthase

hetero molecules

Summary:

• defined by author&software
• 243 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	243,402	4
Polymers	241,915	2
Non-polymers	1,487	2
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	7620 Å2
ΔGint	-41 kcal/mol
Surface area	48510 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	151.380, 190.370, 270.840
Angle α, β, γ (deg.)	95.58, 91.92, 103.65
Int Tables number	1
Space group name H-M	P1

Components

#1: Protein

A B C D E F G H I J K L M N O P Q R
Mycocerosic acid synthase

Details:

Mass: 120957.656 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium smegmatis (bacteria) / Strain: ATCC 700084 / mc(2)155 / Cell line: Mybobacterium / Gene: MSMEG_4727 / Plasmid: pNIC28-Bsa4
Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
References: UniProt: A0R1E8, mycocerosate synthase

#2: Chemical

A-3001 A-3002 B-3001 B-3002 C-3001 C-3002 D-3001 D-3002 E-3001 F-3001 F-3002 G-3001 G-3002 H-3001 H-3002 I-3001 J-3001 J-3002 K-3001 K-3002 ...
ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

Details:

Mass: 743.405 Da / Num. of mol.: 30 / Source method: obtained synthetically / Formula: C₂₁H₂₈N₇O₁₇P₃

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION

Sample preparation

• Crystal: Density Matthews: 3.04 ų/Da / Density % sol: 59.51 %
• Crystal grow: Temperature: 277.15 K / Method: vapor diffusion, sitting drop / pH: 7 ; Details: Crystallization condition: 0.052 M MgCl2, 0.052 M CaCl2, 5.88% (w/v) PEG 3350, 20 % (v/v) ethylene glycol, 0.05 M MES pH 7.0 Protein/buffer: 20.3 mg/ml protein, 1.5 mM NADP+, 0.02 mM HEPES pH 7.4, 0.25 M NaCl, 5 % (v/v) Glycerol, 0.005 M DTT. Seeding

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 0.97626 Å
• Detector: Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Dec 19, 2013
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.97626 Å / Relative weight: 1
• Reflection: Resolution: 3.75→78.62 Å / Num. obs: 296164 / % possible obs: 99.9 % / Redundancy: 9 % / B_iso Wilson estimate: 132.22 Ų / CC_1/2: 0.996 / R_merge(I) obs: 0.25 / Net I/σ(I): 8.95
• Reflection shell: Resolution: 3.75→3.85 Å / Redundancy: 9.26 % / R_merge(I) obs: 3.159 / Num. unique all: 21835 / CC_1/2: 0.449 / % possible all: 98.9

Processing

Software

Name	Version	Classification
BUSTER	2.10.2	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 2FR0, 5bp2, 2vz9

2fr0

5bp2

2vz9

Resolution: 3.75→78.62 Å / Cor.coef. F_o:F_c: 0.8883 / Cor.coef. F_o:F_c free: 0.9075 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R_free Blow DPI: 0.573

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.2401	2985	1.01 %	thin shell
Rwork	0.2298	-	-	-
obs	0.2299	296153	98.96 %	-

Displacement parameters

B_iso mean: 171.34 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	7.536 Å2	23.653 Å2	-9.3253 Å2
2-	-	-12.9181 Å2	0.4492 Å2
3-	-	-	5.3821 Å2

• Refine analyze: Luzzati coordinate error obs: 0.538 Å

Refinement step

Cycle: LAST / Resolution: 3.75→78.62 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	131922	0	1192	0	133114

Refine LS restraints

Refine-ID	Type	Dev ideal	Number	Restraint function	Weight
X-RAY DIFFRACTION	t_bond_d	0.008	265384	HARMONIC	2
X-RAY DIFFRACTION	t_angle_deg	0.97	479085	HARMONIC	2
X-RAY DIFFRACTION	t_dihedral_angle_d		75094	SINUSOIDAL	2
X-RAY DIFFRACTION	t_incorr_chiral_ct
X-RAY DIFFRACTION	t_pseud_angle
X-RAY DIFFRACTION	t_trig_c_planes		3029	HARMONIC	2
X-RAY DIFFRACTION	t_gen_planes		41120	HARMONIC	5
X-RAY DIFFRACTION	t_it		265384	HARMONIC	20
X-RAY DIFFRACTION	t_nbd
X-RAY DIFFRACTION	t_omega_torsion	2.73
X-RAY DIFFRACTION	t_other_torsion	2.87
X-RAY DIFFRACTION	t_improper_torsion
X-RAY DIFFRACTION	t_chiral_improper_torsion		17799	SEMIHARMONIC	5
X-RAY DIFFRACTION	t_sum_occupancies
X-RAY DIFFRACTION	t_utility_distance
X-RAY DIFFRACTION	t_utility_angle
X-RAY DIFFRACTION	t_utility_torsion
X-RAY DIFFRACTION	t_ideal_dist_contact		293670	SEMIHARMONIC	4

LS refinement shell

Resolution: 3.75→3.85 Å

	Rfactor	Num. reflection	% reflection
Rfree	0.2645	199	1 %
Rwork	0.253	21621	-
obs	-	-	98.84 %

