PDB-2ymd: Crystal structure of a mutant binding protein (5HTBP-AChBP) in co...

Basic information

• Entry: Database: PDB / ID: 2ymd
• Title: Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
• Components: SOLUBLE ACETYLCHOLINE RECEPTOR
• Keywords: RECEPTOR / PENTAMERIC LIGAND-GATED ION CHANNEL

Function / homology

Function:

extracellular ligand-gated monoatomic ion channel activity / transmembrane signaling receptor activity / membrane / identical protein binding / metal ion binding

Domain/homology:

Acetylcholine Binding Protein; Chain: A, / Neurotransmitter-gated ion-channel ligand-binding domain / Neurotransmitter-gated ion-channel / Neurotransmitter-gated ion-channel ligand-binding domain / Neurotransmitter-gated ion-channel ligand-binding domain superfamily / Neurotransmitter-gated ion-channel ligand binding domain / Distorted Sandwich / Mainly Beta

Component:

PHOSPHATE ION / SEROTONIN / Soluble acetylcholine receptor

• Biological species: APLYSIA CALIFORNICA (California sea hare)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.96 Å
• Authors: Kesters, D. / Thompson, A.J. / Brams, M. / Elk, R.v. / Spurny, R. / Geitmann, M. / Villalgordo, J.M. / Guskov, A. / Danielson, U.H. / Lummis, S.C.R. / Smit, A.B. / Ulens, C.
• Citation: Journal: Embo Rep. / Year: 2013; Title: Structural Basis of Ligand Recognition in 5-Ht(3) Receptors.; Authors: Kesters, D. / Thompson, A.J. / Brams, M. / Van Elk, R. / Spurny, R. / Geitmann, M. / Villalgordo, J.M. / Guskov, A. / Helena Danielson, U. / Lummis, S.C. / Smit, A.B. / Ulens, C.

History

Deposition	Oct 9, 2012	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 12, 2012	Provider: repository / Type: Initial release
Revision 1.1	Jan 30, 2013	Group: Database references
Revision 1.2	Dec 20, 2023	Group: Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Assembly

Deposited unit

A: SOLUBLE ACETYLCHOLINE RECEPTOR

B: SOLUBLE ACETYLCHOLINE RECEPTOR

C: SOLUBLE ACETYLCHOLINE RECEPTOR

D: SOLUBLE ACETYLCHOLINE RECEPTOR

E: SOLUBLE ACETYLCHOLINE RECEPTOR

F: SOLUBLE ACETYLCHOLINE RECEPTOR

G: SOLUBLE ACETYLCHOLINE RECEPTOR

H: SOLUBLE ACETYLCHOLINE RECEPTOR

I: SOLUBLE ACETYLCHOLINE RECEPTOR

J: SOLUBLE ACETYLCHOLINE RECEPTOR

hetero molecules

Summary:

• 245 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	244,930	44
Polymers	240,929	10
Non-polymers	4,001	34
Water	48,010	2665

1

Summary:

• Idetical with deposited unit
• defined by software

Symmetry operations:

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

Calculated values:

Buried area	46760 Å2
ΔGint	-254.7 kcal/mol
Surface area	76430 Å2
Method	PISA

2

A: SOLUBLE ACETYLCHOLINE RECEPTOR

B: SOLUBLE ACETYLCHOLINE RECEPTOR

C: SOLUBLE ACETYLCHOLINE RECEPTOR

D: SOLUBLE ACETYLCHOLINE RECEPTOR

E: SOLUBLE ACETYLCHOLINE RECEPTOR

hetero molecules

Summary:

• defined by software
• 123 kDa, 5 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	122,649	24
Polymers	120,464	5
Non-polymers	2,185	19
Water	90	5

Symmetry operations:

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

Calculated values:

Buried area	20760 Å2
ΔGint	-116.5 kcal/mol
Surface area	41320 Å2
Method	PISA

3

F: SOLUBLE ACETYLCHOLINE RECEPTOR

G: SOLUBLE ACETYLCHOLINE RECEPTOR

H: SOLUBLE ACETYLCHOLINE RECEPTOR

I: SOLUBLE ACETYLCHOLINE RECEPTOR

J: SOLUBLE ACETYLCHOLINE RECEPTOR

hetero molecules

Summary:

• defined by software
• 122 kDa, 5 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	122,281	20
Polymers	120,464	5
Non-polymers	1,816	15
Water	90	5

Symmetry operations:

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

Calculated values:

Buried area	20020 Å2
ΔGint	-112.4 kcal/mol
Surface area	41090 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	203.565, 140.064, 126.528
Angle α, β, γ (deg.)	90.00, 99.08, 90.00
Int Tables number	5
Space group name H-M	C121

• Noncrystallographic symmetry (NCS): NCS oper: (Code: given; Matrix: (-1, -0.029, -0.004), (-0.024, 0.725, 0.689), (-0.017, 0.689, -0.725); Vector: 52.963, 0.539, 0.403)

Components

#1: Protein

A B C D E F G H I J
SOLUBLE ACETYLCHOLINE RECEPTOR / ACHBP

Details:

Mass: 24092.885 Da / Num. of mol.: 10 / Fragment: ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231 / Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) APLYSIA CALIFORNICA (California sea hare)
Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / Strain (production host): SF21 / References: UniProt: Q8WSF8

#2: Chemical

A-1213 B-1212 C-1213 D-1214 E-1213 F-1214 G-1213 H-1206 I-1213 J-1213
ChemComp-SRO / SEROTONIN / 3-(2-AMINOETHYL)-1H-INDOL-5-OL / Serotonin

Details:

Mass: 176.215 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₁₀H₁₂N₂O / Comment: neurotransmitter*YM

#3: Chemical

A-1214 B-1211 B-1213 B-1215 C-1214 D-1213 D-1215 D-1216 E-1214 F-1213 F-1215 F-1217 G-1215 J-1215
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol

Details:

Mass: 92.094 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C₃H₈O₃

#4: Chemical

A-1215 B-1214 C-1215 D-1217 E-1215 F-1216 G-1214 H-1207 I-1214 J-1214
ChemComp-PO4 / PHOSPHATE ION / Phosphate

Details:

Mass: 94.971 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: PO₄

#5: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 2665 / Source method: isolated from a natural source / Formula: H₂O

• Nonpolymer details: SEROTONIN (SRO): SYNONYM 5-HYDROXYTRYPTAMINE
• Sequence details: THE CONFLICTS BETWEEN THE UNIPROT AND PROTEIN SEQUENCE ARE DUE TO DIFFERENCES IN THE CLONING METHOD USED TO OBTAIN THE GENE.

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 3.21 ų/Da / Density % sol: 61.41 % / Description: NONE
• Crystal grow: Details: 400 MM (NH4)H2PO4

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1
• Detector: Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 2, 2011
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 1.96→46.9 Å / Num. obs: 249028 / % possible obs: 99.6 % / Observed criterion σ(I): 1 / Redundancy: 3.8 % / B_iso Wilson estimate: 22.28 Ų / R_merge(I) obs: 0.01 / Net I/σ(I): 6.4
• Reflection shell: Resolution: 1.96→2.19 Å / Redundancy: 3.6 % / R_merge(I) obs: 0.08 / Mean I/σ(I) obs: 1 / % possible all: 99.6

Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
SCALA		data scaling
MOLREP		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2XYS

2xys

Resolution: 1.96→46.903 Å / SU ML: 0.18 / σ(F): 1.42 / Phase error: 19.56 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2011	2294	1 %
Rwork	0.1591	-	-
obs	0.1595	239406	95.78 %

• Solvent computation: Shrinkage radii: 1 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 2 Ų / k_sol: 2 e/ų
• Displacement parameters: B_iso mean: 29.2 Ų

Refinement step

Cycle: LAST / Resolution: 1.96→46.903 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16864	0	264	2665	19793

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	17569
X-RAY DIFFRACTION	f_angle_d	1.061	23927
X-RAY DIFFRACTION	f_dihedral_angle_d	14.086	6321
X-RAY DIFFRACTION	f_chiral_restr	0.073	2624
X-RAY DIFFRACTION	f_plane_restr	0.005	3067

