FMO DATABASE

FMODB ID: 8936Y

Calculation Name: 4FVM-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4FVM

Chain ID: A

ChEMBL ID:

UniProt ID: P13382

Base Structure: X-ray

Registration Date: 2023-09-24

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	831
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22176053.885484
FMO2-HF: Nuclear repulsion	21838451.031696
FMO2-HF: Total energy	-337602.853789
FMO2-MP2: Total energy	-338568.843185

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:349:THR)

Summations of interaction energy for fragment #1(A:349:THR)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
0.423	3.881	0.023	-1.657	-1.824	0.004

Interaction energy analysis for fragmet #1(A:349:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.028 / q_NPA : -0.032

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	351	THR	0	-0.055	-0.020	3.317	-1.164	2.198	0.024	-1.654	-1.733	0.004
4	A	352	PHE	0	0.001	0.002	5.260	0.698	0.794	-0.001	-0.003	-0.091	0.000
5	A	353	GLN	0	-0.017	-0.009	5.153	0.175	0.175	0.000	0.000	0.000	0.000
6	A	354	MET	0	-0.043	-0.013	8.616	-0.136	-0.136	0.000	0.000	0.000	0.000
7	A	355	PHE	0	0.012	0.002	12.371	-0.018	-0.018	0.000	0.000	0.000	0.000
8	A	356	TRP	0	-0.042	-0.020	14.913	-0.039	-0.039	0.000	0.000	0.000	0.000
9	A	357	LEU	0	-0.033	-0.034	17.885	-0.001	-0.001	0.000	0.000	0.000	0.000
10	A	358	ASP	-1	-0.814	-0.910	21.440	0.044	0.044	0.000	0.000	0.000	0.000
11	A	359	TYR	0	-0.045	-0.030	22.505	0.003	0.003	0.000	0.000	0.000	0.000
12	A	360	CYS	0	-0.020	0.005	24.654	-0.003	-0.003	0.000	0.000	0.000	0.000
13	A	361	GLU	-1	-0.786	-0.882	26.393	-0.008	-0.008	0.000	0.000	0.000	0.000
14	A	362	VAL	0	-0.023	-0.022	27.605	0.001	0.001	0.000	0.000	0.000	0.000
15	A	363	ASN	0	-0.026	0.002	28.855	-0.002	-0.002	0.000	0.000	0.000	0.000
16	A	364	ASN	0	-0.016	-0.004	29.793	-0.003	-0.003	0.000	0.000	0.000	0.000
17	A	365	THR	0	-0.026	-0.008	24.719	-0.005	-0.005	0.000	0.000	0.000	0.000
18	A	366	LEU	0	0.012	0.003	22.345	0.008	0.008	0.000	0.000	0.000	0.000
19	A	367	ILE	0	-0.005	-0.010	22.002	-0.006	-0.006	0.000	0.000	0.000	0.000
20	A	368	LEU	0	-0.023	0.004	17.561	0.009	0.009	0.000	0.000	0.000	0.000
21	A	369	PHE	0	0.018	-0.006	19.662	-0.002	-0.002	0.000	0.000	0.000	0.000
22	A	370	GLY	0	0.051	0.010	17.597	0.006	0.006	0.000	0.000	0.000	0.000
23	A	371	LYS	1	0.803	0.902	16.181	-0.198	-0.198	0.000	0.000	0.000	0.000
24	A	372	VAL	0	0.040	0.019	10.458	0.044	0.044	0.000	0.000	0.000	0.000
25	A	373	LYS	1	0.970	0.984	9.655	-0.784	-0.784	0.000	0.000	0.000	0.000
26	A	374	LEU	0	-0.019	-0.002	10.312	0.004	0.004	0.000	0.000	0.000	0.000
27	A	375	LYS	1	0.976	0.967	10.648	-0.131	-0.131	0.000	0.000	0.000	0.000
28	A	376	ASP	-1	-0.864	-0.930	11.608	0.329	0.329	0.000	0.000	0.000	0.000
29	A	377	ASP	-1	-0.925	-0.956	12.940	0.569	0.569	0.000	0.000	0.000	0.000
30	A	378	ASN	0	-0.062	-0.014	13.919	-0.020	-0.020	0.000	0.000	0.000	0.000
31	A	379	CYS	0	-0.046	-0.030	14.615	0.040	0.040	0.000	0.000	0.000	0.000
32	A	380	VAL	0	-0.022	0.000	15.449	-0.038	-0.038	0.000	0.000	0.000	0.000
33	A	381	SER	0	-0.036	-0.043	16.669	0.019	0.019	0.000	0.000	0.000	0.000
34	A	382	ALA	0	-0.014	-0.017	15.529	-0.008	-0.008	0.000	0.000	0.000	0.000
35	A	383	MET	0	-0.001	-0.002	17.467	0.006	0.006	0.000	0.000	0.000	0.000
36	A	384	VAL	0	0.036	0.013	15.084	-0.013	-0.013	0.000	0.000	0.000	0.000
37	A	385	GLN	0	-0.015	-0.013	18.012	-0.006	-0.006	0.000	0.000	0.000	0.000
38	A	386	ILE	0	-0.010	-0.016	18.479	-0.020	-0.020	0.000	0.000	0.000	0.000
39	A	387	ASN	0	-0.011	0.007	20.619	0.019	0.019	0.000	0.000	0.000	0.000
40	A	388	GLY	0	0.083	0.034	21.473	-0.006	-0.006	0.000	0.000	0.000	0.000
41	A	389	LEU	0	-0.059	-0.025	22.377	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	390	CYS	0	-0.083	-0.030	24.675	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	391	ARG	1	0.922	0.979	27.723	0.038	0.038	0.000	0.000	0.000	0.000
44	A	392	GLU	-1	-0.941	-0.977	27.348	-0.057	-0.057	0.000	0.000	0.000	0.000
45	A	393	LEU	0	-0.007	0.003	31.047	0.004	0.004	0.000	0.000	0.000	0.000
46	A	394	PHE	0	-0.012	-0.016	31.545	-0.005	-0.005	0.000	0.000	0.000	0.000
47	A	395	PHE	0	0.003	0.008	36.785	0.003	0.003	0.000	0.000	0.000	0.000
48	A	396	LEU	0	0.024	0.004	40.201	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	397	PRO	0	-0.006	0.003	41.941	0.001	0.001	0.000	0.000	0.000	0.000
50	A	398	ARG	1	0.914	0.949	45.084	0.027	0.027	0.000	0.000	0.000	0.000
51	A	399	GLU	-1	-0.903	-0.952	48.864	-0.023	-0.023	0.000	0.000	0.000	0.000
52	A	400	GLY	0	-0.029	-0.010	50.203	0.000	0.000	0.000	0.000	0.000	0.000
53	A	401	LYS	1	0.871	0.953	47.561	0.029	0.029	0.000	0.000	0.000	0.000
54	A	402	THR	0	0.018	0.004	43.971	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	403	PRO	0	0.032	-0.011	39.463	0.000	0.000	0.000	0.000	0.000	0.000
56	A	404	THR	0	-0.009	-0.013	41.151	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	405	ASP	-1	-0.810	-0.898	42.080	-0.040	-0.040	0.000	0.000	0.000	0.000
58	A	406	ILE	0	0.001	0.003	41.253	0.000	0.000	0.000	0.000	0.000	0.000
59	A	407	HIS	0	-0.094	-0.064	36.963	-0.004	-0.004	0.000	0.000	0.000	0.000
60	A	408	GLU	-1	-0.941	-0.979	40.720	-0.048	-0.048	0.000	0.000	0.000	0.000
61	A	409	GLU	-1	-0.821	-0.848	43.705	-0.036	-0.036	0.000	0.000	0.000	0.000
62	A	410	ILE	0	0.026	-0.005	39.640	-0.001	-0.001	0.000	0.000	0.000	0.000
63	A	411	ILE	0	-0.023	0.001	36.513	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	412	PRO	0	0.032	-0.002	39.628	-0.002	-0.002	0.000	0.000	0.000	0.000
65	A	413	LEU	0	0.022	0.016	41.925	0.000	0.000	0.000	0.000	0.000	0.000
66	A	414	LEU	0	-0.072	-0.034	37.636	0.001	0.001	0.000	0.000	0.000	0.000
67	A	415	MET	0	-0.051	-0.030	36.618	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	416	ASP	-1	-0.926	-0.937	38.913	-0.047	-0.047	0.000	0.000	0.000	0.000
69	A	417	LYS	1	0.926	0.977	40.748	0.038	0.038	0.000	0.000	0.000	0.000
70	A	418	TYR	0	-0.058	-0.038	36.216	0.001	0.001	0.000	0.000	0.000	0.000
71	A	419	GLY	0	0.005	0.001	37.136	-0.002	-0.002	0.000	0.000	0.000	0.000
72	A	420	LEU	0	-0.092	-0.056	32.200	-0.005	-0.005	0.000	0.000	0.000	0.000
73	A	421	ASP	-1	-0.871	-0.925	33.397	-0.086	-0.086	0.000	0.000	0.000	0.000
74	A	422	ASN	0	-0.050	-0.040	29.773	0.001	0.001	0.000	0.000	0.000	0.000
75	A	423	ILE	0	0.014	0.014	32.233	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	424	ARG	1	0.893	0.951	24.895	0.131	0.131	0.000	0.000	0.000	0.000
77	A	425	ALA	0	0.077	0.035	30.906	0.004	0.004	0.000	0.000	0.000	0.000
78	A	426	LYS	1	0.905	0.962	27.916	0.081	0.081	0.000	0.000	0.000	0.000
79	A	427	PRO	0	0.060	0.030	33.959	0.003	0.003	0.000	0.000	0.000	0.000
80	A	428	GLN	0	-0.113	-0.093	30.362	-0.011	-0.011	0.000	0.000	0.000	0.000
81	A	429	LYS	1	0.955	1.011	34.857	0.038	0.038	0.000	0.000	0.000	0.000
82	A	430	MET	0	-0.007	0.039	32.252	-0.003	-0.003	0.000	0.000	0.000	0.000
83	A	431	LYS	1	0.956	0.984	34.898	0.025	0.025	0.000	0.000	0.000	0.000
84	A	432	TYR	0	0.030	0.013	37.861	0.001	0.001	0.000	0.000	0.000	0.000
85	A	433	SER	0	0.006	-0.002	40.228	0.000	0.000	0.000	0.000	0.000	0.000
86	A	434	PHE	0	-0.034	-0.019	37.451	0.002	0.002	0.000	0.000	0.000	0.000
87	A	435	GLU	-1	-0.772	-0.909	43.077	-0.006	-0.006	0.000	0.000	0.000	0.000
88	A	436	LEU	0	-0.011	0.013	43.662	0.000	0.000	0.000	0.000	0.000	0.000
89	A	437	PRO	0	0.036	0.009	46.828	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	438	ASP	-1	-0.864	-0.929	48.946	-0.017	-0.017	0.000	0.000	0.000	0.000
91	A	439	ILE	0	-0.053	-0.015	42.942	-0.002	-0.002	0.000	0.000	0.000	0.000
92	A	440	PRO	0	-0.001	0.004	44.812	0.001	0.001	0.000	0.000	0.000	0.000
93	A	441	SER	0	0.031	0.010	43.863	0.000	0.000	0.000	0.000	0.000	0.000
94	A	442	GLU	-1	-0.934	-0.981	38.940	-0.030	-0.030	0.000	0.000	0.000	0.000
95	A	443	SER	0	-0.045	-0.019	40.598	0.001	0.001	0.000	0.000	0.000	0.000
96	A	444	ASP	-1	-0.885	-0.940	39.221	-0.042	-0.042	0.000	0.000	0.000	0.000
97	A	445	TYR	0	0.043	0.002	37.035	0.001	0.001	0.000	0.000	0.000	0.000