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	2.6884	1.3548	-1.6749	5.2498	-2.6535	4.8454	-0.0355	0.3602	0.6185	-0.5825	0.4008	0.0026	-0.0743	-0.0188	-0.3653	-0.1296	-0.0602	-0.0911	-0.1755	0.1078	-0.1145	-28.1	-4.1383	0.2974
2	1.9405	0.8266	-0.975	0.2575	-0.1236	1.1613	-0.0245	0.3666	-0.0379	-0.3693	0.0316	0.3078	-0.2991	-0.4564	-0.0071	0.4504	-0.0004	-0.0102	0.4241	-0.1969	-0.4247	-17.0801	-33.9869	-56.3906
3	2.4786	-0.1465	-1.3175	2.3863	0.2189	4.0049	-0.1556	0.3301	-0.4778	-0.2569	0.111	-0.3097	0.4499	0.0398	0.0446	-0.0615	0.0369	0.025	-0.1756	-0.186	-0.0631	-10.0341	-46.1935	10.5059
4	4.1469	2.9971	-0.2764	2.9144	1.0472	3.1557	0.0682	0.145	0.5346	-0.5765	0.1468	-0.4129	-0.9971	0.2279	-0.2151	0.6181	-0.3876	0.3868	0.1285	-0.2879	-0.6213	1.9057	-23.7112	-36.8915
5	5.7531	2.2936	-1.6282	2.7412	-1.0487	3.4997	-0.0176	-0.1036	0.1206	0.2652	0.2037	0.4058	0.1513	-0.2201	-0.1861	-0.1786	0.1039	-0.0631	-0.1432	0.1596	-0.0629	-59.5673	-26.8131	30.2541
6	3.6831	-0.6938	-1.8092	6.0806	0.9605	5.5987	0.0325	0.1917	0.465	0.3474	-0.1327	0.5047	-0.9417	-0.2731	0.1002	0.3147	0.3035	0.2559	-0.3897	0.0663	-0.0739	-63.3264	0.9441	82.7356
7	2.3051	0.4593	-0.2288	1.9037	-0.563	4.2293	0.0505	-0.3396	0.095	0.1592	0.011	-0.0374	0.0485	0.0584	-0.0615	-0.201	0.0716	-0.0849	-0.0234	-0.0879	-0.1064	-14.3028	-24.774	43.3257
8	1.7555	0.6655	-1.4825	5.2056	-1.8696	4.3429	0.2602	0.1967	-0.3155	-0.4295	-0.162	0.411	0.1912	-0.5316	-0.0982	-0.1052	0.0942	-0.0435	0.1569	-0.1611	-0.2054	-56.31	-26.9376	79.2224
9	4.0059	1.8978	-1.3656	7.4606	-4.9319	6.7353	-0.0215	0.0239	-0.3246	-0.5125	0.1464	-0.5292	0.6073	0.5602	-0.1249	-0.2821	0.0943	-0.0765	-0.5237	-0.2613	0.1231	-44.8362	47.33	89.7223
10	4.5154	2.0216	0.666	1.4505	1.1349	6.0405	-0.0238	0.5814	-0.4161	-0.2335	-0.039	0.5422	-0.1553	-0.447	0.0628	-0.0129	0.1767	-0.0119	-0.1431	-0.1644	0.1888	-36.4611	14.4784	39.1676
11	2.8051	0.2746	-0.977	2.9385	0.7373	4.0293	-0.0488	0.2642	-0.2774	-0.5011	0.1503	-0.4691	-0.0122	0.055	-0.1015	-0.111	-0.0216	0.0536	-0.3253	-0.0115	0.0227	-26.5678	5.6487	105.9006
12	8.0521	1.3661	-1.2764	3.8755	0.49	2.8451	0.1159	-0.2792	0.5583	0.1912	0.0103	0.2525	-0.5084	0.1056	-0.1262	0.3422	0.0409	0.3462	-0.506	-0.1653	-0.091	-16.3146	25.885	56.5769
13	12.8015	5.6402	-5.296	4.8321	-3.1878	6.0323	-0.0454	-0.8175	0.2314	0.3821	-0.1566	0.014	0.4707	0.5497	0.202	0.0792	0.1636	-0.2555	-0.7698	-0.0068	-0.1102	-73.9461	23.8129	121.0148
14	1.7552	-2.9351	-1.4404	4.293	-1.1359	-0.3728	0.0281	0.0238	0.4764	0.1305	-0.1766	0.2235	-0.38	-0.1313	0.1485	0.3917	0.0436	-0.1248	0.0483	-0.2995	-0.2008	-82.717	55.7734	171.673
15	2.3571	1.4655	0.4093	4.127	1.1316	3.7709	0.386	-0.4033	0.1232	0.5462	-0.3528	-0.086	0.043	-0.2931	-0.0332	-0.0763	-0.0864	-0.0874	-0.2856	0.0559	-0.1793	-30.5082	28.4689	138.0123
16	1.7891	0.653	-1.2648	4.3749	-1.3293	5.987	-0.0954	-0.1763	-0.1067	-0.0494	-0.1138	0.1426	0.0384	-0.3736	0.2091	0.0383	-0.1651	0.0717	0.0591	-0.1947	-0.3182	-74.3333	28.0532	170.2525
17	6.9264	3.4699	-3.4423	4.2431	-1.0907	4.9386	0.4328	-0.7057	0.9816	0.1168	-0.0306	0.7518	-0.1379	0.322	-0.4022	-0.0554	-0.0625	0.0143	-0.2911	-0.1824	-0.1163	-94.6307	78.2873	205.9675
18	-1.3069	2.8794	0.4728	2.4281	-0.6501	-0.0817	-0.0416	0.1541	0.1147	0.0926	0.0147	0.2677	-0.3948	-0.3545	0.0269	0.2297	0.252	0.0274	0.0138	0.0447	-0.0899	-106.9711	107.406	264.5275
19	3.1498	1.1799	-0.6824	2.9753	1.4027	6.5178	0.3765	-0.5626	0.2165	0.6938	-0.3893	-0.0527	0.0777	0.2901	0.0128	-0.0301	-0.5884	-0.0266	0.6184	-0.2815	-0.7884	-53.1977	85.8184	229.5835