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
1.9609-2.0036	0.2862	120	0.2593	12058	X-RAY DIFFRACTION	78
2.0036-2.0502	0.3124	138	0.2356	13761	X-RAY DIFFRACTION	89
2.0502-2.1014	0.2243	136	0.2121	14212	X-RAY DIFFRACTION	92
2.1014-2.1583	0.2371	138	0.1995	14470	X-RAY DIFFRACTION	94
2.1583-2.2218	0.2327	144	0.1968	14718	X-RAY DIFFRACTION	95
2.2218-2.2935	0.238	144	0.1888	14802	X-RAY DIFFRACTION	96
2.2935-2.3754	0.2379	143	0.1764	14981	X-RAY DIFFRACTION	97
2.3754-2.4706	0.2323	147	0.1739	15090	X-RAY DIFFRACTION	98
2.4706-2.583	0.238	146	0.173	15098	X-RAY DIFFRACTION	98
2.583-2.7191	0.2193	147	0.1661	15157	X-RAY DIFFRACTION	98
2.7191-2.8895	0.2228	146	0.1582	15304	X-RAY DIFFRACTION	99
2.8895-3.1125	0.1932	146	0.1483	15367	X-RAY DIFFRACTION	99
3.1125-3.4257	0.1762	150	0.1364	15463	X-RAY DIFFRACTION	100
3.4257-3.9212	0.1767	148	0.1301	15427	X-RAY DIFFRACTION	100
3.9212-4.9394	0.1365	149	0.1161	15559	X-RAY DIFFRACTION	100
4.9394-46.9162	0.1917	152	0.1641	15645	X-RAY DIFFRACTION	100