98	A	446	LEU	0	-0.025	-0.001	36.715	-0.004	-0.004	0.000	0.000	0.000	0.000
99	A	447	LYS	1	0.904	0.957	27.837	0.070	0.070	0.000	0.000	0.000	0.000
100	A	448	VAL	0	0.010	-0.004	33.222	-0.006	-0.006	0.000	0.000	0.000	0.000
101	A	449	LEU	0	-0.052	-0.028	26.648	0.001	0.001	0.000	0.000	0.000	0.000
102	A	450	LEU	0	0.069	0.025	30.579	-0.005	-0.005	0.000	0.000	0.000	0.000
103	A	451	PRO	0	0.003	-0.004	28.645	0.004	0.004	0.000	0.000	0.000	0.000
104	A	452	TYR	0	-0.053	-0.044	27.842	0.006	0.006	0.000	0.000	0.000	0.000
105	A	453	GLN	0	-0.057	-0.046	25.828	-0.002	-0.002	0.000	0.000	0.000	0.000
106	A	454	THR	0	0.006	0.011	30.386	-0.005	-0.005	0.000	0.000	0.000	0.000
107	A	455	PRO	0	-0.006	-0.002	33.100	0.003	0.003	0.000	0.000	0.000	0.000
108	A	456	LYS	1	0.939	0.974	35.479	0.054	0.054	0.000	0.000	0.000	0.000
109	A	457	SER	0	0.054	0.021	37.847	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	458	SER	0	0.014	0.017	34.301	0.002	0.002	0.000	0.000	0.000	0.000
111	A	459	ARG	1	0.875	0.939	35.804	0.025	0.025	0.000	0.000	0.000	0.000
112	A	460	ASP	-1	-0.907	-0.949	38.088	-0.028	-0.028	0.000	0.000	0.000	0.000
113	A	461	THR	0	-0.036	-0.026	37.177	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	462	ILE	0	-0.026	-0.011	37.834	0.001	0.001	0.000	0.000	0.000	0.000
115	A	463	PRO	0	-0.009	0.003	40.623	0.001	0.001	0.000	0.000	0.000	0.000
116	A	464	SER	0	0.058	0.018	42.537	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	465	ASP	-1	-0.933	-0.968	43.505	-0.020	-0.020	0.000	0.000	0.000	0.000
118	A	466	LEU	0	-0.064	-0.018	43.534	0.000	0.000	0.000	0.000	0.000	0.000
119	A	467	SER	0	-0.017	-0.013	46.706	0.000	0.000	0.000	0.000	0.000	0.000
120	A	468	SER	0	0.052	0.003	47.256	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	469	ASP	-1	-0.905	-0.935	49.285	-0.026	-0.026	0.000	0.000	0.000	0.000
122	A	470	THR	0	-0.078	-0.079	46.344	0.000	0.000	0.000	0.000	0.000	0.000
123	A	471	PHE	0	-0.024	-0.029	44.313	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	472	TYR	0	-0.051	-0.032	46.366	0.000	0.000	0.000	0.000	0.000	0.000
125	A	473	HIS	0	0.068	0.031	42.142	0.003	0.003	0.000	0.000	0.000	0.000
126	A	474	VAL	0	-0.040	-0.008	39.203	-0.003	-0.003	0.000	0.000	0.000	0.000
127	A	475	PHE	0	0.030	0.027	37.356	0.002	0.002	0.000	0.000	0.000	0.000
128	A	476	GLY	0	0.068	0.026	34.853	-0.004	-0.004	0.000	0.000	0.000	0.000
129	A	477	GLY	0	0.039	0.039	34.819	-0.002	-0.002	0.000	0.000	0.000	0.000
130	A	478	ASN	0	-0.043	-0.036	36.508	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	479	SER	0	-0.046	-0.029	31.432	0.004	0.004	0.000	0.000	0.000	0.000
132	A	480	ASN	0	-0.021	-0.043	30.130	0.001	0.001	0.000	0.000	0.000	0.000
133	A	481	ILE	0	0.039	0.022	26.165	-0.001	-0.001	0.000	0.000	0.000	0.000
134	A	482	PHE	0	0.010	0.001	23.623	0.000	0.000	0.000	0.000	0.000	0.000
135	A	483	GLU	-1	-0.837	-0.907	25.604	-0.002	-0.002	0.000	0.000	0.000	0.000
136	A	484	SER	0	0.021	0.021	26.764	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	485	PHE	0	0.013	0.001	17.702	-0.004	-0.004	0.000	0.000	0.000	0.000
138	A	486	VAL	0	-0.016	-0.002	21.919	0.001	0.001	0.000	0.000	0.000	0.000
139	A	487	ILE	0	0.033	0.017	22.923	0.003	0.003	0.000	0.000	0.000	0.000
140	A	488	GLN	0	-0.014	0.000	23.061	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	489	ASN	0	-0.095	-0.055	17.124	-0.016	-0.016	0.000	0.000	0.000	0.000
142	A	490	ARG	1	0.913	0.960	18.168	0.058	0.058	0.000	0.000	0.000	0.000
143	A	491	ILE	0	-0.001	0.007	17.310	0.014	0.014	0.000	0.000	0.000	0.000
144	A	492	MET	0	-0.011	0.001	19.920	-0.011	-0.011	0.000	0.000	0.000	0.000
145	A	493	GLY	0	0.048	0.027	21.338	0.011	0.011	0.000	0.000	0.000	0.000
146	A	494	PRO	0	-0.029	-0.001	19.879	0.007	0.007	0.000	0.000	0.000	0.000
147	A	495	CYS	0	-0.015	-0.016	15.205	-0.010	-0.010	0.000	0.000	0.000	0.000
148	A	496	TRP	0	-0.011	-0.007	10.894	0.027	0.027	0.000	0.000	0.000	0.000
149	A	497	LEU	0	-0.032	-0.013	12.053	-0.057	-0.057	0.000	0.000	0.000	0.000
150	A	498	ASP	-1	-0.802	-0.904	6.822	1.256	1.256	0.000	0.000	0.000	0.000
151	A	499	ILE	0	-0.041	-0.023	8.785	-0.239	-0.239	0.000	0.000	0.000	0.000
152	A	500	LYS	1	0.973	0.990	8.571	0.394	0.394	0.000	0.000	0.000	0.000
153	A	501	GLY	0	-0.002	-0.017	9.547	0.050	0.050	0.000	0.000	0.000	0.000
154	A	502	ALA	0	-0.020	-0.004	11.199	0.074	0.074	0.000	0.000	0.000	0.000
155	A	503	ASP	-1	-0.832	-0.922	13.004	-0.343	-0.343	0.000	0.000	0.000	0.000
156	A	504	PHE	0	-0.010	-0.030	10.190	0.059	0.059	0.000	0.000	0.000	0.000
157	A	505	ASN	0	-0.033	-0.015	15.956	0.050	0.050	0.000	0.000	0.000	0.000
158	A	506	SER	0	-0.058	-0.005	19.468	0.028	0.028	0.000	0.000	0.000	0.000
159	A	507	ILE	0	-0.040	-0.012	20.391	0.018	0.018	0.000	0.000	0.000	0.000
160	A	508	ARG	1	1.001	0.990	22.117	0.112	0.112	0.000	0.000	0.000	0.000
161	A	509	ASN	0	-0.045	-0.014	24.685	0.009	0.009	0.000	0.000	0.000	0.000
162	A	510	ALA	0	0.041	0.024	24.300	0.003	0.003	0.000	0.000	0.000	0.000
163	A	511	SER	0	-0.051	-0.064	22.861	0.011	0.011	0.000	0.000	0.000	0.000
164	A	512	HIS	0	-0.117	-0.074	25.277	-0.003	-0.003	0.000	0.000	0.000	0.000
165	A	513	CYS	0	-0.031	-0.003	20.059	0.013	0.013	0.000	0.000	0.000	0.000
166	A	514	ALA	0	-0.015	0.006	18.348	-0.013	-0.013	0.000	0.000	0.000	0.000
167	A	515	VAL	0	-0.001	-0.003	13.632	-0.016	-0.016	0.000	0.000	0.000	0.000
168	A	516	GLU	-1	-0.803	-0.892	17.063	-0.005	-0.005	0.000	0.000	0.000	0.000
169	A	517	VAL	0	0.018	0.025	13.396	-0.028	-0.028	0.000	0.000	0.000	0.000
170	A	518	SER	0	-0.038	-0.016	16.694	0.030	0.030	0.000	0.000	0.000	0.000
171	A	519	VAL	0	0.022	0.007	14.373	-0.033	-0.033	0.000	0.000	0.000	0.000
172	A	520	ASP	-1	-0.821	-0.925	17.179	-0.223	-0.223	0.000	0.000	0.000	0.000
173	A	521	LYS	1	0.932	0.976	16.558	0.294	0.294	0.000	0.000	0.000	0.000
174	A	522	PRO	0	0.048	0.020	17.157	-0.006	-0.006	0.000	0.000	0.000	0.000
175	A	523	GLN	0	-0.012	-0.010	16.896	0.002	0.002	0.000	0.000	0.000	0.000
176	A	524	ASN	0	-0.068	-0.032	12.987	-0.041	-0.041	0.000	0.000	0.000	0.000
177	A	525	ILE	0	0.004	0.013	11.930	0.026	0.026	0.000	0.000	0.000	0.000
178	A	526	THR	0	-0.001	0.002	10.944	-0.060	-0.060	0.000	0.000	0.000	0.000
179	A	527	PRO	0	0.000	0.008	12.103	0.085	0.085	0.000	0.000	0.000	0.000
180	A	528	THR	0	0.007	0.013	8.789	-0.067	-0.067	0.000	0.000	0.000	0.000
181	A	529	THR	0	0.001	-0.015	11.804	-0.011	-0.011	0.000	0.000	0.000	0.000
182	A	530	THR	0	-0.038	-0.015	10.167	-0.042	-0.042	0.000	0.000	0.000	0.000
183	A	531	LYS	1	0.949	0.966	13.136	-0.137	-0.137	0.000	0.000	0.000	0.000
184	A	532	THR	0	-0.020	0.012	14.766	-0.010	-0.010	0.000	0.000	0.000	0.000
185	A	533	MET	0	-0.041	-0.009	15.608	0.008	0.008	0.000	0.000	0.000	0.000
186	A	534	PRO	0	0.004	0.015	15.431	0.003	0.003	0.000	0.000	0.000	0.000
187	A	535	ASN	0	0.000	-0.012	17.445	-0.025	-0.025	0.000	0.000	0.000	0.000
188	A	536	LEU	0	-0.020	-0.010	20.410	0.002	0.002	0.000	0.000	0.000	0.000
189	A	537	ARG	1	0.879	0.938	22.812	-0.130	-0.130	0.000	0.000	0.000	0.000
190	A	538	CYS	0	-0.006	0.014	25.160	-0.008	-0.008	0.000	0.000	0.000	0.000
191	A	539	LEU	0	0.012	-0.005	28.638	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	540	SER	0	-0.057	-0.024	31.693	-0.004	-0.004	0.000	0.000	0.000	0.000
193	A	541	LEU	0	0.019	-0.019	35.137	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	542	SER	0	-0.012	-0.001	37.658	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	543	ILE	0	0.005	-0.005	40.337	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	544	GLN	0	0.030	0.033	43.794	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	545	THR	0	-0.016	-0.022	47.250	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	546	LEU	0	0.007	-0.004	49.482	0.000	0.000	0.000	0.000	0.000	0.000
199	A	547	MET	0	0.003	0.023	52.938	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	548	ASN	0	0.013	0.004	55.065	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	549	PRO	0	-0.017	-0.020	56.909	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	550	LYS	1	0.906	0.959	59.577	-0.009	-0.009	0.000	0.000	0.000	0.000