20	1.1055	-0.0189	-0.6217	4.0235	-2.159	6.2984	-0.0372	0.0808	-0.253	0.0193	0.0482	0.2546	0.1529	-0.1313	-0.0109	0.0581	-0.2167	0.1561	-0.0665	-0.3939	-0.192	-96.7404	80.6502	260.3796
21	4.2227	2.3316	-2.2019	6.0386	-3.7026	6.2418	0.3052	-0.1454	0.5447	-0.8098	0.2388	-0.3152	-0.0717	0.5607	-0.544	-0.0021	-0.0985	0.5047	-0.4292	-0.3165	0.0584	-64.0557	100.9625	176.0598
22	7.1464	1.9727	0.7763	1.5942	-0.1912	5.3982	-0.2283	0.3901	0.1451	-0.3089	0.2087	0.47	-0.0948	-0.3814	0.0196	-0.0298	0.0558	-0.1494	-0.0668	-0.1509	0.0338	-52.3977	66.8683	130.606
23	3.4302	0.2164	-0.7594	2.4546	1.1088	2.8773	0.366	-0.2913	-0.3629	0.3249	-0.3824	-0.5322	0.4559	0.0796	0.0165	-0.2357	-0.1578	-0.095	0.3157	-0.0728	-0.3872	-47.2701	62.7165	198.4029
24	6.8725	1.3043	-2.1554	3.0126	0.3274	3.2218	-0.0566	-0.7475	0.913	-0.2844	-0.125	0.1966	-0.2404	-0.1026	0.1816	0.1472	0.312	-0.0275	-0.2154	-0.2284	-0.1301	-32.4868	79.4194	148.0926
25	4.5497	1.574	0.0777	5.017	2.8359	7.1918	-0.5812	0.0276	-0.0815	-0.3496	0.2337	0.0668	0.1704	-0.0986	0.3475	0.1725	-0.1243	0.2336	-0.4258	-0.1378	-0.4055	-107.9616	4.412	177.4049
26	4.8286	1.1509	-2.5176	0.3477	0.0291	6.5503	0.0109	0.0918	0.2399	-0.5429	-0.07	-0.5172	0.0803	-0.162	0.0592	0.1385	0.1187	-0.0193	-0.0448	0.4281	-0.0545	-125.5614	36.5918	130.7115
27	3.0673	-1.1047	1.9243	2.4191	-1.4498	3.4305	0.0213	0.3029	0.1262	-0.1018	0.0651	0.6997	-0.11	0.0789	-0.0863	-0.1638	0.0293	-0.2851	0.0167	-0.076	-0.0962	-124.664	42.9612	199.4833
28	5.2744	1.011	0.0506	3.9086	-1.233	3.2764	0.1217	0.1737	-0.4166	-0.2268	-0.3328	0.3079	0.239	-0.2183	0.211	-0.0112	-0.0174	-0.3592	0.1222	0.1156	-0.323	-143.0881	25.9662	151.1663
29	6.6152	2.5729	1.3594	2.7667	0.5198	4.4379	-0.0243	-0.4212	-0.2369	0.289	-0.2711	-0.308	-0.0951	0.2797	0.2954	0.1479	0.0232	-0.0524	-0.0263	-0.0706	-0.475	-77.4297	27.7465	206.9417
30	5.7977	-0.9842	1.1854	6.2724	-0.5588	2.0445	-0.1063	0.2385	-0.206	-0.3087	-0.0831	-0.1151	0.3606	-0.0625	0.1894	-0.2105	-0.0413	-0.092	0.1928	0.4846	-0.2296	-70.9742	-14.398	254.9318
31	5.1722	-1.0811	3.655	4.4348	-1.3309	6.4353	-0.0167	-1.0755	-1.3223	0.2468	0.6574	1.2375	-0.1529	-0.314	-0.6408	-0.4612	0.1963	0.1508	-0.1328	0.2559	-0.066	-118.2903	19.8744	230.735
32	1.9704	0.6454	0.2178	5.9824	-0.2811	0.4435	0.0169	-0.5138	0.4283	-0.014	-0.0328	-0.2375	-0.3003	0.0409	0.0159	-0.1374	0.0382	-0.2365	0.3452	0.3825	-0.1126	-71.9588	15.0354	257.2091
33	5.8183	2.2952	3.8018	4.262	3.413	5.2441	-0.3624	0.6252	-0.1897	-0.5392	0.6339	0.1018	-0.8125	0.4092	-0.2714	-0.102	-0.2489	0.3119	-0.0466	-0.3333	-0.2903	-76.0098	-100.0834	-0.7391
34	3.1117	0.0487	1.9383	2.537	-1.0825	3.4742	-0.3567	0.5797	0.3513	-0.5306	0.264	0.2458	-0.0422	-0.2818	0.0927	-0.1573	-0.116	-0.1069	0.019	0.136	-0.1624	-91.2999	-60.5336	22.0481
35	10.224	4.71	1.5358	4.6948	2.7511	4.6166	0.156	-1.0024	-0.4435	0.3673	-0.6703	-0.2479	0.3097	-0.7968	0.5143	-0.0835	-0.0218	0.0881	-0.457	-0.0805	-0.1178	-42.6338	-79.4963	28.1547
36	6.9802	0.6228	1.7747	7.0281	-0.4375	1.2635	-0.1702	0.3233	-0.3139	-0.4312	-0.0125	-0.0097	0.3252	0.0716	0.1828	-0.3876	0.1599	-0.0181	0.2653	0.3753	-0.1238	-35.4435	-119.8086	77.2597
37	3.7852	0.6694	0.99	2.8817	-0.2489	5.9185	-0.3933	-0.1884	-0.556	-0.0825	0.1241	-0.1733	0.2538	-0.0483	0.2693	-0.2608	0.0849	0.1733	-0.3112	0.0476	-0.0141	-83.4391	-85.3471	51.6399
38	1.3907	1.0416	0.3594	4.5446	-0.8589	1.1771	-0.1042	-0.2853	0.452	0.1232	0.1311	-0.1638	-0.2797	0.2213	-0.0269	-0.3292	0.2244	-0.3447	0.3115	0.3611	0.1691	-36.5169	-90.8746	77.8379
39	2.3934	1.2065	1.183	4.4619	2.1626	4.5672	-0.1687	0.1279	-0.1105	-0.2488	0.0742	0.0252	0.0131	-0.1208	0.0945	0.0249	-0.0996	0.0329	-0.1193	-0.0024	-0.2613	-91.9875	-49.2332	89.8832