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	2.713	-3.6267	0.5889	6.3552	1.8321	6.7384	0.2181	-0.6945	0.2615	0.3426	-0.0861	-0.1764	-0.1931	0.3744	-0.1153	0.1678	-0.0873	-0.0227	0.3047	-0.0759	0.2767	44.9986	-2.0205	20.4183
2	3.1309	0.8048	1.1776	8.3432	-4.5996	3.3929	-2.1218	0.1609	2.4123	-0.2842	0.4002	-2.0308	-0.2932	-0.0667	1.7311	0.6874	-0.0692	-0.1827	0.702	-0.0403	0.8771	39.0381	8.3864	16.4779
3	8.0521	1.5827	2.9331	2.3371	2.5941	3.0851	0.1258	0.762	0.4757	-0.6869	0.1559	-0.412	-0.7848	0.6758	-0.0717	0.3123	-0.0496	0.0788	0.2913	0.1089	0.3721	28.4662	8.9097	3.6555
4	0.6417	0.6447	0.4831	2.0715	-0.5238	0.6245	0.0176	-0.0496	-0.1758	0.0166	-0.0198	-0.0512	0.053	0.0688	-0.0143	0.1623	-0.018	-0.0184	0.1784	-0.031	0.1177	10.8648	-11.948	13.6799
5	4.9308	4.69	-5.1717	4.513	-4.9361	5.4235	-0.2739	0.2416	-0.3546	-0.395	0.0916	-0.2612	0.6084	0.1589	0.3132	0.2219	-0.0308	0.0295	0.202	-0.024	0.2365	25.635	-8.669	9.9132
6	6.1625	0.3132	0.8692	7.0264	-3.9673	7.2909	0.1402	0.3306	-0.1572	-0.2794	0.1215	-0.4583	0.172	0.4654	-0.2418	0.141	-0.0352	0.0276	0.1866	-0.092	0.1985	44.3832	-4.5435	11.3326
7	3.7572	-0.3592	-0.2109	0.0606	-0.1043	0.5822	-0.08	-0.0792	-0.0191	0.0305	0.0614	-0.0393	-0.0073	0.0958	0.0101	0.1747	-0.0305	-0.0112	0.1532	-0.03	0.1808	23.7747	-4.369	15.8365
8	8.3919	6.6931	-7.4071	7.359	-6.2859	9.7684	0.1941	-0.3209	-0.5921	0.1768	-0.3719	-0.3916	-0.0899	0.4916	0.1611	0.1407	-0.0476	-0.0091	0.1947	-0.0275	0.1881	27.1871	-8.9706	13.7463
9	0.235	-0.8454	-0.0688	2.9303	-0.2754	2.4614	-0.1421	-0.0644	-0.2096	-0.1946	0.08	0.3172	-0.0522	-0.2183	0.0497	0.108	-0.0286	0.0191	0.1304	0.0216	0.1676	3.1867	-13.8356	14.3364
10	2.256	2.4723	-3.5847	3.5302	-4.8105	6.7137	-0.2989	0.366	-0.14	-0.7691	0.1887	0.5474	0.1736	-0.1403	0.0624	0.1807	-0.0178	-0.0151	0.2838	-0.0663	0.2763	0.4864	-20.2228	6.1431
11	3.6269	0.1502	-1.1689	8.0434	-0.0495	2.4657	-0.1123	0.6476	0.3289	-0.5223	0.1042	-0.1544	-0.0081	0.2263	0.0033	0.1675	-0.0415	-0.0451	0.2351	0.0433	0.0934	17.8579	1.0143	4.0525
12	2.1887	1.0923	-1.9031	4.6443	-2.1051	7.9796	-0.0242	0.1534	-0.2598	-0.1294	-0.0236	-0.0568	0.3356	0.1239	0.0581	0.1422	0.0031	-0.0178	0.1237	-0.0614	0.1527	13.2593	-20.9027	9.0219
13	3.8163	-0.239	4.6533	3.4066	-1.3042	6.0142	0.144	0.7953	-0.3282	0.3415	-0.3511	0.4603	0.5525	-0.2509	0.041	0.252	-0.0368	0.0188	0.2422	0.0089	0.1408	11.9646	-1.6584	-2.1032
14	6.1899	-6.0488	-0.5539	6.0084	0.8932	2.0361	-0.45	-1.0519	0.4495	0.3294	0.6922	-0.1435	-0.3951	-0.3164	-0.2042	0.2836	0.0013	-0.0476	0.3085	0.0111	0.2137	11.6347	6.9111	0.4859
15	8.5906	6.8027	-5.1611	5.8066	-5.0652	6.156	0.0814	-0.147	0.1404	0.1265	-0.1261	0.4615	0.2504	0.0781	0.1259	0.1894	-0.0381	-0.0034	0.2279	-0.0571	0.1827	6.6951	-17.9804	8.0986
16	2.6257	1.2071	-4.2163	8.8144	-0.9195	7.436	0.1543	-0.3989	-0.1867	0.3819	-0.3647	-0.8769	0.0847	0.4116	0.1753	0.1635	-0.0931	-0.0369	0.3088	0.0622	0.2484	31.2647	17.6037	10.0411
17	3.0665	1.9005	1.5256	2.0876	-1.5775	7.833	1.0653	-2.685	0.5376	-0.3278	-0.9352	0.4813	-0.1233	2.2197	-0.3613	0.5818	-0.0899	0.1448	0.7959	-0.09	0.5121	27.6955	24.4849	19.8763
18	5.5176	-3.5163	-0.3666	2.8324	-1.655	6.6985	-0.046	0.4784	1.0671	-0.5492	0.1846	-0.1879	-0.4886	0.7472	-0.1509	0.4338	-0.1999	0.0105	0.178	0.0075	0.354	12.6363	31.3363	21.5469
19	2.5582	2.333	-0.2857	4.0014	-0.6118	1.2814	-0.0719	0.1383	0.0643	-0.1725	0.1463	0.0737	-0.0366	-0.0044	-0.0557	0.1171	0.0042	-0.0122	0.1348	-0.0089	0.1016	1.0841	9.4049	16.5395
20	7.7563	-0.1318	-2.4905	6.1645	0.982	4.1427	0.1197	0.4421	0.232	-0.3486	-0.2195	-0.1487	-0.3891	0.199	0.0713	0.1837	-0.0746	-0.0282	0.2878	0.0332	0.1341	25.1816	22.1967	5.1127
21	2.5752	0.9986	-1.5916	1.0578	-0.6134	0.9429	-0.0589	0.0134	0.0385	-0.0121	0.0535	-0.0478	-0.0126	0.0313	0.0003	0.1791	-0.0525	-0.0165	0.2096	-0.0088	0.1289	11.1574	13.2446	18.4259
22	9.561	7.2201	-7.3913	5.649	-6.1539	7.3043	0.0439	-0.2668	0.0758	0.2732	-0.2722	0.0674	-0.2494	-0.128	0.222	0.1772	-0.0611	-0.0225	0.1716	-0.0103	0.1552	11.5218	13.3319	11.7884
23	1.5106	-2.0674	-0.524	3.268	1.1495	3.7353	0.0715	-0.1951	-0.1267	-0.0163	0.0182	0.2329	0.0645	-0.3541	-0.1183	0.1365	-0.044	0.0006	0.1443	0.0106	0.1368	-5.9149	3.8846	22.5059
24	5.8731	-2.3032	4.5263	5.6478	-3.162	4.3123	0.5998	-0.0753	-0.5638	0.0884	-0.0356	1.6852	0.1807	-1.182	-0.5027	0.2205	-0.1126	-0.0015	0.5038	-0.0466	0.3647	-20.0382	-1.0427	14.5945
25	4.0739	1.2008	1.8004	0.7477	1.4931	2.794	0.078	-0.1356	0.2447	-0.0118	-0.1447	0.1023	-0.2427	-0.0933	0.0428	0.1628	0.0129	0.002	0.1016	0.0152	0.1461	-0.5279	20.3474	21.7557
26	5.2675	2.3166	4.8633	3.4459	2.0683	4.5804	-1.1411	1.3991	0.3921	-1.7683	0.8003	0.358	-0.9554	0.2276	0.269	0.4322	-0.0756	-0.0215	0.3542	0.0173	0.27	-2.4813	18.5852	6.9682
27	2.375	0.3017	1.0536	6.865	0.3779	1.4388	0.1053	0.0928	0.0819	-0.1603	-0.0819	0.0668	0.1246	-0.0596	-0.0157	0.1293	-0.0429	0.0009	0.1539	0.0095	0.1037	-6.2972	5.9817	10.5511
28	8.4527	-3.6257	2.3516	7.0424	-6.0884	8.4975	0.7027	0.9775	-0.9661	-0.652	-1.1314	1.1151	1.9402	1.0417	0.417	0.8418	0.3274	0.0553	0.8209	-0.132	0.7052	-4.9537	25.7798	29.7472
29	5.474	1.039	1.9315	2.9842	-1.6033	2.1417	0.2365	-0.6713	0.6564	0.8155	-0.3803	0.2945	-0.1032	-0.3073	0.1495	0.2206	-0.0071	0.0614	0.2084	-0.0199	0.1987	-4.45	20.5092	20.2078
30	4.9117	-2.567	-1.6138	7.5373	4.893	3.2111	0.2334	0.2154	-0.4732	-0.0464	-0.4504	0.7234	0.6508	-0.3743	0.251	0.2331	-0.0546	-0.0466	0.2703	-0.0084	0.2621	-13.4164	-1.1702	12.5618