203	A	551	GLU	-1	-0.900	-0.957	56.162	0.008	0.008	0.000	0.000	0.000	0.000
204	A	552	ASN	0	-0.073	-0.023	56.536	0.001	0.001	0.000	0.000	0.000	0.000
205	A	553	LYS	1	0.989	1.001	51.389	-0.009	-0.009	0.000	0.000	0.000	0.000
206	A	554	GLN	0	0.008	0.001	49.113	0.000	0.000	0.000	0.000	0.000	0.000
207	A	555	GLU	-1	-0.917	-0.967	49.369	0.014	0.014	0.000	0.000	0.000	0.000
208	A	556	ILE	0	0.022	0.008	43.519	0.001	0.001	0.000	0.000	0.000	0.000
209	A	557	VAL	0	-0.029	0.003	47.599	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	558	SER	0	0.007	-0.018	45.934	0.000	0.000	0.000	0.000	0.000	0.000
211	A	559	ILE	0	0.023	0.010	39.519	0.000	0.000	0.000	0.000	0.000	0.000
212	A	560	THR	0	-0.018	0.006	39.899	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	561	LEU	0	-0.020	-0.016	35.160	0.000	0.000	0.000	0.000	0.000	0.000
214	A	562	SER	0	0.027	0.014	35.658	0.001	0.001	0.000	0.000	0.000	0.000
215	A	563	ALA	0	0.010	0.003	30.347	0.001	0.001	0.000	0.000	0.000	0.000
216	A	564	TYR	0	0.045	0.015	29.895	-0.002	-0.002	0.000	0.000	0.000	0.000
217	A	565	ARG	1	0.794	0.874	25.403	-0.092	-0.092	0.000	0.000	0.000	0.000
218	A	566	ASN	0	0.011	0.002	22.626	0.028	0.028	0.000	0.000	0.000	0.000
219	A	567	ILE	0	0.022	0.025	24.832	0.000	0.000	0.000	0.000	0.000	0.000
220	A	568	SER	0	0.046	0.022	21.803	0.005	0.005	0.000	0.000	0.000	0.000
221	A	569	LEU	0	-0.012	-0.025	23.195	-0.012	-0.012	0.000	0.000	0.000	0.000
222	A	570	ASP	-1	-0.839	-0.920	19.318	0.215	0.215	0.000	0.000	0.000	0.000
223	A	571	SER	0	-0.067	-0.035	22.798	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	572	PRO	0	-0.017	0.008	25.954	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	573	ILE	0	0.000	-0.005	28.719	0.005	0.005	0.000	0.000	0.000	0.000
226	A	574	PRO	0	-0.033	-0.002	30.412	-0.006	-0.006	0.000	0.000	0.000	0.000
227	A	575	GLU	-1	-0.897	-0.964	33.375	0.066	0.066	0.000	0.000	0.000	0.000
228	A	576	ASN	0	-0.088	-0.048	36.813	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	577	ILE	0	-0.008	0.017	30.247	0.000	0.000	0.000	0.000	0.000	0.000
230	A	578	LYS	1	0.945	0.954	34.723	-0.076	-0.076	0.000	0.000	0.000	0.000
231	A	579	PRO	0	-0.027	0.001	33.152	0.005	0.005	0.000	0.000	0.000	0.000
232	A	580	ASP	-1	-0.867	-0.941	29.521	0.112	0.112	0.000	0.000	0.000	0.000
233	A	581	ASP	-1	-0.915	-0.957	32.177	0.063	0.063	0.000	0.000	0.000	0.000
234	A	582	LEU	0	0.040	0.028	34.341	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	583	CYS	0	-0.046	-0.010	37.574	-0.003	-0.003	0.000	0.000	0.000	0.000
236	A	584	THR	0	0.026	0.020	39.314	0.000	0.000	0.000	0.000	0.000	0.000
237	A	585	LEU	0	-0.066	-0.033	39.211	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	586	VAL	0	0.045	0.008	43.452	0.000	0.000	0.000	0.000	0.000	0.000
239	A	587	ARG	1	0.825	0.915	47.066	-0.019	-0.019	0.000	0.000	0.000	0.000
240	A	588	PRO	0	-0.012	-0.006	49.600	0.001	0.001	0.000	0.000	0.000	0.000
241	A	589	PRO	0	-0.022	-0.006	53.391	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	590	GLN	0	-0.022	0.005	54.636	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	591	SER	0	0.015	0.006	57.889	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	592	THR	0	0.017	0.003	55.320	0.000	0.000	0.000	0.000	0.000	0.000
245	A	593	SER	0	-0.006	-0.008	55.058	0.000	0.000	0.000	0.000	0.000	0.000
246	A	594	PHE	0	-0.013	-0.003	50.318	0.000	0.000	0.000	0.000	0.000	0.000
247	A	595	PRO	0	0.015	0.013	55.963	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	596	LEU	0	0.044	0.018	56.975	0.001	0.001	0.000	0.000	0.000	0.000
249	A	597	GLY	0	0.020	0.006	56.962	0.000	0.000	0.000	0.000	0.000	0.000
250	A	598	LEU	0	0.014	0.005	51.698	0.001	0.001	0.000	0.000	0.000	0.000
251	A	599	ALA	0	0.028	0.007	50.426	0.001	0.001	0.000	0.000	0.000	0.000
252	A	600	ALA	0	-0.015	-0.007	50.746	0.002	0.002	0.000	0.000	0.000	0.000
253	A	601	LEU	0	0.006	0.005	52.868	0.001	0.001	0.000	0.000	0.000	0.000
254	A	602	ALA	0	0.025	0.008	48.380	0.001	0.001	0.000	0.000	0.000	0.000
255	A	603	LYS	1	0.974	0.990	47.590	-0.037	-0.037	0.000	0.000	0.000	0.000
256	A	604	GLN	0	-0.048	-0.016	48.738	0.001	0.001	0.000	0.000	0.000	0.000
257	A	605	LYS	1	0.913	0.951	51.059	-0.031	-0.031	0.000	0.000	0.000	0.000
258	A	606	LEU	0	-0.052	-0.017	46.754	0.001	0.001	0.000	0.000	0.000	0.000
259	A	607	PRO	0	0.012	0.025	42.870	0.001	0.001	0.000	0.000	0.000	0.000
260	A	608	GLY	0	0.036	0.016	40.650	0.000	0.000	0.000	0.000	0.000	0.000
261	A	609	ARG	1	0.847	0.914	35.703	-0.058	-0.058	0.000	0.000	0.000	0.000
262	A	610	VAL	0	0.048	0.016	41.937	0.000	0.000	0.000	0.000	0.000	0.000
263	A	611	ARG	1	0.884	0.942	38.325	-0.037	-0.037	0.000	0.000	0.000	0.000
264	A	612	LEU	0	0.010	0.008	44.558	0.000	0.000	0.000	0.000	0.000	0.000
265	A	613	PHE	0	-0.009	-0.011	41.983	0.000	0.000	0.000	0.000	0.000	0.000
266	A	614	ASN	0	0.068	0.016	47.985	0.000	0.000	0.000	0.000	0.000	0.000
267	A	615	ASN	0	0.012	-0.001	48.757	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	616	GLU	-1	-0.676	-0.843	46.628	0.019	0.019	0.000	0.000	0.000	0.000
269	A	617	LYS	1	0.924	0.972	44.504	-0.008	-0.008	0.000	0.000	0.000	0.000
270	A	618	ALA	0	0.003	-0.013	44.074	0.001	0.001	0.000	0.000	0.000	0.000
271	A	619	MET	0	-0.025	0.017	43.050	0.002	0.002	0.000	0.000	0.000	0.000
272	A	620	LEU	0	0.031	0.000	41.251	0.002	0.002	0.000	0.000	0.000	0.000
273	A	621	SER	0	-0.003	-0.001	39.548	0.000	0.000	0.000	0.000	0.000	0.000
274	A	622	CYS	0	-0.058	-0.018	38.211	0.002	0.002	0.000	0.000	0.000	0.000
275	A	623	PHE	0	0.030	0.011	36.339	0.003	0.003	0.000	0.000	0.000	0.000
276	A	624	CYS	0	-0.007	0.007	35.042	0.004	0.004	0.000	0.000	0.000	0.000
277	A	625	ALA	0	-0.011	0.004	33.370	0.002	0.002	0.000	0.000	0.000	0.000
278	A	626	MET	0	-0.040	-0.037	32.449	0.002	0.002	0.000	0.000	0.000	0.000
279	A	627	LEU	0	0.045	0.027	31.060	0.006	0.006	0.000	0.000	0.000	0.000
280	A	628	LYS	1	0.911	0.967	27.242	-0.022	-0.022	0.000	0.000	0.000	0.000
281	A	629	VAL	0	-0.039	-0.014	27.389	0.004	0.004	0.000	0.000	0.000	0.000
282	A	630	GLU	-1	-0.821	-0.884	27.070	0.096	0.096	0.000	0.000	0.000	0.000
283	A	631	ASP	-1	-0.789	-0.867	22.723	0.101	0.101	0.000	0.000	0.000	0.000
284	A	632	PRO	0	-0.033	-0.016	24.578	0.012	0.012	0.000	0.000	0.000	0.000
285	A	633	ASP	-1	-0.730	-0.859	22.021	0.143	0.143	0.000	0.000	0.000	0.000
286	A	634	VAL	0	-0.009	-0.005	24.899	-0.006	-0.006	0.000	0.000	0.000	0.000
287	A	635	ILE	0	-0.006	0.000	28.187	0.000	0.000	0.000	0.000	0.000	0.000
288	A	636	ILE	0	-0.001	0.001	31.366	-0.002	-0.002	0.000	0.000	0.000	0.000
289	A	637	GLY	0	0.034	-0.001	34.204	-0.002	-0.002	0.000	0.000	0.000	0.000
290	A	638	HIS	0	-0.026	-0.014	37.926	0.001	0.001	0.000	0.000	0.000	0.000
291	A	639	ARG	1	0.876	0.933	41.121	-0.032	-0.032	0.000	0.000	0.000	0.000
292	A	640	LEU	0	0.000	0.008	36.375	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	641	GLN	0	-0.024	-0.028	37.815	0.000	0.000	0.000	0.000	0.000	0.000
294	A	642	ASN	0	0.023	0.009	39.378	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	643	VAL	0	0.009	0.011	42.847	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	644	TYR	0	-0.014	-0.013	42.005	-0.002	-0.002	0.000	0.000	0.000	0.000
297	A	645	LEU	0	0.018	0.009	36.117	0.000	0.000	0.000	0.000	0.000	0.000
298	A	646	ASP	-1	-0.844	-0.921	40.205	0.019	0.019	0.000	0.000	0.000	0.000
299	A	647	VAL	0	-0.054	-0.032	42.916	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	648	LEU	0	-0.021	-0.018	37.934	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	649	ALA	0	0.004	0.006	39.833	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	650	HIS	0	0.050	0.006	41.149	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	651	ARG	1	0.814	0.927	44.631	-0.016	-0.016	0.000	0.000	0.000	0.000
304	A	652	MET	0	-0.022	-0.012	37.549	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	653	HIS	0	-0.002	0.018	42.615	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	654	ASP	-1	-0.868	-0.948	43.998	0.008	0.008	0.000	0.000	0.000	0.000
