FMO DATABASE

FMODB ID: GY671

Calculation Name: 5CSA-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5CSA

Chain ID: A

ChEMBL ID:

UniProt ID: Q00955

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

Apendix: None

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	877
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21001481.907362
FMO2-HF: Nuclear repulsion	20659012.901655
FMO2-HF: Total energy	-342469.005706
FMO2-MP2: Total energy	-343479.0878

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:573:GLU)

Summations of interaction energy for fragment #1(A:573:GLU)

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.
24.955	28.024	0.494	-1.519	-2.042	-0.005

Interaction energy analysis for fragmet #1(A:573:GLU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.975 / q_NPA : -0.996

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	575	PRO	0	0.025	0.024	2.743	2.976	5.638	0.495	-1.448	-1.708	-0.005
4	A	576	ASP	-1	-0.857	-0.944	5.251	27.987	28.110	-0.001	-0.002	-0.119	0.000
5	A	577	PRO	0	0.044	0.010	7.233	-3.132	-3.132	0.000	0.000	0.000	0.000
6	A	578	THR	0	0.008	0.007	9.799	-2.007	-2.007	0.000	0.000	0.000	0.000
7	A	579	LEU	0	0.004	0.000	9.923	-1.728	-1.728	0.000	0.000	0.000	0.000
8	A	580	ALA	0	0.024	0.011	9.435	-1.668	-1.668	0.000	0.000	0.000	0.000
9	A	581	VAL	0	-0.009	0.000	11.529	-1.623	-1.623	0.000	0.000	0.000	0.000
10	A	582	ILE	0	-0.015	-0.008	14.394	-1.427	-1.427	0.000	0.000	0.000	0.000
11	A	583	CYS	0	-0.044	-0.022	14.142	-0.977	-0.977	0.000	0.000	0.000	0.000
12	A	584	GLY	0	0.049	0.019	15.415	-0.868	-0.868	0.000	0.000	0.000	0.000
13	A	585	ALA	0	0.005	0.007	17.008	-0.843	-0.843	0.000	0.000	0.000	0.000
14	A	586	ALA	0	0.017	0.006	19.649	-0.730	-0.730	0.000	0.000	0.000	0.000
15	A	587	THR	0	-0.012	-0.023	18.399	-0.555	-0.555	0.000	0.000	0.000	0.000
16	A	588	LYS	1	0.942	0.973	19.837	-14.248	-14.248	0.000	0.000	0.000	0.000
17	A	589	ALA	0	0.001	0.008	22.710	-0.533	-0.533	0.000	0.000	0.000	0.000
18	A	590	PHE	0	-0.051	-0.021	23.689	-0.396	-0.396	0.000	0.000	0.000	0.000
19	A	591	LEU	0	0.022	0.000	21.702	-0.474	-0.474	0.000	0.000	0.000	0.000
20	A	592	ALA	0	0.024	0.032	25.715	-0.419	-0.419	0.000	0.000	0.000	0.000
21	A	593	SER	0	-0.057	-0.033	28.688	-0.442	-0.442	0.000	0.000	0.000	0.000
22	A	594	GLU	-1	-0.891	-0.956	27.353	9.646	9.646	0.000	0.000	0.000	0.000
23	A	595	GLU	-1	-0.953	-0.970	29.687	9.327	9.327	0.000	0.000	0.000	0.000
24	A	596	ALA	0	-0.047	-0.024	31.371	-0.335	-0.335	0.000	0.000	0.000	0.000
25	A	597	ARG	1	0.852	0.904	31.162	-9.453	-9.453	0.000	0.000	0.000	0.000
26	A	598	HIS	0	0.053	0.019	30.340	-0.484	-0.484	0.000	0.000	0.000	0.000
27	A	599	LYS	1	0.969	1.005	35.203	-8.124	-8.124	0.000	0.000	0.000	0.000
28	A	600	TYR	0	-0.045	-0.037	37.332	-0.278	-0.278	0.000	0.000	0.000	0.000