31	5.0283	1.4776	-0.8274	3.5563	-3.0876	3.4684	0.0402	0.4398	-0.5023	-0.429	0.3181	-1.1283	0.1078	0.5207	0.0009	0.242	-0.0866	0.0809	0.1909	-0.0176	0.3377	21.4092	31.839	29.1625
32	8.5342	0.7735	-4.4119	2.8786	1.3328	3.3772	0.4972	-2.5219	-0.2117	0.3918	-1.5709	-1.8673	-1.2216	0.7499	1.1852	0.6341	-0.0695	-0.2461	0.8545	0.0503	0.8353	26.3917	26.4978	39.3554
33	3.8306	-1.1348	-2.8973	5.5576	0.4981	4.3916	-0.1234	-0.5795	0.3471	0.4068	-0.0962	-0.4126	-0.2951	0.034	0.0933	0.392	-0.1454	-0.1648	0.2314	0.0023	0.4014	18.1931	23.1674	53.1831
34	1.3794	0.0924	0.5849	2.2817	0.3527	2.6569	-0.0326	0.0038	0.0194	-0.1399	0.0807	0.0667	-0.0312	-0.1189	-0.0653	0.1031	-0.0298	0.0345	0.1412	0.0029	0.0878	-2.3993	9.8912	41.2526
35	4.613	4.4715	-2.8712	4.4235	-2.3927	6.5316	0.2459	-0.3224	0.3315	0.2015	-0.319	-0.0853	-0.4017	-0.0687	0.1122	0.2365	-0.0109	-0.0178	0.1288	-0.0185	0.2268	10.754	27.6729	42.8004
36	5.5253	4.8101	3.9705	4.5964	4.8554	7.4335	0.0481	0.1967	1.094	-0.0656	-0.1288	0.195	-0.6481	0.0291	0.0849	0.2357	-0.0061	0.0637	0.1544	-0.0091	0.3312	17.5021	40.2988	33.1127
37	1.0604	2.3327	-0.6888	4.5856	-1.4287	0.8459	0.0332	-0.0085	0.042	0.0694	0.0164	-0.0519	-0.0207	0.0217	-0.0469	0.1189	-0.016	-0.004	0.1299	0.0124	0.1697	9.4261	18.6589	38.0099
38	7.9757	7.1701	7.6441	6.5886	7.245	8.2857	-0.178	0.2973	0.2876	-0.1408	0.0423	0.7512	0.0311	-0.074	0.1451	0.1562	-0.0414	0.0024	0.2169	-0.0165	0.1747	5.813	21.697	37.1016
39	0.6125	-0.8156	0.7311	1.362	-0.6844	0.9405	-0.1059	-0.1748	-0.1475	-0.023	0.0767	0.0987	0.2598	-0.3693	0.0507	0.2085	-0.1059	-0.0102	0.2263	0.0257	0.1348	-4.9919	2.6419	42.4247
40	5.022	-5.425	-3.3784	6.2483	3.5699	3.1854	0.3081	-0.6362	-0.8235	0.858	-0.4774	0.9322	0.2064	-1.4686	0.3015	0.308	-0.1415	-0.0035	0.5615	0.0153	0.2878	-21.6164	1.7701	43.6205
41	6.1218	-0.0241	0.596	0.4319	-0.9198	1.6776	0.1059	-0.4222	0.0326	0.2395	-0.1585	-0.0284	-0.0925	-0.0686	0.0579	0.2456	-0.0612	0.009	0.1586	-0.0134	0.1291	4.1802	13.6589	52.1154
42	6.0187	4.7178	5.7	3.7873	4.5473	5.4356	0.0499	-0.8976	1.5533	0.395	-0.6264	1.0715	-0.3812	-0.3371	0.497	0.3498	0.0199	0.0326	0.3379	-0.0683	0.3618	-5.8187	23.5532	47.6515
43	2.5337	1.5176	1.428	2.6341	2.2579	5.7167	0.1817	-0.268	0.1645	0.2292	-0.1116	0.2113	0.0238	-0.2955	-0.0315	0.1379	0.0003	0.0346	0.1746	-0.0176	0.1451	-11.0445	13.0805	40.7366
44	3.2424	-4.4809	2.3982	8.1959	-2.0909	2.5571	0.947	-0.0385	-0.2387	0.6226	-0.8743	0.4331	-0.052	-0.4565	-0.0371	0.9408	-0.0835	0.0634	0.7295	0.004	0.3851	7.0233	8.8207	61.4123
45	3.5908	2.1652	2.8071	2.9907	1.4538	2.9288	0.3348	-0.1266	-0.051	0.4477	-0.2311	0.0403	0.076	0.0147	0.3422	0.2746	-0.092	0.0145	0.3178	0.0203	0.1813	-6.7408	10.4948	48.3629
46	4.0484	2.3035	-0.2632	6.3523	0.4802	3.1832	-0.5507	0.8462	0.384	-0.6407	0.4342	-0.2594	-0.9656	0.6906	-0.0177	0.4447	-0.3205	-0.0326	0.2088	0.0707	0.2355	29.0096	21.0322	51.6613
47	4.6022	2.1511	0.8297	3.5069	4.366	8.5886	-1.3943	0.0636	-1.5827	-0.8199	0.294	-2.5267	-0.3621	0.1676	0.9599	0.6814	-0.2681	0.1784	0.849	-0.0147	0.9495	36.5386	11.8193	47.8504
48	2.7674	-4.114	3.1139	9.0851	-5.3584	4.104	-0.0505	-0.9114	0.3092	0.5249	-0.0203	-0.814	-0.1887	0.5445	0.1843	0.2281	-0.0686	-0.0684	0.5544	-0.0857	0.4033	36.8487	-3.2255	54.6027
49	1.6955	-0.9149	-0.1409	0.6569	-0.3496	0.921	-0.0534	-0.0796	0.0463	-0.0491	-0.031	0.0903	0.0607	-0.1137	0.0873	0.1851	-0.058	-0.0085	0.116	0.0312	0.0789	8.6088	-8.1793	50.5931
50	4.7298	6.2775	3.0538	8.7674	3.02	8.139	0.2	-0.5291	-0.2413	0.3998	-0.2794	-0.3679	0.0518	0.0794	0.0132	0.2046	-0.0037	-0.0363	0.1691	-0.0048	0.1788	25.5797	4.0714	57.8002
51	2.0192	-0.7726	1.2444	6.7689	-3.2031	1.9165	-0.2152	-0.4249	0.6109	1.0134	-0.0651	-0.0093	-0.4502	0.347	0.1819	0.3684	-0.155	-0.0237	0.2748	-0.025	0.2295	30.5653	21.0635	61.6785
52	0.4485	0.5349	0.3978	1.3918	0.4264	0.5163	-0.0018	0.027	0.0742	-0.031	0.019	-0.0267	-0.0818	0.0967	-0.022	0.2303	-0.0846	0.0198	0.2164	0.0053	0.1611	20.1376	3.2623	50.4401
53	6.4082	4.5635	6.3094	6.2474	1.8596	9.0756	-0.0286	-0.5041	0.6213	0.1497	-0.1533	0.1467	-0.1513	-0.0646	0.21	0.1619	-0.0659	-0.0057	0.1923	-0.0124	0.1294	17.8176	4.4394	54.4711
54	0.4769	-1.1513	-0.2476	4.7715	-0.6509	1.067	0.0297	-0.0621	-0.1344	0.3537	-0.0098	0.1977	0.3557	-0.3081	-0.0382	0.2244	-0.0846	-0.013	0.1974	-0.0172	0.1495	6.2126	-13.3926	47.0911
55	1.8385	-1.6264	-1.2626	2.3398	1.0721	0.8818	-0.3546	-0.107	-0.7504	0.6319	0.0762	0.5637	1.9643	-2.1738	0.1689	0.447	-0.1844	0.059	0.4503	-0.0221	0.3432	-6.5506	-20.2699	55.7502
56	5.5311	2.633	-3.5623	2.7308	-0.7449	2.8408	-0.0872	-0.0917	-0.1574	0.0337	0.1253	-0.1639	0.1571	0.1447	-0.0441	0.1794	-0.0101	-0.0398	0.1242	0.0069	0.1107	22.1648	-12.0597	53.7888
57	5.9094	-6.0386	-6.7459	7.0522	6.398	8.1307	0.1113	-1.1722	-0.102	0.3685	-0.0414	0.0778	0.3661	0.2018	-0.0749	0.248	-0.0023	-0.0267	0.2853	0.0474	0.1385	14.9343	-6.4908	65.4457
58	6.5161	-1.2652	0.9569	0.9821	-0.6122	1.1861	0.035	-0.0118	-0.3535	0.0719	0.0718	0.1774	0.0583	-0.1212	-0.1166	0.1805	-0.0681	-0.0031	0.1352	0.0077	0.1078	3.9063	-8.3418	57.9589
59	4.6333	-5.2655	-4.7485	6.0212	5.4224	4.8933	0.2486	0.2639	0.122	-0.1143	0.1657	-0.1854	0.1199	-0.1286	-0.4276	0.4444	0.062	0.0177	0.3839	0.0336	0.4715	28.6215	-20.5028	51.8812
60	8.4304	-0.888	-0.3413	1.1365	-0.5696	2.5054	0.1158	-0.0003	-0.4014	0.0146	0.0463	0.2179	0.1912	-0.1281	-0.1303	0.2016	-0.0585	0.0031	0.1033	0.0022	0.1431	8.8682	-13.9943	56.1749