307	A	655	LEU	0	-0.080	-0.036	45.561	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	656	ASN	0	-0.006	-0.001	43.941	0.000	0.000	0.000	0.000	0.000	0.000
309	A	657	ILE	0	-0.052	-0.025	39.201	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	658	PRO	0	0.024	0.012	38.710	0.000	0.000	0.000	0.000	0.000	0.000
311	A	659	THR	0	-0.019	-0.021	34.816	-0.002	-0.002	0.000	0.000	0.000	0.000
312	A	660	PHE	0	0.037	-0.004	35.111	0.004	0.004	0.000	0.000	0.000	0.000
313	A	661	SER	0	0.029	0.030	32.158	0.003	0.003	0.000	0.000	0.000	0.000
314	A	662	SER	0	-0.026	0.001	30.482	0.003	0.003	0.000	0.000	0.000	0.000
315	A	663	ILE	0	0.032	0.009	30.862	0.006	0.006	0.000	0.000	0.000	0.000
316	A	664	GLY	0	0.033	0.032	29.508	0.004	0.004	0.000	0.000	0.000	0.000
317	A	665	ARG	1	0.744	0.855	22.450	-0.097	-0.097	0.000	0.000	0.000	0.000
318	A	666	ARG	1	1.003	1.012	25.662	0.001	0.001	0.000	0.000	0.000	0.000
319	A	667	LEU	0	-0.064	-0.017	27.663	0.003	0.003	0.000	0.000	0.000	0.000
320	A	668	ARG	1	0.855	0.924	29.867	-0.012	-0.012	0.000	0.000	0.000	0.000
321	A	669	ARG	1	0.947	0.972	33.355	0.012	0.012	0.000	0.000	0.000	0.000
322	A	670	THR	0	0.032	0.017	36.307	0.001	0.001	0.000	0.000	0.000	0.000
323	A	671	TRP	0	0.016	0.007	37.545	0.000	0.000	0.000	0.000	0.000	0.000
324	A	672	PRO	0	-0.001	-0.008	37.816	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	673	GLU	-1	-0.883	-0.940	40.176	-0.012	-0.012	0.000	0.000	0.000	0.000
326	A	674	LYS	1	0.936	0.959	43.136	0.010	0.010	0.000	0.000	0.000	0.000
327	A	675	PHE	0	-0.033	-0.003	41.573	0.001	0.001	0.000	0.000	0.000	0.000
328	A	676	GLY	0	0.019	0.010	44.019	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	677	ARG	1	0.871	0.975	47.109	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	678	GLY	0	0.025	-0.004	47.873	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	679	ASN	0	0.019	-0.004	46.313	0.001	0.001	0.000	0.000	0.000	0.000
332	A	680	SER	0	0.017	0.004	46.312	0.001	0.001	0.000	0.000	0.000	0.000
333	A	681	ASN	0	0.078	0.019	45.013	0.002	0.002	0.000	0.000	0.000	0.000
334	A	682	MET	0	0.001	0.001	41.447	0.001	0.001	0.000	0.000	0.000	0.000
335	A	683	ASN	0	0.016	0.004	41.426	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	684	HIS	0	0.020	0.027	38.536	0.002	0.002	0.000	0.000	0.000	0.000
337	A	685	PHE	0	0.019	0.012	34.396	0.002	0.002	0.000	0.000	0.000	0.000
338	A	686	PHE	0	0.022	0.000	36.398	0.001	0.001	0.000	0.000	0.000	0.000
339	A	687	ILE	0	0.024	0.019	36.439	0.001	0.001	0.000	0.000	0.000	0.000
340	A	688	SER	0	0.003	0.005	33.994	0.004	0.004	0.000	0.000	0.000	0.000
341	A	689	ASP	-1	-0.818	-0.917	31.907	0.010	0.010	0.000	0.000	0.000	0.000
342	A	690	ILE	0	-0.145	-0.075	31.665	0.000	0.000	0.000	0.000	0.000	0.000
343	A	691	CYS	0	-0.049	-0.029	31.876	0.002	0.002	0.000	0.000	0.000	0.000
344	A	692	SER	0	0.024	0.024	27.911	0.007	0.007	0.000	0.000	0.000	0.000
345	A	693	GLY	0	-0.055	-0.045	24.836	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	694	ARG	1	0.779	0.897	24.943	-0.049	-0.049	0.000	0.000	0.000	0.000
347	A	695	LEU	0	0.003	0.014	24.723	-0.007	-0.007	0.000	0.000	0.000	0.000
348	A	696	ILE	0	0.013	0.001	28.672	0.001	0.001	0.000	0.000	0.000	0.000
349	A	697	CYS	0	-0.028	-0.008	31.268	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	698	ASP	-1	-0.751	-0.888	33.112	0.039	0.039	0.000	0.000	0.000	0.000
351	A	699	ILE	0	0.004	-0.001	36.827	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	700	ALA	0	0.000	0.001	38.499	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	701	ASN	0	-0.044	-0.011	36.227	-0.002	-0.002	0.000	0.000	0.000	0.000
354	A	702	GLU	-1	-0.853	-0.941	39.898	0.027	0.027	0.000	0.000	0.000	0.000
355	A	703	MET	0	0.021	0.018	33.717	0.000	0.000	0.000	0.000	0.000	0.000
356	A	704	GLY	0	0.042	0.036	37.609	0.002	0.002	0.000	0.000	0.000	0.000
357	A	705	GLN	0	-0.043	-0.030	38.621	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	706	SER	0	-0.127	-0.074	38.493	0.000	0.000	0.000	0.000	0.000	0.000
359	A	707	LEU	0	-0.008	-0.002	34.801	0.000	0.000	0.000	0.000	0.000	0.000
360	A	708	THR	0	-0.029	-0.023	39.383	0.000	0.000	0.000	0.000	0.000	0.000
361	A	709	PRO	0	0.056	0.024	42.589	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	710	LYS	1	0.955	0.980	45.501	-0.039	-0.039	0.000	0.000	0.000	0.000
363	A	711	CYS	0	-0.062	-0.010	45.523	0.000	0.000	0.000	0.000	0.000	0.000
364	A	712	GLN	0	-0.033	-0.024	48.217	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	713	SER	0	-0.056	-0.016	50.619	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	714	TRP	0	0.008	-0.012	44.143	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	715	ASP	-1	-0.896	-0.941	46.320	0.028	0.028	0.000	0.000	0.000	0.000
368	A	716	LEU	0	-0.012	0.002	42.897	0.001	0.001	0.000	0.000	0.000	0.000
369	A	717	SER	0	0.016	-0.001	46.155	0.002	0.002	0.000	0.000	0.000	0.000
370	A	718	GLU	-1	-0.741	-0.870	48.672	0.031	0.031	0.000	0.000	0.000	0.000
371	A	719	MET	0	0.017	0.002	41.288	0.001	0.001	0.000	0.000	0.000	0.000
372	A	720	TYR	0	0.014	0.008	43.025	0.002	0.002	0.000	0.000	0.000	0.000
373	A	721	GLN	0	0.029	0.018	45.291	0.001	0.001	0.000	0.000	0.000	0.000
374	A	722	VAL	0	-0.047	-0.035	45.202	0.001	0.001	0.000	0.000	0.000	0.000
375	A	723	THR	0	-0.047	-0.034	41.278	0.002	0.002	0.000	0.000	0.000	0.000
376	A	724	CYS	0	-0.067	-0.032	41.722	0.004	0.004	0.000	0.000	0.000	0.000
377	A	725	GLU	-1	-0.947	-0.950	43.770	0.046	0.046	0.000	0.000	0.000	0.000
378	A	726	LYS	1	0.901	0.950	45.274	-0.050	-0.050	0.000	0.000	0.000	0.000
379	A	727	GLU	-1	-0.921	-0.953	48.175	0.031	0.031	0.000	0.000	0.000	0.000
380	A	728	HIS	0	-0.029	-0.021	48.647	0.002	0.002	0.000	0.000	0.000	0.000
381	A	729	LYS	1	0.910	0.945	50.705	-0.030	-0.030	0.000	0.000	0.000	0.000
382	A	730	PRO	0	-0.006	0.015	51.471	0.000	0.000	0.000	0.000	0.000	0.000
383	A	731	LEU	0	-0.008	-0.005	52.684	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	732	ASP	-1	-0.895	-0.940	53.451	0.022	0.022	0.000	0.000	0.000	0.000
385	A	733	ILE	0	-0.034	-0.006	52.147	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	734	ASP	-1	-0.811	-0.920	54.623	0.017	0.017	0.000	0.000	0.000	0.000
387	A	735	TYR	0	-0.026	-0.045	50.481	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	736	GLN	0	-0.013	-0.007	56.152	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	737	ASN	0	-0.030	-0.008	59.110	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	738	PRO	0	0.056	0.005	60.344	0.000	0.000	0.000	0.000	0.000	0.000
391	A	739	GLN	0	-0.004	0.006	60.403	0.001	0.001	0.000	0.000	0.000	0.000
392	A	740	TYR	0	0.015	0.006	56.013	0.000	0.000	0.000	0.000	0.000	0.000
393	A	741	GLN	0	-0.033	-0.012	57.352	0.000	0.000	0.000	0.000	0.000	0.000
394	A	742	ASN	0	-0.021	-0.030	59.533	0.000	0.000	0.000	0.000	0.000	0.000
395	A	743	ASP	-1	-0.871	-0.926	60.586	0.021	0.021	0.000	0.000	0.000	0.000
396	A	744	VAL	0	0.031	0.010	56.155	0.001	0.001	0.000	0.000	0.000	0.000
397	A	745	ASN	0	0.026	0.012	56.228	0.002	0.002	0.000	0.000	0.000	0.000
398	A	746	SER	0	0.000	0.010	56.571	0.001	0.001	0.000	0.000	0.000	0.000
399	A	747	MET	0	-0.009	-0.002	52.771	0.001	0.001	0.000	0.000	0.000	0.000
400	A	748	THR	0	-0.025	-0.016	51.727	0.001	0.001	0.000	0.000	0.000	0.000
401	A	749	MET	0	-0.003	-0.008	51.589	0.001	0.001	0.000	0.000	0.000	0.000
402	A	750	ALA	0	0.028	0.023	52.087	0.001	0.001	0.000	0.000	0.000	0.000
403	A	751	LEU	0	0.008	0.002	47.443	0.001	0.001	0.000	0.000	0.000	0.000
404	A	752	GLN	0	0.022	0.010	47.227	0.003	0.003	0.000	0.000	0.000	0.000
405	A	753	GLU	-1	-0.795	-0.901	47.512	0.035	0.035	0.000	0.000	0.000	0.000
406	A	754	ASN	0	-0.056	-0.036	43.617	0.000	0.000	0.000	0.000	0.000	0.000
407	A	755	ILE	0	-0.005	-0.011	42.444	0.002	0.002	0.000	0.000	0.000	0.000
408	A	756	THR	0	-0.011	-0.004	42.711	0.003	0.003	0.000	0.000	0.000	0.000
409	A	757	ASN	0	0.022	0.002	43.588	0.003	0.003	0.000	0.000	0.000	0.000
410	A	758	CYS	0	-0.068	-0.011	38.720	0.003	0.003	0.000	0.000	0.000	0.000
411	A	759	MET	0	0.022	0.010	38.264	0.003	0.003	0.000	0.000	0.000	0.000
412	A	760	ILE	0	0.003	0.022	39.394	0.003	0.003	0.000	0.000	0.000	0.000