40	6.0626	1.2662	-2.166	3.3175	-1.3501	7.5789	-0.004	-0.1828	0.3979	-0.5192	-0.0079	-0.2739	0.2514	-0.4207	0.012	-0.4094	0.1501	-0.1019	0.1377	0.1262	-0.2417	-109.2114	-15.2278	36.6517
41	2.5626	-0.4087	1.156	1.9111	-0.5048	3.7547	-0.0237	0.2906	0.3097	0.1237	-0.0494	0.3663	-0.5832	-0.3929	0.073	-0.0087	0.0747	-0.1044	-0.2513	0.0145	-0.0356	-108.6064	-8.1929	104.613
42	6.3895	1.1724	-0.7836	2.736	-0.2555	4.1446	0.1308	-0.2881	-0.4015	-0.0863	-0.1162	0.1706	0.4778	-0.2666	-0.0145	-0.2183	-0.0281	-0.2651	0.2434	0.1793	-0.2656	-126.6968	-26.6255	56.6586
43	7.5868	2.6433	1.2852	3.1821	1.1394	3.4019	0.1349	-0.4283	-0.1171	0.4302	-0.1001	-0.3873	0.1162	0.0386	-0.0348	0.0068	-0.0677	-0.1214	-0.2637	0.026	-0.2832	-56.3732	-28.7379	116.1353
44	1.9778	0.681	-0.3022	1.5029	0.669	4.8781	-0.0561	-0.2862	-0.0678	0.5639	-0.1671	0.1569	0.1097	0.0808	0.2231	0.2716	-0.0651	0.0739	-0.3158	-0.0295	-0.263	-100.1787	-31.293	135.3609
45	0.6294	0.1775	1.5601	3.3795	0.6102	0.9418	-0.0288	-0.4723	0.309	0.2964	0.0782	-0.1814	-0.0981	-0.3629	-0.0494	-0.0159	0.168	-0.1111	0.2378	0.1299	-0.2028	-56.9949	-37.8513	169.9849
46	2.4161	-0.8263	-0.7288	9.5821	2.9492	4.39	0.317	0.1617	0.4154	-0.7125	-0.3644	0.6096	0.1164	-0.2795	0.0474	0.0847	-0.1564	-0.0517	-0.4091	-0.0048	-0.2385	-108.5757	-123.0975	39.1382
47	2.51	-1.0312	-2.7054	7.2256	1.2628	6.8203	0.0496	-0.0244	0.1524	-0.1386	-0.0361	0.1375	0.0047	-0.3813	-0.0135	-0.4536	0.2664	-0.0243	0.2419	0.143	-0.0264	-162.6171	-102.013	48.8573
48	4.6356	-2.7515	-0.0012	5.5087	0.1591	1.6811	-0.1605	-0.1607	-0.1499	0.2323	0.2049	0.6441	0.1031	-0.0949	-0.0444	-0.1674	-0.0236	-0.1361	-0.1694	0.1303	-0.0822	-128.9745	-139.1563	-0.299
49	3.9203	-0.346	-1.5952	6.158	-0.0564	1.568	0.0514	0.3799	0.6612	-0.7872	0.1544	-0.0816	-0.7966	0.0008	-0.2058	0.1579	0.377	0.3956	-0.1083	0.3213	-0.1401	-145.4563	-94.5711	26.8082
50	2.2916	-0.1799	0.5518	14.0944	-0.1426	3.3398	-0.0359	0.1725	-0.486	-1.2632	0.0211	-0.9888	-0.7229	0.486	0.0149	-0.0494	-0.2069	0.2136	-0.3459	-0.1852	-0.2959	-98.2106	-170.1987	31.6395
51	7.0946	-1.0465	2.0087	6.2884	-0.0495	2.2776	-0.0955	0.2481	0.3746	-0.1442	-0.1772	-0.1341	-0.5576	0.2488	0.2727	-0.3103	0.14	0.1054	-0.1427	0.1851	-0.0212	-36.9727	-179.8039	12.7528
52	3.9999	-2.4642	-1.3852	5.2871	0.9682	2.7473	0.0228	-0.0975	0.5908	0.0442	0.0885	-0.8815	0.2341	0.366	-0.1113	-0.3621	0.1064	-0.2387	0.0213	-0.0926	-0.116	-90.7341	-144.1197	-7.5914
53	2.8481	0.066	0.641	4.1748	-0.5998	2.8744	0.0165	0.2017	-0.4267	-0.5593	-0.0938	0.3637	0.6062	-0.3717	0.0773	-0.0914	0.2051	-0.0519	0.0164	-0.0038	0.0797	-60.8264	-189.9894	-0.1228
54	2.0258	0.0797	-0.2097	8.3239	2.6391	2.604	0.2252	-0.1123	0.1791	0.246	-0.2315	0.5261	-0.1231	-0.0781	0.0063	0.1753	-0.0531	0.224	-0.3808	-0.0051	-0.1624	-124.2627	-70.3739	125.9821
55	3.9412	-0.9143	0.3529	3.3578	-0.1349	2.0141	-0.1782	0.2764	-0.0213	-0.1	0.1486	0.8108	-0.1283	-0.3336	0.0296	-0.1637	0.0016	-0.1469	-0.3043	0.0626	0.1487	-147.2468	-87.9994	89.5959
56	1.5571	-0.9195	0.1373	8.4793	-1.7633	2.8614	0.0455	-0.1688	-0.3714	0.0469	-0.1466	-0.3196	0.0472	0.233	0.1012	0.0365	-0.0126	0.0448	-0.4073	0.0305	-0.0303	-113.5377	-118.1841	124.4255
57	6.5963	0.2953	1.0467	5.5967	-0.3661	1.943	-0.0172	-0.0822	-0.3402	0.5735	-0.0572	-0.1122	-0.1526	0.1881	0.0745	-0.1937	0.1946	0.1132	-0.2063	0.2844	0.1765	-54.0899	-129.5437	104.9276
58	3.1601	-0.7523	-1.1785	3.0981	0.7391	2.6648	-0.1938	0.1966	-0.2251	-0.2893	0.1326	-0.1502	-0.1923	0.2386	0.0612	-0.0818	-0.1102	0.016	-0.1698	-0.0696	-0.1337	-108.4822	-92.6525	84.5536