61	3.1985	1.1347	3.484	7.6433	-0.2085	6.8846	-0.003	-0.07	1.2759	0.4023	-0.1786	-0.1097	-0.303	0.0652	0.2415	0.2463	-0.1048	-0.0618	0.2348	0.0011	0.3777	43.5891	0.0796	46.0333
62	5.4164	5.6836	5.6805	5.9893	5.9906	6.011	-1.6748	0.9728	0.0647	-0.9096	1.6521	0.0847	-0.5754	2.8248	0.0024	0.6238	-0.2058	0.0231	1.0113	0.0955	0.5876	44.5425	0.4568	33.6654
63	6.3519	-6.3072	-6.1713	6.3987	6.004	6.2262	-0.1766	-0.151	-0.1946	-0.2071	0.2459	-0.8186	0.0048	1.3201	-0.2065	0.2253	-0.0178	0.0125	0.5456	0.0347	0.3382	43.3927	-12.698	23.7859
64	2.6916	0.071	-0.3847	1.0154	-0.3827	1.5426	0.0788	-0.0949	-0.0613	0.0537	-0.0471	0.006	0.1106	-0.0547	-0.0401	0.2037	-0.0291	-0.0132	0.093	-0.0123	0.1321	18.095	-21.2225	34.0625
65	4.0012	5.7772	1.0205	8.5212	1.6103	2.1489	-0.0472	0.3004	-0.4554	-0.048	0.1605	-0.3669	0.23	0.3694	0.0194	0.2216	0.0011	-0.0544	0.2244	0.0044	0.2069	40.1137	-14.6215	36.7234
66	8.4015	1.4992	-5.8937	4.5462	2.7966	10.001	0.1325	-0.9993	-0.5386	0.5936	-0.2049	-1.0848	0.6157	0.5529	0.1334	0.3169	-0.0539	-0.1713	0.2208	0.0587	0.3649	50.2897	-7.1226	48.4642
67	3.7888	1.4184	1.6097	0.5507	1.0308	1.437	0.0803	-0.0394	0.0053	0.042	-0.0312	-0.102	-0.0098	0.0104	-0.0443	0.2165	-0.0434	-0.0224	0.1573	0.0331	0.1754	30.2869	-11.3504	36.584
68	4.9512	-0.2341	1.2337	3.3473	1.6939	1.2839	0.0437	-0.2372	-0.2302	0.1855	-0.0314	0.0054	0.3512	0.1712	0.0143	0.124	-0.0597	-0.0089	0.1785	0.0606	0.1586	31.021	-14.5867	40.0735
69	0.4473	-0.7596	-0.3663	1.868	-0.8248	3.6414	0.0279	0.0911	-0.117	-0.0416	0.0797	0.4278	0.4152	-0.3939	-0.1009	0.1803	-0.0669	-0.0052	0.2271	0.0048	0.1781	10.5812	-24.4089	30.8873
70	7.7684	1.9444	-2.9982	0.4982	-0.7292	1.1742	-0.2898	-0.1061	-0.5626	-0.2771	-0.0639	-0.1647	0.9546	-0.6505	0.306	0.4015	-0.1484	0.0196	0.263	0.0119	0.4473	9.5308	-35.9634	32.648
71	5.7122	3.1966	-2.3237	6.2095	-4.4049	5.6285	0.0024	-0.0073	-0.3967	0.0752	-0.1892	-0.2966	0.159	0.3001	0.2085	0.1817	0.0221	-0.0136	0.1624	-0.0661	0.1442	31.3865	-22.6466	27.2648
72	6.8602	-1.1156	-3.6954	3.021	1.1147	3.6869	-0.1895	-0.3135	-0.4618	0.3913	0.123	0.0271	0.2895	0.1499	0.0695	0.2479	-0.0347	-0.0264	0.1527	0.0257	0.1931	17.5181	-28.6909	39.3832
73	5.9239	-6.2698	4.4469	9.3022	-6.2522	4.2102	-2.0867	-0.4946	0.419	1.4286	-0.1811	0.4011	0.1294	-2.9581	1.9694	1.3961	-0.1536	-0.0006	1.2464	-0.2959	0.6106	28.2712	-23.9377	15.6417
74	1.9821	0.5486	0.3507	2.0702	-0.8506	0.5606	-0.2481	2.1465	0.1362	-2.0983	0.6323	1.3056	1.0338	-1.4885	-0.4006	0.9322	-0.3217	-0.222	1.2411	-0.0103	0.6767	33.3486	-21.6944	14.7417
75	4.5149	3.3724	-5.3501	4.0929	-3.5411	7.6431	-0.1606	0.3356	-0.0577	0.0952	0.2196	0.1364	0.4484	-0.2561	-0.0203	0.2389	-0.0345	-0.0206	0.169	-0.0227	0.2235	16.5503	-29.958	33.4142
76	2.9296	3.0138	3.3772	3.5441	3.5143	3.8991	-0.0674	0.1224	0.4777	-0.2627	-0.0262	1.1161	-0.249	-0.0473	0.1318	0.2194	-0.038	-0.0252	0.227	-0.0415	0.4041	-47.0328	-62.7885	17.2466
77	3.1695	5.5083	3.8469	9.7416	6.8815	4.9032	0.9456	-1.912	-0.3701	-0.0041	-1.2138	-0.2329	1.0148	-0.8126	0.2274	0.5516	-0.1072	0.1087	0.71	0.0564	0.5767	-47.841	-63.2331	29.7672
78	4.3774	-4.8393	4.2303	5.3674	-4.6859	4.1806	-0.2765	0.208	-1.0756	-0.2806	0.1332	0.3648	1.0462	-0.505	0.0374	0.5229	-0.1297	0.1049	0.3399	-0.0041	0.4519	-35.2575	-66.6936	39.7876
79	1.8282	-0.2893	-0.536	0.6333	-0.939	2.4607	0.0033	0.0899	0.0226	-0.19	0.0317	-0.1678	-0.0644	0.167	-0.0249	0.0986	-0.0165	-0.0244	0.118	0.0013	0.1698	-17.9959	-46.0011	29.3487
80	9.1228	6.1897	-0.9175	4.2897	-0.8948	3.4393	0.0047	-0.1122	-0.3689	-0.1502	-0.1927	-0.0245	0.3869	-0.1213	0.2193	0.2508	-0.0489	0.0011	0.154	-0.0328	0.2762	-31.3921	-63.4814	26.907
81	8.4475	2.3675	-0.0065	9.2248	-6.2132	4.5239	-0.3083	0.6826	-1.0549	-0.6859	0.1475	-0.3617	0.8765	0.1137	0.153	0.2206	-0.0203	-0.0057	0.1993	-0.104	0.3589	-42.7281	-71.667	15.1685
82	1.6893	2.7481	2.1297	3.5188	2.1803	2.0426	-0.0284	0.1201	-0.1664	-0.0115	0.1368	-0.0345	0.0544	0.0645	-0.0841	0.1271	-0.0291	0.0225	0.1716	-0.0315	0.2304	-31.7388	-54.2692	26.703
83	9.6163	4.0682	-2.5435	5.4538	-3.1859	4.7727	-0.0942	0.5899	-0.4563	-0.0137	0.131	-0.0962	0.0084	0.0159	-0.0451	0.1431	-0.0452	-0.0054	0.1775	-0.0361	0.2379	-28.9183	-56.1852	23.3548
84	0.6423	-0.7562	-0.3868	1.4983	0.3691	5.6804	-0.021	-0.2287	0.1868	0.0475	0.0275	-0.3013	-0.036	0.3432	-0.0209	0.2042	-0.0597	-0.0374	0.1328	-0.0114	0.2611	-14.5576	-40.867	32.9092
85	4.6521	5.4684	-5.2964	6.4688	-6.2739	6.1168	0.3359	-0.4586	-0.2781	0.3547	-0.5499	-1.5534	-0.0468	1.393	0.2599	0.2964	-0.0882	-0.0069	0.6388	-0.0043	0.4826	1.18	-40.3402	29.2673
86	8.9194	0.064	-1.4023	0.1736	0.512	1.7827	0.0087	-0.1309	0.1422	0.0496	-0.0005	0.1946	0.1596	0.0911	0.0054	0.2419	-0.0253	-0.042	0.1191	0.0223	0.2007	-22.5997	-56.7634	39.2355
87	4.7937	2.9201	-3.5091	9.0525	-7.3144	8.6386	-0.0823	0.2036	-0.4158	-0.462	-0.092	-0.4568	0.5163	0.1574	0.1512	0.1598	0.0025	0.0001	0.2065	-0.072	0.2359	-13.0996	-51.2266	21.9415
88	5.0017	3.2525	-1.4194	7.2944	-2.3613	3.5304	0.0073	0.0302	-0.6407	0.0203	-0.1434	-0.8383	0.0918	0.5222	0.1557	0.1474	0.0168	-0.0421	0.2241	-0.0417	0.2757	-10.1239	-52.2666	30.0348
89	2.4547	-3.5217	2.6464	7.4718	-0.8239	6.5822	-0.4585	-0.1473	1.4118	0.2604	-0.6234	-0.2991	-1.0852	-0.8783	1.0314	0.9775	0.1607	-0.3647	0.8051	-0.1112	0.7272	-21.4109	-57.1577	49.658
90	4.8638	3.2642	-2.3736	4.6669	-2.9592	6.7509	0.2601	-0.3119	-0.1174	0.197	-0.2824	-0.2308	-0.0678	0.5662	0.0129	0.145	0.0039	-0.0304	0.1626	-0.0214	0.3002	-11.2158	-49.2353	31.6582