413	A	761	SER	0	-0.002	-0.012	38.949	0.001	0.001	0.000	0.000	0.000	0.000
414	A	762	ALA	0	-0.014	0.002	34.995	0.002	0.002	0.000	0.000	0.000	0.000
415	A	763	GLU	-1	-0.747	-0.853	35.828	0.074	0.074	0.000	0.000	0.000	0.000
416	A	764	VAL	0	0.020	0.002	37.425	0.001	0.001	0.000	0.000	0.000	0.000
417	A	765	SER	0	-0.070	-0.056	34.381	0.002	0.002	0.000	0.000	0.000	0.000
418	A	766	TYR	0	-0.008	-0.023	30.909	0.005	0.005	0.000	0.000	0.000	0.000
419	A	767	ARG	1	0.926	0.977	33.891	-0.060	-0.060	0.000	0.000	0.000	0.000
420	A	768	ILE	0	-0.039	-0.023	35.891	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	769	GLN	0	-0.031	-0.015	31.895	0.005	0.005	0.000	0.000	0.000	0.000
422	A	770	LEU	0	0.062	0.033	32.160	0.000	0.000	0.000	0.000	0.000	0.000
423	A	771	LEU	0	0.037	0.034	27.352	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	772	THR	0	0.062	0.025	26.158	0.000	0.000	0.000	0.000	0.000	0.000
425	A	773	LEU	0	0.034	0.025	27.614	0.001	0.001	0.000	0.000	0.000	0.000
426	A	774	THR	0	0.014	-0.020	29.436	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	775	LYS	1	0.899	0.973	20.070	-0.153	-0.153	0.000	0.000	0.000	0.000
428	A	776	GLN	0	-0.006	-0.010	23.559	-0.007	-0.007	0.000	0.000	0.000	0.000
429	A	777	LEU	0	-0.019	-0.013	26.586	-0.005	-0.005	0.000	0.000	0.000	0.000
430	A	778	THR	0	-0.002	0.009	24.744	-0.007	-0.007	0.000	0.000	0.000	0.000
431	A	779	ASN	0	-0.099	-0.057	20.920	0.001	0.001	0.000	0.000	0.000	0.000
432	A	780	LEU	0	-0.060	-0.027	24.108	-0.004	-0.004	0.000	0.000	0.000	0.000
433	A	781	ALA	0	-0.014	-0.002	27.004	-0.006	-0.006	0.000	0.000	0.000	0.000
434	A	782	GLY	0	0.029	0.010	24.640	-0.006	-0.006	0.000	0.000	0.000	0.000
435	A	783	ASN	0	0.044	0.024	25.637	0.000	0.000	0.000	0.000	0.000	0.000
436	A	784	ALA	0	0.010	0.003	25.257	0.009	0.009	0.000	0.000	0.000	0.000
437	A	785	TRP	0	0.029	-0.011	22.407	0.001	0.001	0.000	0.000	0.000	0.000
438	A	786	ALA	0	0.056	0.020	26.697	-0.002	-0.002	0.000	0.000	0.000	0.000
439	A	787	GLN	0	0.003	-0.001	29.270	-0.002	-0.002	0.000	0.000	0.000	0.000
440	A	788	THR	0	-0.059	-0.029	28.931	-0.006	-0.006	0.000	0.000	0.000	0.000
441	A	789	LEU	0	-0.042	-0.019	28.931	-0.002	-0.002	0.000	0.000	0.000	0.000
442	A	790	GLY	0	0.023	0.026	32.515	-0.002	-0.002	0.000	0.000	0.000	0.000
443	A	791	GLY	0	0.010	0.032	34.823	-0.004	-0.004	0.000	0.000	0.000	0.000
444	A	792	THR	0	0.022	0.019	36.324	0.001	0.001	0.000	0.000	0.000	0.000
445	A	793	ARG	1	0.944	0.954	36.434	-0.025	-0.025	0.000	0.000	0.000	0.000
446	A	794	ALA	0	0.008	0.012	36.281	0.001	0.001	0.000	0.000	0.000	0.000
447	A	795	GLY	0	0.073	0.043	34.111	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	796	ARG	1	0.965	0.970	31.309	-0.040	-0.040	0.000	0.000	0.000	0.000
449	A	797	ASN	0	0.025	0.006	32.645	0.001	0.001	0.000	0.000	0.000	0.000
450	A	798	GLU	-1	-0.868	-0.929	34.038	0.006	0.006	0.000	0.000	0.000	0.000
451	A	799	TYR	0	0.036	-0.009	27.871	-0.002	-0.002	0.000	0.000	0.000	0.000
452	A	800	ILE	0	-0.005	0.007	29.722	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	801	LEU	0	-0.007	0.003	30.797	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	802	LEU	0	-0.008	0.014	30.545	-0.003	-0.003	0.000	0.000	0.000	0.000
455	A	803	HIS	0	-0.049	-0.032	24.063	-0.010	-0.010	0.000	0.000	0.000	0.000
456	A	804	GLU	-1	-0.930	-0.959	28.327	0.003	0.003	0.000	0.000	0.000	0.000
457	A	805	PHE	0	0.014	-0.009	30.425	-0.004	-0.004	0.000	0.000	0.000	0.000
458	A	806	SER	0	0.015	0.013	28.322	-0.005	-0.005	0.000	0.000	0.000	0.000
459	A	807	ARG	1	0.888	0.946	22.669	-0.016	-0.016	0.000	0.000	0.000	0.000
460	A	808	ASN	0	-0.098	-0.044	28.110	-0.006	-0.006	0.000	0.000	0.000	0.000
461	A	809	GLY	0	0.025	0.007	30.750	0.000	0.000	0.000	0.000	0.000	0.000
462	A	810	PHE	0	-0.008	-0.009	32.452	0.000	0.000	0.000	0.000	0.000	0.000
463	A	811	ILE	0	0.005	0.009	33.533	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	812	VAL	0	-0.064	-0.026	32.863	0.003	0.003	0.000	0.000	0.000	0.000
465	A	813	PRO	0	0.031	0.020	35.840	-0.002	-0.002	0.000	0.000	0.000	0.000
466	A	814	ASP	-1	-0.782	-0.877	36.945	-0.019	-0.019	0.000	0.000	0.000	0.000
467	A	815	LYS	1	0.928	0.961	34.366	0.000	0.000	0.000	0.000	0.000	0.000
468	A	848	VAL	0	-0.043	-0.039	56.357	0.000	0.000	0.000	0.000	0.000	0.000
469	A	849	PHE	0	-0.050	-0.019	58.524	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	850	GLU	-1	-0.902	-0.964	60.860	0.012	0.012	0.000	0.000	0.000	0.000
471	A	851	PRO	0	-0.078	-0.023	61.359	0.000	0.000	0.000	0.000	0.000	0.000
472	A	852	GLU	-1	-0.883	-0.940	63.006	0.012	0.012	0.000	0.000	0.000	0.000
473	A	853	LYS	1	0.824	0.914	64.953	-0.013	-0.013	0.000	0.000	0.000	0.000
474	A	854	GLY	0	0.049	0.025	66.682	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	855	LEU	0	-0.016	-0.006	66.228	0.001	0.001	0.000	0.000	0.000	0.000
476	A	856	HIS	1	0.848	0.929	64.213	-0.017	-0.017	0.000	0.000	0.000	0.000
477	A	857	LYS	1	0.964	0.961	65.369	-0.014	-0.014	0.000	0.000	0.000	0.000
478	A	858	ASN	0	0.057	0.049	65.202	0.001	0.001	0.000	0.000	0.000	0.000
479	A	859	TYR	0	0.009	0.000	58.792	0.000	0.000	0.000	0.000	0.000	0.000
480	A	860	VAL	0	-0.013	0.009	58.425	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	861	LEU	0	-0.029	-0.007	54.940	0.001	0.001	0.000	0.000	0.000	0.000
482	A	862	VAL	0	-0.013	-0.005	51.948	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	863	MET	0	-0.012	-0.009	51.514	0.002	0.002	0.000	0.000	0.000	0.000
484	A	864	ASP	-1	-0.857	-0.942	45.055	0.027	0.027	0.000	0.000	0.000	0.000
485	A	865	PHE	0	0.019	-0.018	48.214	0.000	0.000	0.000	0.000	0.000	0.000
486	A	866	ASN	0	0.018	0.001	43.467	-0.002	-0.002	0.000	0.000	0.000	0.000
487	A	867	SER	0	-0.098	-0.040	43.107	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	868	LEU	0	0.066	0.028	44.176	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	869	TYR	0	0.044	0.017	45.083	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	870	PRO	0	-0.018	0.001	40.767	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	871	SER	0	-0.030	-0.024	42.378	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	872	ILE	0	0.031	0.024	44.559	-0.001	-0.001	0.000	0.000	0.000	0.000
493	A	873	ILE	0	-0.014	-0.014	41.643	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	874	GLN	0	-0.034	-0.021	39.978	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	875	GLU	-1	-0.868	-0.943	42.890	0.009	0.009	0.000	0.000	0.000	0.000
496	A	876	PHE	0	-0.031	-0.032	46.237	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	877	ASN	0	0.040	0.025	43.155	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	878	ILE	0	0.016	0.023	44.813	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	879	CYM	-1	-0.884	-0.850	40.472	0.000	0.000	0.000	0.000	0.000	0.000
500	A	880	PHE	0	-0.013	-0.034	39.524	0.000	0.000	0.000	0.000	0.000	0.000
501	A	881	THR	0	-0.035	-0.083	39.147	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	882	THR	0	-0.017	-0.010	42.552	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	883	VAL	0	-0.015	-0.002	45.289	0.000	0.000	0.000	0.000	0.000	0.000
504	A	884	ASP	-1	-0.880	-0.927	48.181	-0.009	-0.009	0.000	0.000	0.000	0.000
505	A	885	ARG	1	0.695	0.822	44.385	0.006	0.006	0.000	0.000	0.000	0.000
506	A	886	ASN	0	0.064	0.023	51.550	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	887	LYS	1	0.849	0.934	45.855	0.012	0.012	0.000	0.000	0.000	0.000
508	A	888	GLU	-1	-0.918	-0.939	51.642	-0.011	-0.011	0.000	0.000	0.000	0.000
509	A	889	ASP	-1	-0.886	-0.946	54.822	-0.003	-0.003	0.000	0.000	0.000	0.000
510	A	890	ILE	0	-0.025	-0.025	51.318	0.001	0.001	0.000	0.000	0.000	0.000
511	A	891	ASP	-1	-0.916	-0.965	53.832	0.000	0.000	0.000	0.000	0.000	0.000
512	A	892	GLU	-1	-0.927	-0.943	56.512	-0.003	-0.003	0.000	0.000	0.000	0.000
513	A	893	LEU	0	-0.095	-0.055	54.801	0.000	0.000	0.000	0.000	0.000	0.000
514	A	894	PRO	0	0.022	0.026	51.695	0.000	0.000	0.000	0.000	0.000	0.000
515	A	895	SER	0	-0.022	-0.028	53.928	0.001	0.001	0.000	0.000	0.000	0.000