29	A	601	ILE	0	0.012	0.000	36.964	-0.267	-0.267	0.000	0.000	0.000	0.000
30	A	602	GLU	-1	-0.915	-0.951	37.580	7.631	7.631	0.000	0.000	0.000	0.000
31	A	603	SER	0	-0.097	-0.067	40.394	-0.197	-0.197	0.000	0.000	0.000	0.000
32	A	604	LEU	0	0.007	0.012	42.867	-0.189	-0.189	0.000	0.000	0.000	0.000
33	A	605	GLN	0	-0.034	-0.037	40.221	-0.118	-0.118	0.000	0.000	0.000	0.000
34	A	606	LYS	1	0.905	0.963	41.660	-7.232	-7.232	0.000	0.000	0.000	0.000
35	A	607	GLY	0	-0.009	0.008	46.695	-0.136	-0.136	0.000	0.000	0.000	0.000
36	A	608	GLN	0	-0.029	-0.004	46.685	-0.155	-0.155	0.000	0.000	0.000	0.000
37	A	609	VAL	0	0.021	0.014	46.042	0.181	0.181	0.000	0.000	0.000	0.000
38	A	610	LEU	0	0.003	0.016	41.909	-0.044	-0.044	0.000	0.000	0.000	0.000
39	A	611	SER	0	0.011	-0.004	44.427	0.018	0.018	0.000	0.000	0.000	0.000
40	A	612	LYS	1	1.022	0.986	42.998	-6.466	-6.466	0.000	0.000	0.000	0.000
41	A	613	ASP	-1	-0.920	-0.957	41.366	7.241	7.241	0.000	0.000	0.000	0.000
42	A	614	LEU	0	-0.050	-0.024	38.436	0.208	0.208	0.000	0.000	0.000	0.000
43	A	615	LEU	0	-0.036	-0.007	37.210	0.200	0.200	0.000	0.000	0.000	0.000
44	A	616	GLN	0	0.031	0.013	34.518	-0.067	-0.067	0.000	0.000	0.000	0.000
45	A	617	THR	0	-0.008	0.006	33.339	0.216	0.216	0.000	0.000	0.000	0.000
46	A	618	MET	0	-0.030	0.004	31.261	0.258	0.258	0.000	0.000	0.000	0.000
47	A	619	PHE	0	0.030	0.001	27.917	-0.137	-0.137	0.000	0.000	0.000	0.000
48	A	620	PRO	0	-0.017	-0.011	27.623	0.343	0.343	0.000	0.000	0.000	0.000
49	A	621	VAL	0	-0.015	0.003	21.818	0.011	0.011	0.000	0.000	0.000	0.000
50	A	622	ASP	-1	-0.849	-0.921	23.024	12.367	12.367	0.000	0.000	0.000	0.000
51	A	623	PHE	0	0.005	0.012	16.462	-0.029	-0.029	0.000	0.000	0.000	0.000
52	A	624	ILE	0	0.024	0.005	16.775	-0.116	-0.116	0.000	0.000	0.000	0.000
53	A	625	HIS	0	-0.041	0.030	9.288	0.831	0.831	0.000	0.000	0.000	0.000
54	A	626	GLU	-1	-0.893	-0.944	8.462	29.829	29.829	0.000	0.000	0.000	0.000
55	A	627	GLY	0	0.055	0.020	12.503	-0.680	-0.680	0.000	0.000	0.000	0.000
56	A	628	LYS	1	0.881	0.939	14.664	-20.381	-20.381	0.000	0.000	0.000	0.000
57	A	629	ARG	1	0.920	0.957	17.443	-11.733	-11.733	0.000	0.000	0.000	0.000
58	A	630	TYR	0	-0.039	-0.033	14.546	0.132	0.132	0.000	0.000	0.000	0.000
59	A	631	LYS	1	0.995	0.991	20.251	-10.784	-10.784	0.000	0.000	0.000	0.000
60	A	632	PHE	0	0.004	-0.005	18.441	-0.099	-0.099	0.000	0.000	0.000	0.000
61	A	633	THR	0	-0.049	-0.021	24.028	-0.557	-0.557	0.000	0.000	0.000	0.000
62	A	634	VAL	0	0.002	-0.001	24.220	0.199	0.199	0.000	0.000	0.000	0.000
63	A	635	ALA	0	0.047	0.033	27.082	-0.304	-0.304	0.000	0.000	0.000	0.000
64	A	636	LYS	1	0.884	0.955	28.863	-9.553	-9.553	0.000	0.000	0.000	0.000
65	A	637	SER	0	0.007	-0.016	30.347	-0.255	-0.255	0.000	0.000	0.000	0.000
66	A	638	GLY	0	0.031	-0.001	31.810	-0.213	-0.213	0.000	0.000	0.000	0.000