91	6.4744	4.3701	-0.7994	7.5202	2.084	6.0698	-0.1196	0.6723	-0.1527	-0.3885	0.3482	0.7871	0.6534	-0.8683	-0.1379	0.2963	-0.141	-0.0928	0.2444	0.0625	0.2809	-45.891	-64.3892	43.3144
92	4.8312	4.6475	-0.0384	4.7035	1.3659	9.197	-0.6765	-1.7035	1.3609	-0.2083	-0.6195	2.2536	0.9848	0.4339	1.1431	0.5072	-0.0712	0.0291	0.8548	0.0829	0.8963	-53.4483	-55.1915	46.8848
93	3.3559	4.6252	0.6724	6.4665	0.7937	1.8539	0.1757	-0.8441	-0.4201	0.6502	-0.4457	0.5634	0.4698	-0.5049	0.2599	0.3379	-0.0347	0.1421	0.4706	0.1663	0.5038	-50.329	-45.042	59.4098
94	1.4631	-0.8036	-0.3891	0.531	0.4495	1.0718	0.0244	-0.1684	-0.1547	0.0473	-0.0193	-0.1904	0.0627	0.0626	-0.0185	0.1729	-0.0623	-0.0418	0.1652	0.0044	0.1348	-24.818	-36.8166	49.4081
95	4.8053	6.6859	-2.8508	9.65	-2.4802	8.2722	0.393	-0.7361	-0.1122	0.6345	-0.3202	0.4487	0.3897	0.0256	-0.0865	0.2776	-0.0478	0.0024	0.2288	0.0587	0.2649	-40.2212	-52.9885	55.4643
96	9.1346	-0.0201	-4.2789	7.6377	0.9372	2.1478	0.0047	-0.491	-0.578	0.6214	0.0326	-0.4522	0.2864	0.1379	-0.0381	0.3388	-0.0839	-0.1603	0.2695	0.1155	0.3163	-42.6777	-68.4027	51.3451
97	1.4556	2.7122	-0.456	6.9519	-0.6981	0.7772	0.0518	-0.113	-0.0779	-0.0297	-0.0696	0.0432	0.1024	-0.0508	0.014	0.1525	-0.0448	-0.0511	0.163	0.0254	0.1988	-36.367	-45.9843	47.3918
98	5.4664	5.3614	-5.2612	6.7953	-3.2057	7.5249	0.0398	-0.0758	-0.3649	0.0885	0.1088	-0.2952	0.1838	0.2494	-0.1734	0.1724	-0.0502	-0.022	0.1743	0.0352	0.2897	-33.0594	-50.2108	49.5871
99	1.9139	-2.3288	-0.2361	3.0272	0.6128	1.5757	0.0015	-0.2156	0.1962	0.1201	-0.1061	-0.1137	-0.2433	0.2445	0.1409	0.1753	-0.0875	0.0095	0.2047	0.0094	0.1442	-23.0174	-30.0897	48.0721
100	5.579	-3.9395	1.0213	3.4715	-0.7505	6.8989	-0.0077	-0.5761	0.4598	1.0225	-0.0931	-1.3659	-1.0577	1.6291	-0.0767	0.3539	-0.1741	-0.1524	0.3838	-0.0794	0.6277	-7.447	-27.21	54.5543
101	5.9111	-0.5027	3.1614	0.785	0.4511	2.374	0.0736	0.0993	0.0312	0.1914	0.038	0.0687	-0.0084	0.02	-0.1033	0.2392	-0.0801	0.0081	0.1802	-0.0082	0.1667	-33.3675	-33.7188	56.1683
102	2.2453	-2.2461	-2.4309	3.9926	1.1786	5.3987	-0.3787	-1.0034	-0.3251	0.5849	0.324	0.438	0.1818	-0.2819	-0.0185	0.3802	-0.0757	0.0721	0.3429	0.0122	0.2073	-40.6203	-41.5252	63.0601
103	8.6353	0.5249	-3.499	1.3709	-0.1103	5.4537	0.1364	-0.7681	-0.0965	0.3612	-0.147	-0.1101	0.1886	0.2478	0.0267	0.2393	-0.0619	-0.0673	0.2221	0.0293	0.1839	-18.9377	-40.4805	55.5658
104	7.7574	-3.3935	4.01	4.3249	-4.4285	4.6085	0.2408	0.681	-0.4105	0.3487	0.3922	-0.5596	2.3226	1.2784	-0.6095	0.9063	0.1009	-0.0372	0.6779	-0.2104	0.5967	-41.9934	-27.8455	62.449
105	8.4093	1.8508	-4.2502	2.8046	-0.7679	4.8333	0.3506	-0.4146	0.3075	0.2733	-0.2654	-0.0671	-0.1502	0.2047	-0.0614	0.2277	-0.0619	-0.051	0.187	-0.0021	0.1424	-22.5129	-34.0359	56.7925
106	6.169	3.0571	-0.6411	6.5322	-1.6768	6.266	-0.2764	0.4548	-1.0244	-0.4092	0.0265	-0.357	0.7534	-0.1258	0.209	0.3321	-0.1926	0.0748	0.2845	-0.0414	0.3809	-59.7178	-44.5956	52.9413
107	7.5963	4.9079	-3.3887	4.8137	-0.2719	3.7412	-1.5672	-0.1631	0.4253	-1.4697	1.8849	1.8623	1.6557	-0.9525	-0.4643	0.6535	-0.2279	0.0145	0.9493	0.0846	0.6908	-64.6649	-39.2735	42.822
108	6.5319	-2.7358	-1.0423	2.1479	1.6078	9.2512	-0.3694	-1.0665	0.2851	-0.0811	0.5585	0.8447	0.0836	-0.668	-0.1319	0.2272	-0.1336	-0.0132	0.592	0.0314	0.3156	-65.3762	-22.9659	40.1464
109	5.1832	-2.6482	5.4709	4.4377	-2.1848	7.0346	0.3069	-1.0722	-0.0865	0.0031	-0.2466	0.3104	0.3341	-1.4643	-0.0899	0.17	-0.0531	0.0265	0.3983	-0.0211	0.1981	-60.5076	-19.7176	46.8315
110	1.9821	-0.5248	0.3657	1.3197	-0.6731	3.5976	-0.0878	-0.0808	-0.0795	-0.0793	-0.0178	-0.0287	0.1031	0.171	0.107	0.1553	-0.0502	0.0121	0.1062	-0.032	0.1212	-33.9901	-17.9436	44.1898
111	8.4996	5.7581	-2.8221	7.6771	-1.976	7.534	-0.1217	-0.2961	0.1686	0.1124	0.0754	0.4411	0.0198	-0.4383	0.0562	0.1701	-0.0155	0.0282	0.2477	-0.01	0.1555	-58.2828	-27.0467	50.8581
112	7.3578	-1.4488	2.3893	9.316	-4.506	6.8399	-0.1019	-0.5893	-0.5359	1.0892	-0.0811	0.4254	-0.1325	-0.4493	0.1677	0.3732	-0.1244	0.0817	0.291	-0.0245	0.2224	-64.6268	-39.8133	60.3622
113	1.257	0.4778	-0.4386	0.9171	-0.3561	1.3094	0.0145	-0.0211	0.0104	0.0364	-0.0218	0.0369	0.0699	-0.0318	0.0049	0.1786	-0.0784	0.0084	0.1855	-0.0254	0.1335	-45.9311	-25.9721	45.3137
114	4.25	3.2956	3.7007	3.4361	2.5315	3.3511	-0.2497	-0.4876	1.4462	-0.3525	0.0482	-0.8125	-1.323	0.833	-0.0589	0.3974	-0.1555	-0.058	0.2358	-0.0154	0.4342	-24.1038	-3.5087	48.3702
115	6.3598	4.0958	3.7655	3.4669	2.4025	3.8698	-0.0963	0.259	0.166	0.003	0.1039	0.1208	-0.1375	-0.2159	-0.0088	0.1413	-0	0.0049	0.1647	0.0226	0.1079	-50.864	-14.3184	40.4391
116	7.2296	-2.1265	1.2371	1.9001	-0.3142	2.9544	0.007	-0.3186	-0.0297	0.1542	0.1137	-0.0197	-0.0548	-0.1282	-0.1232	0.1962	-0.0488	-0.0111	0.1262	-0.0187	0.1331	-36.4481	-15.9696	54.1785
117	3.4533	0.6034	4.1851	2.9522	0.985	5.3083	-0.2234	-0.1037	0.6709	-0.0198	-0.0187	0.1215	-0.1527	-0.1821	0.2802	0.1744	-0.0287	0.0211	0.1117	0.0347	0.1559	-41.7717	-9.157	50.0333
118	5.2766	6.5086	5.7365	9.9994	7.5079	6.4129	0.2733	1.1999	-0.4897	1.5679	1.9269	-0.8129	0.5279	2.6097	-2.1747	0.7863	0.2238	0.1119	0.8726	-0.0745	0.7079	-53.7298	-8.5932	32.3205
119	0.1541	-0.5537	0.3283	4.7286	0.4404	2.427	-0.2338	1.3257	0.0753	-0.4274	0.4208	0.3942	-0.1662	-0.4705	-0.1052	0.2153	-0.0653	-0.0349	0.5126	0.0925	0.164	-50.5432	-10.315	41.045
120	8.4897	2.0032	4.4045	7.5233	0.992	4.1048	-0.1395	0.1354	0.1216	0.5511	0.0258	-0.5376	0.2279	0.8701	-0.0264	0.2567	-0.0962	-0.0119	0.3125	0.018	0.1581	-26.1155	-9.6048	50.1564