516	A	896	VAL	0	-0.061	-0.032	50.574	0.000	0.000	0.000	0.000	0.000	0.000
517	A	897	PRO	0	0.011	0.020	47.129	0.000	0.000	0.000	0.000	0.000	0.000
518	A	898	PRO	0	0.021	0.014	50.312	0.001	0.001	0.000	0.000	0.000	0.000
519	A	899	SER	0	-0.032	-0.032	49.468	0.000	0.000	0.000	0.000	0.000	0.000
520	A	900	GLU	-1	-0.923	-0.962	48.425	-0.003	-0.003	0.000	0.000	0.000	0.000
521	A	901	VAL	0	-0.049	-0.013	45.210	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	902	ASP	-1	-0.886	-0.934	41.421	-0.008	-0.008	0.000	0.000	0.000	0.000
523	A	903	GLN	0	-0.048	-0.035	38.311	0.000	0.000	0.000	0.000	0.000	0.000
524	A	904	GLY	0	0.055	0.022	39.666	-0.002	-0.002	0.000	0.000	0.000	0.000
525	A	905	VAL	0	-0.021	-0.029	34.330	0.001	0.001	0.000	0.000	0.000	0.000
526	A	906	LEU	0	0.037	0.001	35.967	0.003	0.003	0.000	0.000	0.000	0.000
527	A	907	PRO	0	0.008	0.004	37.600	0.003	0.003	0.000	0.000	0.000	0.000
528	A	908	ARG	1	0.988	1.011	33.217	0.006	0.006	0.000	0.000	0.000	0.000
529	A	909	LEU	0	-0.023	0.001	31.213	0.003	0.003	0.000	0.000	0.000	0.000
530	A	910	LEU	0	-0.029	-0.031	33.950	0.005	0.005	0.000	0.000	0.000	0.000
531	A	911	ALA	0	0.025	0.022	36.329	0.003	0.003	0.000	0.000	0.000	0.000
532	A	912	ASN	0	0.066	0.038	28.819	0.005	0.005	0.000	0.000	0.000	0.000
533	A	913	LEU	0	-0.068	-0.033	30.899	0.006	0.006	0.000	0.000	0.000	0.000
534	A	914	VAL	0	-0.020	-0.016	33.167	0.005	0.005	0.000	0.000	0.000	0.000
535	A	915	ASP	-1	-0.887	-0.937	33.637	0.024	0.024	0.000	0.000	0.000	0.000
536	A	916	ARG	1	0.958	0.971	25.473	-0.040	-0.040	0.000	0.000	0.000	0.000
537	A	917	ARG	1	0.881	0.937	31.447	-0.034	-0.034	0.000	0.000	0.000	0.000
538	A	918	ARG	1	0.923	0.956	33.592	-0.023	-0.023	0.000	0.000	0.000	0.000
539	A	919	GLU	-1	-0.938	-0.969	29.469	0.042	0.042	0.000	0.000	0.000	0.000
540	A	920	VAL	0	-0.002	0.003	29.202	0.004	0.004	0.000	0.000	0.000	0.000
541	A	921	LYS	1	0.962	0.965	31.604	-0.044	-0.044	0.000	0.000	0.000	0.000
542	A	922	LYS	1	0.864	0.939	34.075	-0.036	-0.036	0.000	0.000	0.000	0.000
543	A	923	VAL	0	0.053	0.030	28.951	0.000	0.000	0.000	0.000	0.000	0.000
544	A	924	MET	0	-0.026	-0.009	32.306	0.002	0.002	0.000	0.000	0.000	0.000
545	A	925	LYS	1	0.854	0.927	33.991	-0.043	-0.043	0.000	0.000	0.000	0.000
546	A	926	THR	0	0.007	0.016	33.718	-0.002	-0.002	0.000	0.000	0.000	0.000
547	A	927	GLU	-1	-0.925	-0.961	29.303	0.098	0.098	0.000	0.000	0.000	0.000
548	A	928	THR	0	-0.013	-0.010	32.414	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	929	ASP	-1	-0.810	-0.914	27.966	0.119	0.119	0.000	0.000	0.000	0.000
550	A	930	PRO	0	0.030	0.002	31.273	-0.002	-0.002	0.000	0.000	0.000	0.000
551	A	931	HIS	0	-0.009	0.001	26.594	0.002	0.002	0.000	0.000	0.000	0.000
552	A	932	LYS	1	1.014	1.010	23.909	-0.131	-0.131	0.000	0.000	0.000	0.000
553	A	933	ARG	1	0.940	0.986	27.959	-0.070	-0.070	0.000	0.000	0.000	0.000
554	A	934	VAL	0	0.018	0.005	30.494	-0.005	-0.005	0.000	0.000	0.000	0.000
555	A	935	GLN	0	0.017	0.012	22.609	-0.003	-0.003	0.000	0.000	0.000	0.000
556	A	936	CYS	0	-0.064	-0.042	28.395	-0.005	-0.005	0.000	0.000	0.000	0.000
557	A	937	ASP	-1	-0.857	-0.933	29.947	0.056	0.056	0.000	0.000	0.000	0.000
558	A	938	ILE	0	0.022	0.021	28.752	-0.004	-0.004	0.000	0.000	0.000	0.000
559	A	939	ARG	1	0.899	0.955	25.338	-0.079	-0.079	0.000	0.000	0.000	0.000
560	A	940	GLN	0	0.033	0.004	29.337	-0.010	-0.010	0.000	0.000	0.000	0.000
561	A	941	GLN	0	-0.055	-0.025	32.758	-0.008	-0.008	0.000	0.000	0.000	0.000
562	A	942	ALA	0	0.040	0.020	29.994	-0.004	-0.004	0.000	0.000	0.000	0.000
563	A	943	LEU	0	-0.007	-0.001	29.205	-0.004	-0.004	0.000	0.000	0.000	0.000
564	A	944	LYS	1	0.933	0.978	32.508	-0.041	-0.041	0.000	0.000	0.000	0.000
565	A	945	LEU	0	-0.018	-0.015	34.600	-0.004	-0.004	0.000	0.000	0.000	0.000
566	A	946	THR	0	-0.025	-0.021	31.662	-0.002	-0.002	0.000	0.000	0.000	0.000
567	A	947	ALA	0	0.039	0.019	34.410	-0.003	-0.003	0.000	0.000	0.000	0.000
568	A	948	ASN	0	0.013	-0.007	36.870	-0.004	-0.004	0.000	0.000	0.000	0.000
569	A	949	SER	0	-0.101	-0.059	36.894	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	950	MET	0	0.032	0.017	35.507	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	951	TYR	0	0.030	0.027	38.722	-0.002	-0.002	0.000	0.000	0.000	0.000
572	A	952	GLY	0	-0.009	-0.011	41.341	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	953	CYS	0	-0.052	-0.014	37.071	0.000	0.000	0.000	0.000	0.000	0.000
574	A	954	LEU	0	0.083	0.063	40.151	-0.002	-0.002	0.000	0.000	0.000	0.000
575	A	955	GLY	0	0.008	0.018	43.436	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	956	TYR	0	-0.063	-0.038	42.251	0.000	0.000	0.000	0.000	0.000	0.000
577	A	957	VAL	0	0.060	0.019	45.035	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	958	ASN	0	-0.054	-0.018	44.586	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	959	SER	0	-0.075	-0.055	40.850	0.001	0.001	0.000	0.000	0.000	0.000
580	A	960	ARG	1	0.776	0.869	33.668	0.004	0.004	0.000	0.000	0.000	0.000
581	A	961	PHE	0	-0.027	-0.020	34.952	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	962	TYR	0	-0.044	-0.009	40.766	0.000	0.000	0.000	0.000	0.000	0.000
583	A	963	ALA	0	0.083	0.035	44.321	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	964	LYS	1	0.863	0.942	46.654	0.000	0.000	0.000	0.000	0.000	0.000
585	A	965	PRO	0	0.104	0.045	49.346	0.001	0.001	0.000	0.000	0.000	0.000
586	A	966	LEU	0	0.025	0.012	44.533	0.001	0.001	0.000	0.000	0.000	0.000
587	A	967	ALA	0	-0.004	0.004	47.935	0.001	0.001	0.000	0.000	0.000	0.000
588	A	968	MET	0	0.005	0.005	48.866	0.001	0.001	0.000	0.000	0.000	0.000
589	A	969	LEU	0	0.010	0.022	49.456	0.001	0.001	0.000	0.000	0.000	0.000
590	A	970	VAL	0	-0.012	-0.020	46.326	0.001	0.001	0.000	0.000	0.000	0.000
591	A	971	THR	0	-0.063	-0.042	49.678	0.001	0.001	0.000	0.000	0.000	0.000
592	A	972	ASN	0	-0.027	-0.029	52.080	0.001	0.001	0.000	0.000	0.000	0.000
593	A	973	LYS	1	0.984	1.001	51.730	-0.005	-0.005	0.000	0.000	0.000	0.000
594	A	974	GLY	0	0.032	0.015	52.190	0.001	0.001	0.000	0.000	0.000	0.000
595	A	975	ARG	1	0.926	0.970	52.746	-0.007	-0.007	0.000	0.000	0.000	0.000
596	A	976	GLU	-1	-0.918	-0.947	56.271	0.007	0.007	0.000	0.000	0.000	0.000
597	A	977	ILE	0	0.022	0.015	51.295	0.000	0.000	0.000	0.000	0.000	0.000
598	A	978	LEU	0	-0.002	0.019	53.207	0.001	0.001	0.000	0.000	0.000	0.000
599	A	979	MET	0	-0.020	-0.020	56.380	0.000	0.000	0.000	0.000	0.000	0.000
600	A	980	ASN	0	-0.005	-0.012	57.709	0.000	0.000	0.000	0.000	0.000	0.000
601	A	981	THR	0	-0.039	-0.038	55.465	0.001	0.001	0.000	0.000	0.000	0.000
602	A	982	ARG	1	0.946	0.982	57.855	-0.011	-0.011	0.000	0.000	0.000	0.000
603	A	983	GLN	0	0.043	0.022	61.022	0.000	0.000	0.000	0.000	0.000	0.000
604	A	984	LEU	0	-0.026	-0.005	57.193	0.000	0.000	0.000	0.000	0.000	0.000
605	A	985	ALA	0	0.017	0.024	59.953	0.000	0.000	0.000	0.000	0.000	0.000
606	A	986	GLU	-1	-0.903	-0.946	61.353	0.011	0.011	0.000	0.000	0.000	0.000
607	A	987	SER	0	-0.109	-0.056	62.715	0.000	0.000	0.000	0.000	0.000	0.000
608	A	988	MET	0	-0.073	-0.034	59.421	0.000	0.000	0.000	0.000	0.000	0.000
609	A	989	ASN	0	-0.069	-0.035	64.096	0.000	0.000	0.000	0.000	0.000	0.000
610	A	990	LEU	0	-0.023	-0.005	60.261	0.001	0.001	0.000	0.000	0.000	0.000
611	A	991	LEU	0	0.025	0.013	64.024	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	992	VAL	0	-0.013	-0.008	59.897	0.001	0.001	0.000	0.000	0.000	0.000
613	A	993	VAL	0	-0.019	0.001	60.989	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	994	TYR	0	0.029	-0.030	55.382	0.000	0.000	0.000	0.000	0.000	0.000
615	A	995	GLY	0	0.011	0.018	56.378	0.001	0.001	0.000	0.000	0.000	0.000
616	A	996	ASP	-1	-0.753	-0.863	52.703	0.017	0.017	0.000	0.000	0.000	0.000
617	A	997	THR	0	0.045	0.007	50.177	0.000	0.000	0.000	0.000	0.000	0.000
618	A	998	ASP	-1	-0.982	-0.973	47.711	0.021	0.021	0.000	0.000	0.000	0.000
619	A	999	SER	0	-0.084	-0.036	49.150	0.002	0.002	0.000	0.000	0.000	0.000
620	A	1000	VAL	0	0.038	0.018	51.803	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	1001	MET	0	-0.069	-0.026	54.995	0.001	0.001	0.000	0.000	0.000	0.000