59	4.186	0.4933	0.6974	4.8789	0.279	1.5782	0.0456	0.1193	-0.6246	-0.1642	-0.1682	0.3337	0.6677	-0.1478	0.1225	-0.1169	0.0621	0.4029	-0.4479	-0.0433	0.5169	-78.8019	-138.9057	92.9819
60	3.3748	-1.4122	-1.1221	8.5026	3.4122	6.297	-0.2056	0.5107	-0.0906	-0.0202	-0.1848	0.2211	0.0023	-0.1059	0.3904	-0.0131	-0.1554	0.1025	-0.3353	-0.0857	-0.2664	-143.1171	-17.9388	216.1601
61	8.4683	0.7791	-1.9095	3.086	-2.0776	0.462	-0.1844	0.1151	0.1986	-0.3934	0.0081	0.1312	0.0978	-0.3581	0.1762	0.2506	-0.2502	0.4835	-0.7699	-0.3809	0.6063	-159.9423	-38.5292	172.0598
62	1.8096	0.8698	0.806	9.6196	0.191	5.0979	0.588	-0.9135	0.2088	-0.2679	-0.5353	-0.644	-0.4681	0.8174	-0.0527	-0.1927	-0.7209	0.4666	0.6022	-0.2411	-0.5605	-131.257	-63.6593	209.3709
63	11.7265	5.9613	-4.4922	12.956	-3.7419	1.7293	0.1498	0.1172	-0.099	1.0398	-0.2303	0.6038	-0.3376	0.3281	0.0805	0.2951	-0.2652	0.5465	-0.506	-0.3597	-0.399	-120.1991	-40.3264	171.2305
64	1.4302	0.1222	0.0737	-0.0274	2.1656	2.7957	-0.0105	-0.0538	0.0308	0.0419	-0.009	-0.0484	0.0305	0.0036	0.0196	0.0801	0.0382	-0.1198	0.1463	-0.0439	0.1295	-61.297	2.5069	11.4529
65	1.7647	-0.3941	0.9712	2.8182	-1.1945	0.1872	-0.0048	-0.0534	0.0528	0.0847	0.0167	-0.0015	-0.0421	-0.0069	-0.0119	0.1569	0.1281	0.1447	0.1003	-0.161	0.0893	-13.0127	-19.5042	-18.5478
66	1.8043	-0.9436	-4.7701	-0.7367	3.3105	6.1791	0.0075	-0.0058	0.0081	-0.0951	-0.0268	0.0677	-0.0197	-0.0606	0.0193	0.0308	0.0077	0.2792	0.1756	-0.2496	-0.192	-6.0947	-39.2987	-21.7649
67	1.8757	2.9452	0.2722	0.7474	2.7807	6.488	-0.0005	-0.0101	-0.1568	0.0572	0.0163	-0.1098	0.1014	0.0582	-0.0158	0.1712	-0.1734	0.0693	0.0688	-0.1058	-0.143	0.0128	-41.5567	-18.1916
68	-0.0005	1.0225	-0.3228	2.9984	1.1003	2.5383	-0.0251	-0.0103	-0.0202	0.0523	0.0243	-0.0965	0.0289	0.0589	0.0007	0.307	-0.0647	-0.0643	0.0546	0.2382	0.0477	-58.1065	-0.9018	-0.4771
69	-0.1073	0.5939	0.0115	1.5049	-0.5515	2.1617	-0.0007	0.0257	-0.0086	-0.0421	0.0142	-0.0992	0.0221	-0.0258	-0.0135	0.1722	0.0529	0.0246	0.3332	-0.0557	-0.2082	-52.4208	-27.2519	55.7864
70	1.1252	-0.3479	-3.7278	-0.1895	1.8996	5.5989	0.0022	-0.0281	0.096	0.069	0.0165	0.1181	-0.0204	0.0313	-0.0187	0.2262	0.0636	0.0383	0.1784	-0.1163	-0.2517	-37.0266	-20.0768	67.3681
71	2.161	-2.2409	-3.2628	3.9821	1.8017	4.6286	-0.0251	-0.0464	-0.07	0.0491	0.0422	-0.0044	-0.1125	-0.014	-0.0171	0.0339	0.1012	0.2868	0.3394	-0.0244	-0.1273	-31.8173	-24.5431	69.6402
72	2.6507	-1.1628	0.8744	0.7327	2.5629	1.6353	0.0379	-0.0474	-0.0237	-0.0189	-0.0437	0.0086	0.0434	0.0178	0.0057	-0.1707	0.2627	-0.0538	0.2241	-0.0911	0.2504	-78.8215	52.4227	102.7325
73	2.016	-0.2569	-0.6941	0.9741	-0.5019	0.7082	0.0028	-0.0174	0.0395	0.0387	-0.0004	-0.0335	-0.06	-0.0106	-0.0024	0.1413	0.1139	0.3168	0.0714	-0.2236	0.2187	-29.3909	30.7936	75.5973
74	0.2505	0.7932	-4.2813	1.1925	1.7133	5.4223	-0.0128	0.0249	0.0012	-0.0432	0.0328	0.059	0.0339	-0.0323	-0.02	0.1462	0.0068	0.2427	0.0053	-0.2122	-0.0971	-22.7998	10.9883	73.5856
75	3.7295	-1.3173	-3.0667	0.4902	0.9245	3.1008	0.0292	0.0176	-0.0225	0.0026	-0.0233	-0.0634	-0.0363	0.015	-0.0059	0.0744	0.1016	0.3199	0.1408	-0.0298	0.0386	-16.5121	9.1159	76.8134
76	1.0637	-0.4136	-1.6868	2.0026	-0.6028	1.5236	-0.0069	-0.006	-0.0516	0.0388	-0.017	-0.0079	-0.0107	0.0841	0.0239	0.0195	0.0254	-0.0388	0.2099	0.195	0.071	-75.1628	48.5743	90.3632
77	0.5714	0.6025	-0.2886	0.3328	-0.4101	1.4488	0.0003	0.0524	-0.0488	-0.0234	0.0057	-0.0325	0.0349	0.0074	-0.006	0.2909	-0.1582	-0.058	0.1434	-0.0037	-0.092	-68.2735	26.4066	147.4365