121	3.196	-1.4407	-3.5748	8.1288	-2.207	6.1441	0.2539	-0.8091	-0.9408	0.0627	-0.4126	0.1172	0.5287	-0.2353	0.176	0.1925	-0.1096	-0.0051	0.3183	0.0517	0.4093	-69.3364	-31.8924	31.9021
122	6.0603	3.1645	-3.8965	4.6684	-4.1367	4.3777	0.0555	-0.4508	0.0972	0.525	-0.1789	0.8106	0.4134	-1.1218	0.2401	0.373	-0.1568	-0.0142	0.4366	-0.1463	0.3758	-60.7669	-33.7065	15.1896
123	7.5878	-3.0408	-2.114	6.1125	5.7856	5.6028	0.4383	0.785	-1.1935	-0.2346	-1.1333	1.32	0.5326	-1.2417	0.6449	0.3696	-0.0517	-0.1143	0.5158	-0.0732	0.345	-60.5964	-27.8557	6.1695
124	0.3035	0.2679	0.6682	0.8468	0.498	1.1629	0.0182	-0.1499	0.1468	0.0305	-0.0271	-0.0143	-0.0331	-0.047	-0.0058	0.2026	-0.0448	0.0082	0.2034	0.0223	0.1422	-37.8694	-15.4615	22.5226
125	4.1797	4.3583	-2.7308	4.6168	-3.3318	6.0679	-0.1675	0.4523	0.2256	-0.2059	0.171	0.4163	-0.0128	-0.3514	-0.0021	0.1407	0.0053	-0.0012	0.2206	-0.0406	0.2264	-61.3607	-22.5212	19.4216
126	9.0879	4.593	2.3459	3.076	-1.1968	9.3965	0.1689	0.0733	0.8712	0.1002	0.0577	0.8155	-0.2967	-0.9135	-0.2367	0.1889	0.0228	0.0419	0.2361	0.0243	0.3476	-75.6705	-24.0332	28.9372
127	6.5942	0.8115	-1.9098	-0.1786	-0.1429	0.7785	0.1203	-0.1459	0.0853	0.0222	-0.0349	0.0507	0.0247	-0.0444	-0.0821	0.1871	-0.0469	0.0151	0.1316	-0.0023	0.1861	-52.4636	-24.4207	24.3569
128	4.6261	3.4468	5.6607	5.2274	3.6886	7.0465	0.1424	-0.2256	0.0322	0.0656	-0.0179	0.0042	-0.1513	-0.2339	-0.1173	0.1506	-0.0559	0.0248	0.1701	0.0024	0.1749	-54.0441	-20.0203	25.1825
129	0.3393	-0.8572	-0.2286	2.0344	0.5031	1.748	0.2063	0.153	0.3448	-0.1152	-0.0458	-0.1956	-0.3925	0.1615	-0.087	0.1739	-0.065	0.0285	0.2043	0.0079	0.1565	-32.3696	-16.6094	20.1816
130	5.4197	-3.2543	3.2541	3.0814	-0.7754	3.2164	-0.3422	1.0759	1.0686	-0.6339	-0.1969	-1.6095	-1.2044	1.0317	0.5275	0.4222	-0.1422	0.0668	0.3601	0.0081	0.3772	-25.6856	-0.9657	18.7382
131	0.7429	0.4444	-0.8807	4.5008	-0.1119	1.1278	-0.0268	0.2536	-0.0927	-0.219	-0.0246	0.1003	-0.0548	-0.1911	0.0584	0.1718	-0.027	-0.0264	0.2316	0.0021	0.1108	-45.754	-21.4912	10.3109
132	4.2215	5.1073	4.9036	6.2172	5.9405	5.7045	-0.1532	0.7063	0.9945	-0.2447	-0.0891	1.2186	-0.6991	-0.3281	0.1824	0.3414	0.0388	0.0001	0.3568	0.0244	0.4164	-51.624	-8.6175	14.5522
133	4.5598	1.1193	2.9284	1.5909	-0.494	5.1374	-0.0435	0.085	0.2034	0.0016	0.0777	0.0378	-0.2457	0.0193	-0.0352	0.1606	-0.0162	0.0221	0.0829	0.0111	0.1494	-39.8896	-6.8778	22.3542
134	8.1878	-4.7421	0.4681	4.0071	1.6618	6.4817	-0.3916	0.2187	-0.3499	1.1645	0.9731	-0.5184	-1.3634	0.9218	-0.4645	0.7531	-0.0571	0.0838	0.7936	0.0582	0.482	-42.4618	-25.0799	1.3396
135	8.8654	6.9441	4.6011	9.0392	5.4089	5.4286	-0.0478	0.4273	-0.2892	-0.3077	0.298	-0.3053	-0.2549	-0.0965	-0.2593	0.2067	-0.0613	0.0227	0.2798	0.0431	0.1783	-39.0673	-12.2856	14.0703
136	2.0532	-0.9411	3.5006	6.36	-3.2639	6.742	0.3112	-1.0896	-0.0867	0.3179	-0.1548	0.303	0.2031	-0.8108	-0.14	0.2001	-0.1433	0.0061	0.345	-0.0073	0.2351	-61.4867	-41.9261	10.9999
137	2.6905	-3.452	3.6085	4.4276	-4.4486	5.9367	-0.5976	0.1966	-2.5347	-0.4891	-0.2952	0.1249	-1.1801	-0.4937	0.7971	0.6151	-0.1451	-0.0531	0.8137	-0.0244	0.8916	-55.5292	-52.1808	15.1278
138	5.2607	-5.0221	-4.2734	4.8563	4.1254	4.3348	-0.2677	1.0819	-1.0547	-0.3614	-0.3111	0.3585	0.4142	-1.0373	0.5849	0.467	-0.1735	-0.0804	0.3024	-0.0811	0.4483	-41.2604	-57.9796	8.4094
139	0.5199	-0.1825	-0.4575	2.0185	-0.6821	0.8069	-0.0849	0.092	-0.0084	-0.0831	0.0545	-0.0034	-0.0722	0.0517	0.0548	0.1322	-0.0459	0.046	0.1416	-0.0224	0.1219	-26.8223	-33.2633	12.2492
140	2.6458	2.7614	4.3402	3.1528	4.8383	7.4136	-0.2142	0.6956	-0.3411	-0.4878	0.1325	-0.1594	-0.2843	-0.0028	0.0004	0.2334	-0.0441	-0.0344	0.2488	-0.0087	0.2725	-40.8032	-42.4988	5.3501
141	4.6644	-5.1343	2.1181	6.4221	-1.3816	6.7565	0.4372	0.4221	-0.4817	-0.252	-0.2632	0.2071	0.2905	-0.5216	-0.1761	0.2192	-0.1031	-0.0236	0.2847	-0.0025	0.192	-58.4668	-46.3748	2.4446
142	8.4794	-4.8637	3.8666	3.9998	-3.4582	3.0325	0.0845	0.7058	0.3617	-0.6047	-0.1017	0.2805	-0.0619	0.5888	0.0287	0.2385	-0.1121	-0.0198	0.2891	0.0297	0.171	-57.2418	-38.5939	2.7993
143	2.3088	0.2829	1.574	0.4198	0.415	1.0875	0.0494	-0.1168	-0.1887	0.0011	0.0023	0.0076	0.1213	-0.185	-0.0555	0.1912	-0.0844	0.0021	0.2207	0.0206	0.1837	-39.8496	-40.2109	13.4377
144	5.4653	5.531	5.4863	5.5969	5.4923	6.9337	-0.1613	0.3865	0.2343	-0.1442	0.2218	0.5499	-0.23	-0.0752	-0.0297	0.1917	-0.0703	0.0031	0.2297	-0.0075	0.1915	-41.8323	-37.5199	8.3175
145	1.8789	1.2175	0.3588	3.694	-0.0829	0.5742	-0.0421	0.1431	-0.1857	-0.2238	-0.0113	-0.3631	0.0168	0.1408	0.0627	0.1622	-0.0365	0.0178	0.1836	-0.0192	0.1637	-22.938	-38.9602	11.0685
146	4.4087	5.344	-4.801	6.4741	-5.826	5.2513	-0.5415	1.4028	-0.365	-1.0479	0.9989	0.1074	0.5522	-0.3621	-0.374	0.4086	-0.0583	-0.008	0.3992	-0.044	0.2694	-30.4896	-39.0007	-2.6008
147	2.2531	1.6862	-0.372	8.8666	2.9556	3.1955	-0.0148	0.1633	-0.111	-0.1162	0.08	-0.2243	-0.1279	0.0166	-0.0757	0.1522	-0.037	0.0132	0.1747	0.008	0.0758	-24.8301	-29.0782	4.837
148	9.4819	-5.8269	0.482	4.0216	-1.3036	2.4063	0.407	0.2393	0.2398	0.3859	0.5787	-0.5318	-1.4187	-0.2689	-0.9145	0.7505	0.1368	-0.0369	0.6134	-0.2034	0.8836	-21.5259	-55.6546	11.9187
149	5.7727	3.2109	-1.9026	1.7878	-1.0154	4.4043	0.3207	-0.4851	-0.9087	0.252	-0.6242	-0.7236	0.4135	0.1567	0.2676	0.2108	-0.0116	-0.0487	0.2053	-0.0257	0.327	-24.682	-46.4791	6.6622
150	5.9098	2.3684	3.867	7.9958	-3.4086	9.7355	-0.0345	-0.3025	0.4435	0.6101	-0.181	-0.2246	-0.5137	-0.0699	0.1895	0.1878	-0.0541	0.0539	0.2453	-0.0325	0.2157	-16.7951	-22.8528	7.3545