622	A	1002	ILE	0	0.014	0.004	56.765	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	1003	ASP	-1	-0.843	-0.943	59.598	0.018	0.018	0.000	0.000	0.000	0.000
624	A	1004	THR	0	-0.039	-0.042	59.306	0.000	0.000	0.000	0.000	0.000	0.000
625	A	1005	GLY	0	0.045	0.024	62.274	0.000	0.000	0.000	0.000	0.000	0.000
626	A	1006	CYS	0	-0.058	-0.015	62.875	0.000	0.000	0.000	0.000	0.000	0.000
627	A	1007	ASP	-1	-0.880	-0.942	64.641	0.019	0.019	0.000	0.000	0.000	0.000
628	A	1008	ASN	0	0.057	0.007	61.869	0.001	0.001	0.000	0.000	0.000	0.000
629	A	1009	TYR	0	0.029	0.017	52.211	0.000	0.000	0.000	0.000	0.000	0.000
630	A	1010	ALA	0	-0.032	-0.023	57.730	0.000	0.000	0.000	0.000	0.000	0.000
631	A	1011	ASP	-1	-0.875	-0.947	58.544	0.021	0.021	0.000	0.000	0.000	0.000
632	A	1012	ALA	0	0.040	0.023	58.752	0.000	0.000	0.000	0.000	0.000	0.000
633	A	1013	ILE	0	0.010	0.002	53.141	0.000	0.000	0.000	0.000	0.000	0.000
634	A	1014	LYS	1	0.913	0.954	55.344	-0.023	-0.023	0.000	0.000	0.000	0.000
635	A	1015	ILE	0	0.042	0.039	57.310	0.000	0.000	0.000	0.000	0.000	0.000
636	A	1016	GLY	0	0.045	0.012	55.338	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	1017	LEU	0	-0.064	-0.041	50.690	0.000	0.000	0.000	0.000	0.000	0.000
638	A	1018	GLY	0	-0.005	-0.001	53.815	0.000	0.000	0.000	0.000	0.000	0.000
639	A	1019	PHE	0	0.060	0.018	55.273	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	1020	LYS	1	0.861	0.943	46.357	-0.027	-0.027	0.000	0.000	0.000	0.000
641	A	1021	ARG	1	0.896	0.934	51.950	-0.020	-0.020	0.000	0.000	0.000	0.000
642	A	1022	LEU	0	0.044	0.037	53.153	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	1023	VAL	0	0.018	-0.001	51.637	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	1024	ASN	0	-0.080	-0.039	47.282	-0.001	-0.001	0.000	0.000	0.000	0.000
645	A	1025	GLU	-1	-0.938	-0.976	51.107	0.015	0.015	0.000	0.000	0.000	0.000
646	A	1026	ARG	1	0.850	0.946	53.576	-0.013	-0.013	0.000	0.000	0.000	0.000
647	A	1027	TYR	0	0.026	0.012	50.446	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	1028	ARG	1	0.980	0.998	44.403	-0.010	-0.010	0.000	0.000	0.000	0.000
649	A	1029	LEU	0	-0.057	-0.021	43.171	0.002	0.002	0.000	0.000	0.000	0.000
650	A	1030	LEU	0	-0.043	-0.007	44.851	0.001	0.001	0.000	0.000	0.000	0.000
651	A	1031	GLU	-1	-0.988	-1.000	42.811	0.027	0.027	0.000	0.000	0.000	0.000
652	A	1032	ILE	0	0.011	0.025	45.593	0.001	0.001	0.000	0.000	0.000	0.000
653	A	1033	ASP	-1	-0.928	-0.995	45.447	0.031	0.031	0.000	0.000	0.000	0.000
654	A	1034	ILE	0	-0.009	0.002	48.133	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	1035	ASP	-1	-0.970	-0.973	47.174	0.033	0.033	0.000	0.000	0.000	0.000
656	A	1036	ASN	0	-0.001	-0.011	48.963	0.002	0.002	0.000	0.000	0.000	0.000
657	A	1037	VAL	0	-0.013	0.009	52.027	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	1038	PHE	0	-0.014	-0.018	54.821	0.001	0.001	0.000	0.000	0.000	0.000
659	A	1039	LYS	1	0.935	0.979	58.205	-0.024	-0.024	0.000	0.000	0.000	0.000
660	A	1040	LYS	1	0.906	0.968	60.965	-0.020	-0.020	0.000	0.000	0.000	0.000
661	A	1041	LEU	0	-0.010	-0.005	59.599	0.001	0.001	0.000	0.000	0.000	0.000
662	A	1042	LEU	0	0.023	0.023	62.574	-0.001	-0.001	0.000	0.000	0.000	0.000
663	A	1043	LEU	0	0.006	0.004	60.219	0.001	0.001	0.000	0.000	0.000	0.000
664	A	1044	HIS	0	0.022	0.009	62.464	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	1045	ALA	0	-0.016	-0.040	60.208	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	1046	LYS	1	0.954	0.998	51.074	-0.019	-0.019	0.000	0.000	0.000	0.000
667	A	1047	LYS	1	0.931	0.960	49.809	-0.022	-0.022	0.000	0.000	0.000	0.000
668	A	1048	LYS	1	0.880	0.933	56.183	-0.016	-0.016	0.000	0.000	0.000	0.000
669	A	1049	TYR	0	0.001	-0.007	54.535	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	1050	ALA	0	0.042	0.030	59.659	0.001	0.001	0.000	0.000	0.000	0.000
671	A	1051	ALA	0	0.026	0.009	58.503	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	1052	LEU	0	0.003	0.021	59.391	0.001	0.001	0.000	0.000	0.000	0.000
673	A	1053	THR	0	0.008	0.009	54.020	0.000	0.000	0.000	0.000	0.000	0.000
674	A	1054	VAL	0	0.022	0.008	54.634	0.000	0.000	0.000	0.000	0.000	0.000
675	A	1055	ASN	0	-0.006	0.008	49.339	0.000	0.000	0.000	0.000	0.000	0.000
676	A	1063	THR	0	-0.021	-0.029	53.444	0.000	0.000	0.000	0.000	0.000	0.000
677	A	1064	THR	0	0.000	-0.003	55.000	0.000	0.000	0.000	0.000	0.000	0.000
678	A	1065	VAL	0	0.007	0.004	54.263	0.000	0.000	0.000	0.000	0.000	0.000
679	A	1066	LEU	0	-0.036	0.007	57.127	-0.001	-0.001	0.000	0.000	0.000	0.000
680	A	1067	GLU	-1	-0.913	-0.945	53.211	0.029	0.029	0.000	0.000	0.000	0.000
681	A	1068	VAL	0	0.026	0.009	56.980	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	1069	LYS	1	0.908	0.965	51.349	-0.028	-0.028	0.000	0.000	0.000	0.000
683	A	1070	GLY	0	-0.003	-0.006	56.781	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	1071	LEU	0	-0.030	-0.022	58.423	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	1072	ASP	-1	-0.881	-0.926	58.060	0.022	0.022	0.000	0.000	0.000	0.000
686	A	1073	MET	0	-0.058	-0.034	56.793	0.001	0.001	0.000	0.000	0.000	0.000
687	A	1074	LYS	1	0.931	0.960	59.768	-0.014	-0.014	0.000	0.000	0.000	0.000
688	A	1075	ARG	1	1.051	1.020	56.032	-0.024	-0.024	0.000	0.000	0.000	0.000
689	A	1076	ARG	1	0.906	0.942	56.427	-0.021	-0.021	0.000	0.000	0.000	0.000
690	A	1077	GLU	-1	-0.923	-0.960	63.427	0.015	0.015	0.000	0.000	0.000	0.000
691	A	1078	PHE	0	0.006	0.026	66.238	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	1079	CYS	0	-0.087	-0.009	66.796	0.001	0.001	0.000	0.000	0.000	0.000
693	A	1080	PRO	0	-0.080	-0.062	66.581	0.000	0.000	0.000	0.000	0.000	0.000
694	A	1081	LEU	0	0.098	0.054	67.880	0.000	0.000	0.000	0.000	0.000	0.000
695	A	1082	SER	0	-0.011	-0.029	69.583	0.000	0.000	0.000	0.000	0.000	0.000
696	A	1083	ARG	1	0.885	0.934	63.549	-0.020	-0.020	0.000	0.000	0.000	0.000
697	A	1084	ASP	-1	-0.907	-0.960	66.509	0.021	0.021	0.000	0.000	0.000	0.000
698	A	1085	VAL	0	0.001	0.004	68.151	0.000	0.000	0.000	0.000	0.000	0.000
699	A	1086	SER	0	-0.003	-0.008	67.166	0.000	0.000	0.000	0.000	0.000	0.000
700	A	1087	ILE	0	-0.025	-0.011	62.802	0.000	0.000	0.000	0.000	0.000	0.000
701	A	1088	HIS	0	0.001	0.009	66.004	0.001	0.001	0.000	0.000	0.000	0.000
702	A	1089	VAL	0	0.044	0.020	68.769	0.000	0.000	0.000	0.000	0.000	0.000
703	A	1090	LEU	0	-0.022	-0.006	63.809	0.000	0.000	0.000	0.000	0.000	0.000
704	A	1091	ASN	0	-0.009	-0.009	64.180	0.000	0.000	0.000	0.000	0.000	0.000
705	A	1092	THR	0	-0.003	-0.002	66.556	0.000	0.000	0.000	0.000	0.000	0.000
706	A	1093	ILE	0	0.011	0.014	68.869	0.000	0.000	0.000	0.000	0.000	0.000
707	A	1094	LEU	0	-0.092	-0.056	63.255	0.000	0.000	0.000	0.000	0.000	0.000
708	A	1095	SER	0	0.012	0.004	66.097	0.001	0.001	0.000	0.000	0.000	0.000
709	A	1096	ASP	-1	-0.965	-0.986	66.653	0.020	0.020	0.000	0.000	0.000	0.000
710	A	1097	LYS	1	0.924	0.969	68.745	-0.019	-0.019	0.000	0.000	0.000	0.000
711	A	1098	ASP	-1	-0.805	-0.899	72.430	0.015	0.015	0.000	0.000	0.000	0.000
712	A	1099	PRO	0	-0.069	-0.065	74.088	0.000	0.000	0.000	0.000	0.000	0.000
713	A	1100	GLU	-1	-0.949	-0.958	75.329	0.012	0.012	0.000	0.000	0.000	0.000
714	A	1101	GLU	-1	-0.892	-0.938	77.390	0.016	0.016	0.000	0.000	0.000	0.000
715	A	1102	ALA	0	0.009	-0.001	73.260	0.000	0.000	0.000	0.000	0.000	0.000
716	A	1103	LEU	0	-0.042	-0.025	75.346	0.000	0.000	0.000	0.000	0.000	0.000
717	A	1104	GLN	0	-0.020	-0.013	76.901	-0.001	-0.001	0.000	0.000	0.000	0.000
718	A	1105	GLU	-1	-0.887	-0.941	73.936	0.018	0.018	0.000	0.000	0.000	0.000
719	A	1106	VAL	0	-0.062	-0.029	73.811	0.000	0.000	0.000	0.000	0.000	0.000
720	A	1107	TYR	0	-0.026	-0.018	76.418	0.000	0.000	0.000	0.000	0.000	0.000
721	A	1108	ASP	-1	-0.809	-0.903	79.741	0.014	0.014	0.000	0.000	0.000	0.000
722	A	1109	TYR	0	-0.056	-0.019	72.164	0.000	0.000	0.000	0.000	0.000	0.000
723	A	1110	LEU	0	-0.028	-0.031	75.401	0.000	0.000	0.000	0.000	0.000	0.000
724	A	1111	GLU	-1	-0.954	-0.967	78.550	0.013	0.013	0.000	0.000	0.000	0.000
725	A	1112	ASP	-1	-0.849	-0.920	79.650	0.015	0.015	0.000	0.000	0.000	0.000