78	2.0885	-2.3709	-2.6251	-0.9051	3.927	4.5936	-0.0039	0.0016	0.0288	0.093	0.035	0.0549	-0.0055	0.0316	-0.0311	0.2587	-0.1448	0.1651	0.106	-0.1896	-0.3608	-53.665	34.6972	160.1709
79	0.7317	-0.9984	-1.294	2.9616	1.23	5.9179	-0.0078	-0.0439	-0.0564	0.0708	0.0319	-0.0443	0.0599	0.0354	-0.0241	0.1518	-0.1386	0.0712	0.1879	-0.0661	-0.0836	-48.7985	30.4427	162.9999
80	0.0761	-0.2582	-0.2737	2.0763	-1.408	0.257	0.0239	0.0114	0.0233	-0.0878	-0.0575	-0.0246	0.0372	0.0046	0.0337	0.1783	-0.0083	0.045	0.1679	-0.0087	-0.1028	-92.7939	81.2554	236.9657
81	1.2487	-2.0117	-2.0004	-2.2706	5.3708	2.8247	0.0095	-0.061	0.0478	0.0456	0.0327	0.1348	-0.0029	0.0579	-0.0421	0.1564	-0.1688	0.0308	0.1175	-0.1859	-0.2335	-78.4934	90.4788	250.3126
82	1.4346	-0.9941	-3.0982	-0.6027	1.8287	0.2887	-0.014	0.0221	-0.0457	0.0218	0.0112	0.0176	-0.0185	0.0353	0.0027	0.0397	-0.1314	0.0424	0.0013	-0.0819	0.0206	-72.9057	86.575	252.6878
83	0.8076	-0.6089	-0.2344	0.8386	-0.0837	0.2982	0.0174	-0.0234	-0.0497	0.0306	-0.0285	-0.0232	-0.0345	-0.0081	0.0111	0.0515	0.1048	0.0818	0.0977	-0.0805	0.1247	-46.106	85.3504	166.5227
84	2.2287	-2.6827	-2.7413	-1.8735	4.8318	5.2895	-0.0074	0.0228	0.037	-0.0208	0.0164	0.0685	-0.032	-0.0539	-0.009	-0.0173	0.1108	0.212	0.1775	-0.2027	-0.0074	-39.859	65.6615	166.3596
85	0.3526	0.0817	0.3533	0.9444	2.185	1.7502	0.0326	-0.0385	-0.028	0.0114	-0.0196	-0.0319	0.0048	-0.0453	-0.0129	0.0032	0.142	0.1056	0.2152	0.0382	0.0441	-33.982	63.9866	170.0883
86	0.204	-0.2114	0.9988	0.0408	-0.5916	1.0088	-0.0094	-0.005	-0.0237	0.0765	0.0297	-0.0144	0.04	0.0662	-0.0202	0.1658	0.0449	-0.2093	0.0469	0.1341	0.07	-127.3778	19.2034	167.2655
87	1.4942	-0.8287	4.3895	0.6638	-0.7408	3.7176	-0.0294	0.0341	0.0506	0.0323	0.0439	0.0421	-0.0278	-0.0131	-0.0145	-0.1454	0.0125	-0.3421	0.1364	0.1954	0.0386	-132.7485	38.9601	167.2934
88	-1.3778	3.0939	2.6007	2.5269	-4.0609	4.4549	-0.0484	0.0074	0.0457	0.1049	0.0348	0.0087	0.0493	0.0089	0.0136	0.1172	0.0241	-0.3533	0.1103	0.078	0.0195	-138.1348	41.0175	171.7573
89	0.2749	-0.6547	0.1325	0.3314	0.1551	0.8506	0.0134	0.0059	0.0163	-0.0085	-0.0396	0.0174	-0.027	-0.0239	0.0262	0.143	-0.0342	0.0102	0.0838	0.3047	0.0306	-79.1288	20.7714	235.3348
90	2.2684	-4.4935	4.5149	-0.6739	-4.4146	3.5891	-0.0179	-0.0153	-0.0368	0.0834	0.0246	-0.1021	-0.0126	-0.0605	-0.0067	0.0654	-0.0951	-0.0537	0.1786	0.2458	-0.0913	-93.9021	13.2299	249.8241
91	1.0202	-0.4286	3.3094	1.6031	-2.5584	0.4047	-0.0342	0.0118	0.0682	0.1029	0.0143	-0.0134	0.0684	-0.0387	0.0199	-0.0862	0.1438	-0.1008	0.2421	0.1076	-0.0428	-97.65	17.6694	253.8528
92	0.9689	0.0916	1.15	-0.0807	0.9089	0.6372	0.0151	0.0011	-0.0079	-0.002	-0.0098	0.002	0.0037	0.0053	-0.0053	0.073	-0.0017	0.0106	0.1374	-0.0945	0.1633	-94.0446	-83.4426	-11.1763
93	0.3395	-2.0893	5.6752	0.7813	-2.2314	3.955	-0.0255	-0.0207	-0.0156	-0.0522	-0.0071	-0.0915	0.0089	-0.0196	0.0325	0.11	-0.1344	-0.2781	0.0788	0.1608	-0.0545	-99.9403	-63.0826	-9.8601
94	1.7733	-0.8672	2.0002	0.3774	-0.8094	0.045	0.0129	-0.0484	-0.0173	0.0399	-0.0053	0.0439	-0.0037	-0.0432	-0.0076	-0.0278	0.0162	-0.2055	0.195	0.0203	-0.0631	-105.3194	-60.4476	-5.4325
95	1.3074	1.7885	-0.2636	1.0418	0.0055	0.4103	0.0108	0.0154	0.0202	-0.0494	-0.0015	0.0301	-0.0441	0.0114	-0.0093	0.1252	-0.045	0	0.0816	0.2453	0.0481	-44.6482	-86.2896	56.0527
96	1.1968	-3.1565	3.3445	0.1302	-1.2573	1.4765	-0.006	-0.0053	-0.0374	0.051	0.0106	-0.0788	0.008	0.0148	-0.0046	0.0459	0.1006	-0.1672	0.1283	0.1914	0.0614	-59.2889	-93.1612	71.1788
97	1.1592	-1.3441	1.392	2.8095	-2.6917	0.9375	-0.0372	0.0102	0.0429	0.1042	0.0106	0.0102	0.0818	0.0843	0.0266	-0.2632	0.2441	-0.0842	0.2034	0.1014	0.1343	-62.6342	-88.415	74.8591