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND RESID 1:12)
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 13:17)
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 18:25)
4	X-RAY DIFFRACTION	4	(CHAIN A AND RESID 26:52)
5	X-RAY DIFFRACTION	5	(CHAIN A AND RESID 53:59)
6	X-RAY DIFFRACTION	6	(CHAIN A AND RESID 60:76)
7	X-RAY DIFFRACTION	7	(CHAIN A AND RESID 77:112)
8	X-RAY DIFFRACTION	8	(CHAIN A AND RESID 113:117)
9	X-RAY DIFFRACTION	9	(CHAIN A AND RESID 118:132)
10	X-RAY DIFFRACTION	10	(CHAIN A AND RESID 133:139)
11	X-RAY DIFFRACTION	11	(CHAIN A AND RESID 140:155)
12	X-RAY DIFFRACTION	12	(CHAIN A AND RESID 156:180)
13	X-RAY DIFFRACTION	13	(CHAIN A AND RESID 181:185)
14	X-RAY DIFFRACTION	14	(CHAIN A AND RESID 186:194)
15	X-RAY DIFFRACTION	15	(CHAIN A AND RESID 195:205)
16	X-RAY DIFFRACTION	16	(CHAIN B AND RESID 1:12)
17	X-RAY DIFFRACTION	17	(CHAIN B AND RESID 13:17)
18	X-RAY DIFFRACTION	18	(CHAIN B AND RESID 18:25)
19	X-RAY DIFFRACTION	19	(CHAIN B AND RESID 26:60)
20	X-RAY DIFFRACTION	20	(CHAIN B AND RESID 61:77)
21	X-RAY DIFFRACTION	21	(CHAIN B AND RESID 78:112)
22	X-RAY DIFFRACTION	22	(CHAIN B AND RESID 113:117)
23	X-RAY DIFFRACTION	23	(CHAIN B AND RESID 118:129)
24	X-RAY DIFFRACTION	24	(CHAIN B AND RESID 130:135)
25	X-RAY DIFFRACTION	25	(CHAIN B AND RESID 136:154)
26	X-RAY DIFFRACTION	26	(CHAIN B AND RESID 155:160)
27	X-RAY DIFFRACTION	27	(CHAIN B AND RESID 161:183)
28	X-RAY DIFFRACTION	28	(CHAIN B AND RESID 184:190)
29	X-RAY DIFFRACTION	29	(CHAIN B AND RESID 191:200)
30	X-RAY DIFFRACTION	30	(CHAIN B AND RESID 201:205)
31	X-RAY DIFFRACTION	31	(CHAIN C AND RESID 1:12)
32	X-RAY DIFFRACTION	32	(CHAIN C AND RESID 13:17)
33	X-RAY DIFFRACTION	33	(CHAIN C AND RESID 18:24)
34	X-RAY DIFFRACTION	34	(CHAIN C AND RESID 25:54)
35	X-RAY DIFFRACTION	35	(CHAIN C AND RESID 55:64)
36	X-RAY DIFFRACTION	36	(CHAIN C AND RESID 65:72)
37	X-RAY DIFFRACTION	37	(CHAIN C AND RESID 73:112)
38	X-RAY DIFFRACTION	38	(CHAIN C AND RESID 113:117)
39	X-RAY DIFFRACTION	39	(CHAIN C AND RESID 118:129)
40	X-RAY DIFFRACTION	40	(CHAIN C AND RESID 130:135)
41	X-RAY DIFFRACTION	41	(CHAIN C AND RESID 136:154)
42	X-RAY DIFFRACTION	42	(CHAIN C AND RESID 155:160)
43	X-RAY DIFFRACTION	43	(CHAIN C AND RESID 161:183)
44	X-RAY DIFFRACTION	44	(CHAIN C AND RESID 184:190)
45	X-RAY DIFFRACTION	45	(CHAIN C AND RESID 191:205)
46	X-RAY DIFFRACTION	46	(CHAIN D AND RESID 1:12)
47	X-RAY DIFFRACTION	47	(CHAIN D AND RESID 13:17)
48	X-RAY DIFFRACTION	48	(CHAIN D AND RESID 18:25)
49	X-RAY DIFFRACTION	49	(CHAIN D AND RESID 26:53)
50	X-RAY DIFFRACTION	50	(CHAIN D AND RESID 54:64)
51	X-RAY DIFFRACTION	51	(CHAIN D AND RESID 65:72)
52	X-RAY DIFFRACTION	52	(CHAIN D AND RESID 73:112)
53	X-RAY DIFFRACTION	53	(CHAIN D AND RESID 113:117)
54	X-RAY DIFFRACTION	54	(CHAIN D AND RESID 118:129)
55	X-RAY DIFFRACTION	55	(CHAIN D AND RESID 130:135)
56	X-RAY DIFFRACTION	56	(CHAIN D AND RESID 136:154)
57	X-RAY DIFFRACTION	57	(CHAIN D AND RESID 155:160)
58	X-RAY DIFFRACTION	58	(CHAIN D AND RESID 161:183)
59	X-RAY DIFFRACTION	59	(CHAIN D AND RESID 184:191)
60	X-RAY DIFFRACTION	60	(CHAIN D AND RESID 192:205)
61	X-RAY DIFFRACTION	61	(CHAIN E AND RESID 1:12)
62	X-RAY DIFFRACTION	62	(CHAIN E AND RESID 13:17)
63	X-RAY DIFFRACTION	63	(CHAIN E AND RESID 18:25)
64	X-RAY DIFFRACTION	64	(CHAIN E AND RESID 26:54)
65	X-RAY DIFFRACTION	65	(CHAIN E AND RESID 55:64)
66	X-RAY DIFFRACTION	66	(CHAIN E AND RESID 65:72)
67	X-RAY DIFFRACTION	67	(CHAIN E AND RESID 73:112)
68	X-RAY DIFFRACTION	68	(CHAIN E AND RESID 113:117)
69	X-RAY DIFFRACTION	69	(CHAIN E AND RESID 118:132)
70	X-RAY DIFFRACTION	70	(CHAIN E AND RESID 133:138)
71	X-RAY DIFFRACTION	71	(CHAIN E AND RESID 139:160)
72	X-RAY DIFFRACTION	72	(CHAIN E AND RESID 161:182)
73	X-RAY DIFFRACTION	73	(CHAIN E AND RESID 183:188)
74	X-RAY DIFFRACTION	74	(CHAIN E AND RESID 189:193)
75	X-RAY DIFFRACTION	75	(CHAIN E AND RESID 194:205)
76	X-RAY DIFFRACTION	76	(CHAIN F AND RESID 1:12)
77	X-RAY DIFFRACTION	77	(CHAIN F AND RESID 13:17)
78	X-RAY DIFFRACTION	78	(CHAIN F AND RESID 18:25)
79	X-RAY DIFFRACTION	79	(CHAIN F AND RESID 26:53)
80	X-RAY DIFFRACTION	80	(CHAIN F AND RESID 54:64)
81	X-RAY DIFFRACTION	81	(CHAIN F AND RESID 65:72)
82	X-RAY DIFFRACTION	82	(CHAIN F AND RESID 73:112)
83	X-RAY DIFFRACTION	83	(CHAIN F AND RESID 113:117)
84	X-RAY DIFFRACTION	84	(CHAIN F AND RESID 118:130)
85	X-RAY DIFFRACTION	85	(CHAIN F AND RESID 131:136)
86	X-RAY DIFFRACTION	86	(CHAIN F AND RESID 137:154)
87	X-RAY DIFFRACTION	87	(CHAIN F AND RESID 155:171)
88	X-RAY DIFFRACTION	88	(CHAIN F AND RESID 172:183)
89	X-RAY DIFFRACTION	89	(CHAIN F AND RESID 184:191)
90	X-RAY DIFFRACTION	90	(CHAIN F AND RESID 192:205)
91	X-RAY DIFFRACTION	91	(CHAIN G AND RESID 1:12)
92	X-RAY DIFFRACTION	92	(CHAIN G AND RESID 13:17)
93	X-RAY DIFFRACTION	93	(CHAIN G AND RESID 18:25)
94	X-RAY DIFFRACTION	94	(CHAIN G AND RESID 26:54)
95	X-RAY DIFFRACTION	95	(CHAIN G AND RESID 55:64)
96	X-RAY DIFFRACTION	96	(CHAIN G AND RESID 65:75)
97	X-RAY DIFFRACTION	97	(CHAIN G AND RESID 76:112)
98	X-RAY DIFFRACTION	98	(CHAIN G AND RESID 113:117)
99	X-RAY DIFFRACTION	99	(CHAIN G AND RESID 118:129)
100	X-RAY DIFFRACTION	100	(CHAIN G AND RESID 130:135)
101	X-RAY DIFFRACTION	101	(CHAIN G AND RESID 136:149)
102	X-RAY DIFFRACTION	102	(CHAIN G AND RESID 150:155)
103	X-RAY DIFFRACTION	103	(CHAIN G AND RESID 156:183)
104	X-RAY DIFFRACTION	104	(CHAIN G AND RESID 184:191)
105	X-RAY DIFFRACTION	105	(CHAIN G AND RESID 192:205)
106	X-RAY DIFFRACTION	106	(CHAIN H AND RESID 1:12)
107	X-RAY DIFFRACTION	107	(CHAIN H AND RESID 13:17)
108	X-RAY DIFFRACTION	108	(CHAIN H AND RESID 18:24)
109	X-RAY DIFFRACTION	109	(CHAIN H AND RESID 25:30)
110	X-RAY DIFFRACTION	110	(CHAIN H AND RESID 31:54)
111	X-RAY DIFFRACTION	111	(CHAIN H AND RESID 55:64)
112	X-RAY DIFFRACTION	112	(CHAIN H AND RESID 65:72)
113	X-RAY DIFFRACTION	113	(CHAIN H AND RESID 73:129)
114	X-RAY DIFFRACTION	114	(CHAIN H AND RESID 130:135)
115	X-RAY DIFFRACTION	115	(CHAIN H AND RESID 136:154)
116	X-RAY DIFFRACTION	116	(CHAIN H AND RESID 155:172)
117	X-RAY DIFFRACTION	117	(CHAIN H AND RESID 173:183)
118	X-RAY DIFFRACTION	118	(CHAIN H AND RESID 184:189)
119	X-RAY DIFFRACTION	119	(CHAIN H AND RESID 190:200)
120	X-RAY DIFFRACTION	120	(CHAIN H AND RESID 201:205)
121	X-RAY DIFFRACTION	121	(CHAIN I AND RESID 1:14)
122	X-RAY DIFFRACTION	122	(CHAIN I AND RESID 15:22)
123	X-RAY DIFFRACTION	123	(CHAIN I AND RESID 23:27)
124	X-RAY DIFFRACTION	124	(CHAIN I AND RESID 28:54)
125	X-RAY DIFFRACTION	125	(CHAIN I AND RESID 55:64)
126	X-RAY DIFFRACTION	126	(CHAIN I AND RESID 65:72)
127	X-RAY DIFFRACTION	127	(CHAIN I AND RESID 73:112)
128	X-RAY DIFFRACTION	128	(CHAIN I AND RESID 113:117)
129	X-RAY DIFFRACTION	129	(CHAIN I AND RESID 118:129)
130	X-RAY DIFFRACTION	130	(CHAIN I AND RESID 130:135)
131	X-RAY DIFFRACTION	131	(CHAIN I AND RESID 136:154)
132	X-RAY DIFFRACTION	132	(CHAIN I AND RESID 155:160)
133	X-RAY DIFFRACTION	133	(CHAIN I AND RESID 161:182)
134	X-RAY DIFFRACTION	134	(CHAIN I AND RESID 183:190)
135	X-RAY DIFFRACTION	135	(CHAIN I AND RESID 191:205)
136	X-RAY DIFFRACTION	136	(CHAIN J AND RESID 1:12)
137	X-RAY DIFFRACTION	137	(CHAIN J AND RESID 13:17)
138	X-RAY DIFFRACTION	138	(CHAIN J AND RESID 18:25)
139	X-RAY DIFFRACTION	139	(CHAIN J AND RESID 26:53)
140	X-RAY DIFFRACTION	140	(CHAIN J AND RESID 54:60)
141	X-RAY DIFFRACTION	141	(CHAIN J AND RESID 61:71)
142	X-RAY DIFFRACTION	142	(CHAIN J AND RESID 72:76)
143	X-RAY DIFFRACTION	143	(CHAIN J AND RESID 77:112)
144	X-RAY DIFFRACTION	144	(CHAIN J AND RESID 113:117)
145	X-RAY DIFFRACTION	145	(CHAIN J AND RESID 118:154)
146	X-RAY DIFFRACTION	146	(CHAIN J AND RESID 155:160)
147	X-RAY DIFFRACTION	147	(CHAIN J AND RESID 161:183)
148	X-RAY DIFFRACTION	148	(CHAIN J AND RESID 184:190)
149	X-RAY DIFFRACTION	149	(CHAIN J AND RESID 191:200)
150	X-RAY DIFFRACTION	150	(CHAIN J AND RESID 201:205)