726	A	1113	ILE	0	-0.013	-0.025	75.474	0.000	0.000	0.000	0.000	0.000	0.000
727	A	1114	ARG	1	0.867	0.931	79.075	-0.012	-0.012	0.000	0.000	0.000	0.000
728	A	1115	ILE	0	0.058	0.032	81.863	0.000	0.000	0.000	0.000	0.000	0.000
729	A	1116	LYS	1	0.921	0.958	77.582	-0.016	-0.016	0.000	0.000	0.000	0.000
730	A	1117	VAL	0	-0.060	-0.022	78.527	0.000	0.000	0.000	0.000	0.000	0.000
731	A	1118	GLU	-1	-0.974	-0.985	81.163	0.011	0.011	0.000	0.000	0.000	0.000
732	A	1119	THR	0	-0.082	-0.037	84.560	0.000	0.000	0.000	0.000	0.000	0.000
733	A	1120	ASN	0	-0.053	-0.022	80.967	0.000	0.000	0.000	0.000	0.000	0.000
734	A	1121	ASN	0	0.010	0.014	80.593	0.000	0.000	0.000	0.000	0.000	0.000
735	A	1122	ILE	0	-0.043	-0.016	75.229	0.001	0.001	0.000	0.000	0.000	0.000
736	A	1123	ARG	1	0.944	0.959	69.835	-0.020	-0.020	0.000	0.000	0.000	0.000
737	A	1124	ILE	0	0.118	0.039	74.809	0.000	0.000	0.000	0.000	0.000	0.000
738	A	1125	ASP	-1	-0.900	-0.950	69.564	0.019	0.019	0.000	0.000	0.000	0.000
739	A	1126	LYS	1	0.876	0.930	68.968	-0.019	-0.019	0.000	0.000	0.000	0.000
740	A	1127	TYR	0	0.119	0.060	71.453	0.000	0.000	0.000	0.000	0.000	0.000
741	A	1128	LYS	1	0.909	0.991	64.887	-0.021	-0.021	0.000	0.000	0.000	0.000
742	A	1129	ILE	0	0.037	0.015	68.553	0.000	0.000	0.000	0.000	0.000	0.000
743	A	1130	ASN	0	-0.029	-0.009	64.378	0.000	0.000	0.000	0.000	0.000	0.000
744	A	1131	MET	0	0.033	0.011	65.564	0.000	0.000	0.000	0.000	0.000	0.000
745	A	1132	LYS	1	0.854	0.934	57.326	-0.020	-0.020	0.000	0.000	0.000	0.000
746	A	1133	LEU	0	-0.020	0.002	63.835	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	1134	SER	0	0.039	0.010	62.280	0.000	0.000	0.000	0.000	0.000	0.000
748	A	1135	LYS	1	0.990	0.992	62.905	-0.010	-0.010	0.000	0.000	0.000	0.000
749	A	1136	ASP	-1	-0.754	-0.899	65.613	0.011	0.011	0.000	0.000	0.000	0.000
750	A	1137	PRO	0	0.016	0.011	68.176	0.000	0.000	0.000	0.000	0.000	0.000
751	A	1138	LYS	1	0.914	0.946	71.220	-0.009	-0.009	0.000	0.000	0.000	0.000
752	A	1139	ALA	0	-0.002	0.013	69.854	0.000	0.000	0.000	0.000	0.000	0.000
753	A	1140	TYR	0	0.010	0.010	66.356	0.000	0.000	0.000	0.000	0.000	0.000
754	A	1141	PRO	0	0.011	0.006	70.697	0.000	0.000	0.000	0.000	0.000	0.000
755	A	1142	GLY	0	0.052	0.032	73.375	0.000	0.000	0.000	0.000	0.000	0.000
756	A	1143	GLY	0	0.048	0.009	74.446	0.000	0.000	0.000	0.000	0.000	0.000
757	A	1144	LYS	1	0.910	0.949	75.404	-0.008	-0.008	0.000	0.000	0.000	0.000
758	A	1145	ASN	0	0.044	0.025	76.367	0.000	0.000	0.000	0.000	0.000	0.000
759	A	1146	MET	0	-0.031	-0.005	70.162	0.000	0.000	0.000	0.000	0.000	0.000
760	A	1147	PRO	0	0.084	0.027	73.208	0.000	0.000	0.000	0.000	0.000	0.000
761	A	1148	ALA	0	0.020	0.019	69.757	0.000	0.000	0.000	0.000	0.000	0.000
762	A	1149	VAL	0	0.021	0.008	71.221	0.000	0.000	0.000	0.000	0.000	0.000
763	A	1150	GLN	0	-0.015	-0.002	73.052	0.000	0.000	0.000	0.000	0.000	0.000
764	A	1151	VAL	0	0.013	0.012	73.386	0.000	0.000	0.000	0.000	0.000	0.000
765	A	1152	ALA	0	0.011	0.006	71.133	0.000	0.000	0.000	0.000	0.000	0.000
766	A	1153	LEU	0	-0.060	-0.048	72.930	0.000	0.000	0.000	0.000	0.000	0.000
767	A	1154	ARG	1	0.941	0.981	75.751	-0.011	-0.011	0.000	0.000	0.000	0.000
768	A	1155	MET	0	0.003	0.003	71.462	0.000	0.000	0.000	0.000	0.000	0.000
769	A	1156	ARG	1	0.776	0.870	69.669	-0.011	-0.011	0.000	0.000	0.000	0.000
770	A	1157	LYS	1	0.915	0.961	75.547	-0.009	-0.009	0.000	0.000	0.000	0.000
771	A	1158	ALA	0	0.015	0.023	77.728	0.000	0.000	0.000	0.000	0.000	0.000
772	A	1159	GLY	0	0.048	0.022	76.859	0.000	0.000	0.000	0.000	0.000	0.000
773	A	1160	ARG	1	0.930	0.979	72.213	-0.014	-0.014	0.000	0.000	0.000	0.000
774	A	1161	VAL	0	-0.001	0.005	67.835	0.000	0.000	0.000	0.000	0.000	0.000
775	A	1162	VAL	0	0.029	0.010	67.782	0.001	0.001	0.000	0.000	0.000	0.000
776	A	1163	LYS	1	0.950	0.983	64.834	-0.012	-0.012	0.000	0.000	0.000	0.000
777	A	1164	ALA	0	0.015	0.008	63.278	0.000	0.000	0.000	0.000	0.000	0.000
778	A	1165	GLY	0	0.037	0.023	60.887	0.000	0.000	0.000	0.000	0.000	0.000
779	A	1166	SER	0	-0.022	-0.012	61.385	0.001	0.001	0.000	0.000	0.000	0.000
780	A	1167	VAL	0	0.007	-0.007	61.307	-0.001	-0.001	0.000	0.000	0.000	0.000
781	A	1168	ILE	0	-0.044	-0.013	64.420	0.000	0.000	0.000	0.000	0.000	0.000
782	A	1169	THR	0	0.010	-0.009	66.599	0.000	0.000	0.000	0.000	0.000	0.000
783	A	1170	PHE	0	-0.052	-0.030	69.048	0.000	0.000	0.000	0.000	0.000	0.000
784	A	1171	VAL	0	0.037	0.010	72.474	0.000	0.000	0.000	0.000	0.000	0.000
785	A	1172	ILE	0	-0.035	-0.006	75.254	0.000	0.000	0.000	0.000	0.000	0.000
786	A	1173	THR	0	0.000	-0.006	78.059	0.000	0.000	0.000	0.000	0.000	0.000
787	A	1174	LYS	1	1.020	0.998	81.370	-0.011	-0.011	0.000	0.000	0.000	0.000
788	A	1175	GLN	0	0.038	0.020	84.955	0.000	0.000	0.000	0.000	0.000	0.000
789	A	1186	ALA	0	0.008	-0.006	89.308	0.000	0.000	0.000	0.000	0.000	0.000
790	A	1187	LEU	0	0.014	0.024	85.824	0.000	0.000	0.000	0.000	0.000	0.000
791	A	1188	SER	0	0.049	0.031	81.800	0.000	0.000	0.000	0.000	0.000	0.000
792	A	1189	VAL	0	0.028	0.000	77.913	0.000	0.000	0.000	0.000	0.000	0.000
793	A	1190	ALA	0	-0.031	-0.018	77.823	0.000	0.000	0.000	0.000	0.000	0.000
794	A	1191	GLU	-1	-0.927	-0.978	78.834	0.009	0.009	0.000	0.000	0.000	0.000
795	A	1192	ARG	1	0.800	0.901	81.680	-0.010	-0.010	0.000	0.000	0.000	0.000
796	A	1193	ALA	0	-0.013	0.023	76.031	0.000	0.000	0.000	0.000	0.000	0.000
797	A	1194	HIS	0	0.022	0.006	77.215	0.000	0.000	0.000	0.000	0.000	0.000
798	A	1195	ALA	0	0.028	0.015	73.203	0.000	0.000	0.000	0.000	0.000	0.000
799	A	1196	LEU	0	0.036	0.009	69.842	0.000	0.000	0.000	0.000	0.000	0.000
800	A	1197	ASN	0	-0.004	-0.019	71.962	0.000	0.000	0.000	0.000	0.000	0.000
801	A	1198	GLU	-1	-0.906	-0.958	73.867	0.013	0.013	0.000	0.000	0.000	0.000
802	A	1199	VAL	0	0.004	0.006	76.685	0.000	0.000	0.000	0.000	0.000	0.000
803	A	1200	MET	0	-0.062	-0.024	71.616	0.000	0.000	0.000	0.000	0.000	0.000
804	A	1201	ILE	0	-0.026	0.007	77.090	0.000	0.000	0.000	0.000	0.000	0.000
805	A	1202	LYS	1	1.036	1.004	79.616	-0.015	-0.015	0.000	0.000	0.000	0.000
806	A	1203	SER	0	0.005	0.011	82.697	0.000	0.000	0.000	0.000	0.000	0.000
807	A	1204	ASN	0	-0.038	-0.030	80.269	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	1205	ASN	0	-0.067	-0.028	84.114	0.000	0.000	0.000	0.000	0.000	0.000
809	A	1206	LEU	0	-0.014	0.008	80.582	0.000	0.000	0.000	0.000	0.000	0.000
810	A	1207	ILE	0	0.018	0.005	81.927	0.000	0.000	0.000	0.000	0.000	0.000
811	A	1208	PRO	0	0.015	0.000	78.502	0.000	0.000	0.000	0.000	0.000	0.000
812	A	1209	ASP	-1	-0.847	-0.931	80.419	0.011	0.011	0.000	0.000	0.000	0.000
813	A	1210	PRO	0	0.031	0.009	80.755	0.000	0.000	0.000	0.000	0.000	0.000
814	A	1211	GLN	0	0.036	0.034	81.381	0.000	0.000	0.000	0.000	0.000	0.000
815	A	1212	TYR	0	-0.009	-0.010	74.480	0.000	0.000	0.000	0.000	0.000	0.000
816	A	1213	TYR	0	-0.036	-0.074	73.726	0.000	0.000	0.000	0.000	0.000	0.000
817	A	1214	LEU	0	0.052	0.022	76.754	0.000	0.000	0.000	0.000	0.000	0.000
818	A	1215	GLU	-1	-0.867	-0.919	78.679	0.011	0.011	0.000	0.000	0.000	0.000
819	A	1216	LYS	1	0.876	0.918	75.302	-0.011	-0.011	0.000	0.000	0.000	0.000
820	A	1217	GLN	0	-0.010	-0.002	71.062	0.001	0.001	0.000	0.000	0.000	0.000
821	A	1218	ILE	0	0.031	0.050	72.546	0.001	0.001	0.000	0.000	0.000	0.000
822	A	1219	PHE	0	0.045	0.037	74.541	0.000	0.000	0.000	0.000	0.000	0.000
823	A	1220	ALA	0	0.014	0.009	73.642	0.000	0.000	0.000	0.000	0.000	0.000
824	A	1221	PRO	0	-0.047	-0.031	69.517	0.000	0.000	0.000	0.000	0.000	0.000
825	A	1222	VAL	0	0.061	0.020	70.602	0.000	0.000	0.000	0.000	0.000	0.000
826	A	1223	GLU	-1	-0.984	-0.977	72.710	0.012	0.012	0.000	0.000	0.000	0.000
827	A	1224	ARG	1	0.942	0.971	68.688	-0.013	-0.013	0.000	0.000	0.000	0.000
828	A	1225	LEU	0	-0.069	-0.031	66.520	0.000	0.000	0.000	0.000	0.000	0.000
829	A	1226	LEU	0	-0.019	-0.016	69.780	0.000	0.000	0.000	0.000	0.000	0.000
830	A	1227	GLU	-1	-0.943	-0.944	71.693	0.012	0.012	0.000	0.000	0.000	0.000
831	A	1228	ARG	1	0.921	0.961	69.053	-0.013	-0.013	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:349:THR)