98	4.2114	-0.3796	1.5133	1.4652	-0.7229	1.0703	-0.0309	0.0123	0.0476	0.1731	-0.0093	0.0247	0.039	0.0403	0.0403	0.1606	0.1224	-0.3157	0.2957	0.2511	0.0449	-110.8684	-33.4331	72.8769
99	1.3951	-1.5186	7.1702	1.6043	-3.1794	7.3297	-0.0049	0.0232	0.0958	0.0321	0.0003	0.0317	-0.0276	0.0866	0.0046	-0.1004	0.0654	-0.3693	0.3567	0.1009	-0.119	-116.7837	-13.456	72.5526
100	4.4671	2.173	1.4799	1.281	-2.1559	3.1121	-0.0145	0.0041	0.0352	0.1305	-0.0157	0.0818	-0.1613	-0.0434	0.0302	-0.0962	0.0889	-0.205	0.328	0.1283	0.0701	-122.2512	-11.1757	77.0734
101	2.9858	0.6537	-2.9419	2.7551	-0.3931	-0.3249	-0.0313	0.068	0.0272	-0.1215	-0.0187	0.0472	-0.2347	0.0383	0.05	0.1386	-0.0317	0.1443	0.2322	-0.0291	0.1085	-58.4147	-36.2899	148.9862
102	0.79	-0.5296	3.6309	1.835	-1.079	2.2159	0.0063	-0.0418	-0.0586	0.0195	-0.0132	-0.1551	0.0225	-0.0133	0.0069	0.1894	-0.1026	-0.2731	0.0379	0.1456	-0.0318	-76.4914	-37.4635	157.2145
103	0.4496	-1.4398	-0.8614	7.07	3.4409	3.5627	0.0012	-0.058	0.0235	0.0489	-0.0185	0.1474	0.0241	0.001	0.0174	0.1772	0.0282	-0.1513	0.001	-0.015	0.0004	-79.7361	-33.4916	159.7166
104	1.6086	0.8314	0.3082	2.7194	-0.6511	1.4218	-0.0097	-0.0008	-0.0208	0.0191	0.0161	-0.0326	0.0037	0.0533	-0.0064	-0.1098	0.1735	0.1066	0.2571	-0.0221	0.1839	-129.6502	-112.0608	27.8528
105	3.1048	-5.8579	0.1782	1.0955	3.6003	0.8227	-0.0011	-0.0047	0.0066	0.0389	0.0065	0.0647	-0.0089	-0.026	-0.0054	-0.045	0.1727	-0.0498	0.1864	-0.0488	0.2029	-147.0309	-117.2101	17.4023
106	2.769	-0.7043	-4.9821	0.2666	-0.5703	1.1774	-0.0113	0.1111	-0.0281	-0.0174	0.0157	0.065	-0.0192	-0.0626	-0.0045	-0.0516	0.0711	0.1089	0.0521	0.1765	0.0537	-147.1487	-116.2572	10.2882
107	1.3999	-0.3445	-1.2051	1.1957	0.4456	1.8777	0.0014	-0.0325	0.0096	-0.0073	0.0139	0.054	0.0024	-0.0022	-0.0152	0.0425	0.1529	0.1913	0.282	-0.0159	0.1227	-77.2267	-177.9878	11.9125
108	5.3933	-5.4277	0.0202	1.3848	2.284	1.2371	0.0736	-0.0493	-0.011	-0.0288	-0.0675	-0.1207	-0.0508	-0.0301	-0.0061	-0.0363	0.172	-0.048	0.1745	-0.0189	0.0933	-67.5696	-167.8249	-3.6538
109	3.6707	-1.8092	4.0716	0.6924	1.9336	1.9772	-0.0163	0.0875	0.0411	-0.1042	0.0687	-0.0024	-0.0747	0.0413	-0.0524	-0.0859	0.2164	-0.1223	0.1262	0.1158	0.1054	-69.9793	-167.6776	-9.9947
110	2.0783	-4.0226	0.19	-0.4162	0.3853	0.1288	0.0226	-0.0217	-0.0199	0.0496	-0.0628	0.0477	-0.0302	0.002	0.0401	-0.1089	0.3071	-0.0571	0.0332	0.0343	0.1684	-169.6086	-68.5001	101.5604
111	0.4399	-0.5017	-0.63	-0.2476	0.32	0.2416	-0.0321	0.0456	0.0408	0.0025	0.0455	-0.0087	0.0439	-0.0277	-0.0135	-0.0122	0.1405	0.13	-0.0503	0.0712	0.1583	-169.069	-69.9581	98.3048
112	1.9249	1.0827	0.1774	3.2379	-2.2221	2.7647	-0.0098	-0.0263	0.0286	-0.0025	-0.0279	0.0208	-0.0193	-0.1148	0.0377	-0.0004	-0.0243	0.3214	0.1563	0.0043	0.2768	-94.5567	-125.7779	104.9384
113	5.1783	-4.4666	-0.0509	-0.6329	1.2515	0.5101	0.0291	0.0551	-0.0278	0.0382	-0.0614	-0.0559	-0.059	-0.0139	0.0323	-0.0897	0.2075	0.283	0.0919	-0.1456	0.2127	-84.66	-116.1809	89.354
114	5.7647	-1.3588	1.0953	0.6929	3.5714	2.8464	-0.0219	0.1122	-0.0053	-0.0554	0.0781	-0.0189	-0.0235	0.0644	-0.0562	-0.0155	-0.1182	0.2537	-0.0697	-0.0992	0.2398	-87.4317	-116.1832	82.7808
115	-0.1568	0.2207	0.0527	0.6324	0.1883	0.1401	-0.0072	0.0071	0.0232	-0.0117	0.0142	0.011	0.0056	0	-0.007	0.169	-0.1121	0.0077	0.0497	-0.019	0.026	-109.471	-71.7306	193.5064
116	-0.5856	1.3155	0.9295	0.8667	0.4927	0.1507	-0.0036	-0.0152	-0.0087	0.0167	0.0298	0.0239	-0.0056	0.0366	-0.0261	0.026	-0.1171	0.2075	0.008	0.0009	0.0159	-96.5409	-60.3359	173.9135

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	{ A|896 - A|1176 }
2	X-RAY DIFFRACTION	2	{ A|1192 - A|1400 }
3	X-RAY DIFFRACTION	3	{ A|1419 - A|1746 }
4	X-RAY DIFFRACTION	4	{ A|1761 - A|2008 }
5	X-RAY DIFFRACTION	5	{ B|896 - B|1176 }
6	X-RAY DIFFRACTION	6	{ B|1192 - B|1400 }
7	X-RAY DIFFRACTION	7	{ B|1419 - B|1746 }
8	X-RAY DIFFRACTION	8	{ B|1761 - B|2008 }
9	X-RAY DIFFRACTION	9	{ C|896 - C|1176 }
10	X-RAY DIFFRACTION	10	{ C|1192 - C|1400 }
11	X-RAY DIFFRACTION	11	{ C|1419 - C|1746 }
12	X-RAY DIFFRACTION	12	{ C|1761 - C|2008 }
13	X-RAY DIFFRACTION	13	{ D|896 - D|1176 }
14	X-RAY DIFFRACTION	14	{ D|1192 - D|1400 }
15	X-RAY DIFFRACTION	15	{ D|1419 - D|1746 }
16	X-RAY DIFFRACTION	16	{ D|1761 - D|2008 }
17	X-RAY DIFFRACTION	17	{ E|896 - E|1176 }
18	X-RAY DIFFRACTION	18	{ E|1192 - E|1400 }
19	X-RAY DIFFRACTION	19	{ E|1419 - E|1746 }
20	X-RAY DIFFRACTION	20	{ E|1761 - E|2008 }
21	X-RAY DIFFRACTION	21	{ F|896 - F|1176 }
22	X-RAY DIFFRACTION	22	{ F|1192 - F|1400 }
23	X-RAY DIFFRACTION	23	{ F|1419 - F|1746 }
24	X-RAY DIFFRACTION	24	{ F|1761 - F|2008 }
25	X-RAY DIFFRACTION	25	{ G|896 - G|1176 }
26	X-RAY DIFFRACTION	26	{ G|1192 - G|1400 }
27	X-RAY DIFFRACTION	27	{ G|1419 - G|1746 }
28	X-RAY DIFFRACTION	28	{ G|1761 - G|2008 }
29	X-RAY DIFFRACTION	29	{ H|896 - H|1176 }
30	X-RAY DIFFRACTION	30	{ H|1192 - H|1400 }
31	X-RAY DIFFRACTION	31	{ H|1419 - H|1746 }
32	X-RAY DIFFRACTION	32	{ H|1761 - H|2008 }
33	X-RAY DIFFRACTION	33	{ I|896 - I|1176 }
34	X-RAY DIFFRACTION	34	{ I|1419 - I|1746 }
35	X-RAY DIFFRACTION	35	{ J|896 - J|1176 }
36	X-RAY DIFFRACTION	36	{ J|1192 - J|1400 }
37	X-RAY DIFFRACTION	37	{ J|1419 - J|1746 }
38	X-RAY DIFFRACTION	38	{ J|1761 - J|2008 }
39	X-RAY DIFFRACTION	39	{ K|896 - K|1176 }
40	X-RAY DIFFRACTION	40	{ K|1192 - K|1400 }
41	X-RAY DIFFRACTION	41	{ K|1419 - K|1746 }
42	X-RAY DIFFRACTION	42	{ K|1761 - K|2008 }
43	X-RAY DIFFRACTION	43	{ L|896 - L|1176 }
44	X-RAY DIFFRACTION	44	{ L|1419 - L|1746 }
45	X-RAY DIFFRACTION	45	{ L|1761 - L|2008 }
46	X-RAY DIFFRACTION	46	{ M|896 - M|1176 }
47	X-RAY DIFFRACTION	47	{ M|1192 - M|1400 }
48	X-RAY DIFFRACTION	48	{ M|1419 - M|1746 }
49	X-RAY DIFFRACTION	49	{ M|1761 - M|2008 }
50	X-RAY DIFFRACTION	50	{ N|896 - N|1176 }
51	X-RAY DIFFRACTION	51	{ N|1192 - N|1400 }
52	X-RAY DIFFRACTION	52	{ N|1419 - N|1746 }
53	X-RAY DIFFRACTION	53	{ N|1761 - N|2008 }
54	X-RAY DIFFRACTION	54	{ O|896 - O|1178 }
55	X-RAY DIFFRACTION	55	{ O|1419 - O|1746 }
56	X-RAY DIFFRACTION	56	{ P|896 - P|1176 }
57	X-RAY DIFFRACTION	57	{ P|1192 - P|1400 }
58	X-RAY DIFFRACTION	58	{ P|1419 - P|1746 }
59	X-RAY DIFFRACTION	59	{ P|1761 - P|2008 }
60	X-RAY DIFFRACTION	60	{ Q|896 - Q|1176 }
61	X-RAY DIFFRACTION	61	{ Q|1419 - Q|1745 }
62	X-RAY DIFFRACTION	62	{ R|897 - R|1176 }
63	X-RAY DIFFRACTION	63	{ R|1419 - R|1746 }
64	X-RAY DIFFRACTION	64	{ A|883 - A|895 }
65	X-RAY DIFFRACTION	65	{ A|1177 - A|1191 }
66	X-RAY DIFFRACTION	66	{ A|1401 - A|1418 }
67	X-RAY DIFFRACTION	67	{ A|1747 - A|1760 }
68	X-RAY DIFFRACTION	68	{ B|883 - B|895 }
69	X-RAY DIFFRACTION	69	{ B|1177 - B|1191 }
70	X-RAY DIFFRACTION	70	{ B|1401 - B|1418 }
71	X-RAY DIFFRACTION	71	{ B|1747 - B|1760 }
72	X-RAY DIFFRACTION	72	{ C|883 - C|895 }
73	X-RAY DIFFRACTION	73	{ C|1177 - C|1191 }
74	X-RAY DIFFRACTION	74	{ C|1401 - C|1418 }
75	X-RAY DIFFRACTION	75	{ C|1747 - C|1760 }
76	X-RAY DIFFRACTION	76	{ D|883 - D|895 }
77	X-RAY DIFFRACTION	77	{ D|1177 - D|1191 }
78	X-RAY DIFFRACTION	78	{ D|1401 - D|1418 }
79	X-RAY DIFFRACTION	79	{ D|1747 - D|1760 }
80	X-RAY DIFFRACTION	80	{ E|1177 - E|1191 }
81	X-RAY DIFFRACTION	81	{ E|1401 - E|1418 }
82	X-RAY DIFFRACTION	82	{ E|1747 - E|1760 }
83	X-RAY DIFFRACTION	83	{ F|1177 - F|1191 }
84	X-RAY DIFFRACTION	84	{ F|1401 - F|1418 }
85	X-RAY DIFFRACTION	85	{ F|1747 - F|1760 }
86	X-RAY DIFFRACTION	86	{ G|1177 - G|1191 }
87	X-RAY DIFFRACTION	87	{ G|1401 - G|1418 }
88	X-RAY DIFFRACTION	88	{ G|1747 - G|1760 }
89	X-RAY DIFFRACTION	89	{ H|1177 - H|1191 }
90	X-RAY DIFFRACTION	90	{ H|1401 - H|1418 }
91	X-RAY DIFFRACTION	91	{ H|1747 - H|1760 }
92	X-RAY DIFFRACTION	92	{ I|1177 - I|1191 }
93	X-RAY DIFFRACTION	93	{ I|1401 - I|1418 }
94	X-RAY DIFFRACTION	94	{ I|1747 - I|1759 }
95	X-RAY DIFFRACTION	95	{ J|1177 - J|1191 }
96	X-RAY DIFFRACTION	96	{ J|1401 - J|1418 }
97	X-RAY DIFFRACTION	97	{ J|1747 - J|1760 }
98	X-RAY DIFFRACTION	98	{ K|1177 - K|1191 }
99	X-RAY DIFFRACTION	99	{ K|1401 - K|1418 }
100	X-RAY DIFFRACTION	100	{ K|1747 - K|1760 }
101	X-RAY DIFFRACTION	101	{ L|1177 - L|1196 }
102	X-RAY DIFFRACTION	102	{ L|1402 - L|1418 }
103	X-RAY DIFFRACTION	103	{ L|1747 - L|1760 }
104	X-RAY DIFFRACTION	104	{ M|1177 - M|1191 }
105	X-RAY DIFFRACTION	105	{ M|1401 - M|1418 }
106	X-RAY DIFFRACTION	106	{ M|1747 - M|1760 }
107	X-RAY DIFFRACTION	107	{ N|1177 - N|1191 }
108	X-RAY DIFFRACTION	108	{ N|1401 - N|1418 }
109	X-RAY DIFFRACTION	109	{ N|1747 - N|1760 }
110	X-RAY DIFFRACTION	110	{ O|1407 - O|1418 }
111	X-RAY DIFFRACTION	111	{ O|1747 - O|1756 }
112	X-RAY DIFFRACTION	112	{ P|1177 - P|1191 }
113	X-RAY DIFFRACTION	113	{ P|1401 - P|1418 }
114	X-RAY DIFFRACTION	114	{ P|1747 - P|1760 }
115	X-RAY DIFFRACTION	115	{ R|1177 - R|1191 }
116	X-RAY DIFFRACTION	116	{ R|1747 - R|1759 }