67	A	639	ASN	0	-0.027	-0.009	31.321	0.146	0.146	0.000	0.000	0.000	0.000
68	A	640	ASP	-1	-0.872	-0.941	28.194	10.273	10.273	0.000	0.000	0.000	0.000
69	A	641	ARG	1	0.926	0.979	27.151	-9.745	-9.745	0.000	0.000	0.000	0.000
70	A	642	TYR	0	0.080	0.039	24.911	-0.392	-0.392	0.000	0.000	0.000	0.000
71	A	643	THR	0	-0.007	-0.017	25.681	0.135	0.135	0.000	0.000	0.000	0.000
72	A	644	LEU	0	-0.059	-0.003	20.159	-0.303	-0.303	0.000	0.000	0.000	0.000
73	A	645	PHE	0	0.014	0.004	24.339	-0.012	-0.012	0.000	0.000	0.000	0.000
74	A	646	ILE	0	-0.039	-0.023	20.684	0.038	0.038	0.000	0.000	0.000	0.000
75	A	647	ASN	0	-0.014	-0.017	22.801	-0.477	-0.477	0.000	0.000	0.000	0.000
76	A	648	GLY	0	0.010	0.013	25.806	-0.312	-0.312	0.000	0.000	0.000	0.000
77	A	649	SER	0	0.005	0.016	23.270	-0.110	-0.110	0.000	0.000	0.000	0.000
78	A	650	LYS	1	0.955	0.975	24.916	-10.182	-10.182	0.000	0.000	0.000	0.000
79	A	651	CYS	0	-0.017	-0.003	19.715	0.242	0.242	0.000	0.000	0.000	0.000
80	A	652	ASP	-1	-0.905	-0.952	23.377	10.939	10.939	0.000	0.000	0.000	0.000
81	A	653	ILE	0	0.010	-0.006	19.726	0.473	0.473	0.000	0.000	0.000	0.000
82	A	654	ILE	0	-0.080	-0.043	22.947	-0.627	-0.627	0.000	0.000	0.000	0.000
83	A	655	LEU	0	0.006	0.001	21.236	0.611	0.611	0.000	0.000	0.000	0.000
84	A	656	ARG	1	0.917	0.951	23.274	-11.258	-11.258	0.000	0.000	0.000	0.000
85	A	657	GLN	0	0.047	0.020	22.993	0.298	0.298	0.000	0.000	0.000	0.000
86	A	658	LEU	0	-0.064	-0.023	19.003	-0.322	-0.322	0.000	0.000	0.000	0.000
87	A	659	SER	0	-0.012	0.000	23.281	-0.296	-0.296	0.000	0.000	0.000	0.000
88	A	660	ASP	-1	-0.834	-0.901	19.876	13.323	13.323	0.000	0.000	0.000	0.000
89	A	661	GLY	0	0.018	-0.008	21.704	-0.116	-0.116	0.000	0.000	0.000	0.000
90	A	662	GLY	0	-0.004	0.009	18.572	0.233	0.233	0.000	0.000	0.000	0.000
91	A	663	LEU	0	-0.044	-0.027	18.105	-0.644	-0.644	0.000	0.000	0.000	0.000
92	A	664	LEU	0	-0.008	-0.001	17.871	0.954	0.954	0.000	0.000	0.000	0.000
93	A	665	ILE	0	0.022	0.008	17.700	-0.673	-0.673	0.000	0.000	0.000	0.000
94	A	666	ALA	0	-0.030	-0.023	18.621	0.670	0.670	0.000	0.000	0.000	0.000
95	A	667	ILE	0	0.005	-0.002	15.790	-0.554	-0.554	0.000	0.000	0.000	0.000
96	A	668	GLY	0	0.050	0.028	19.633	0.211	0.211	0.000	0.000	0.000	0.000
97	A	669	GLY	0	-0.034	-0.027	20.904	0.362	0.362	0.000	0.000	0.000	0.000
98	A	670	LYS	1	0.985	0.979	13.728	-20.530	-20.530	0.000	0.000	0.000	0.000
99	A	671	SER	0	-0.025	-0.010	17.790	0.221	0.221	0.000	0.000	0.000	0.000
100	A	672	HIS	1	0.876	0.946	12.833	-19.405	-19.405	0.000	0.000	0.000	0.000
101	A	673	THR	0	-0.023	0.012	14.295	-0.691	-0.691	0.000	0.000	0.000	0.000
102	A	674	ILE	0	0.021	0.001	13.536	1.329	1.329	0.000	0.000	0.000	0.000
103	A	675	TYR	0	-0.036	-0.015	13.497	-0.878	-0.878	0.000	0.000	0.000	0.000
104	A	676	TRP	0	0.045	0.028	13.820	1.329	1.329	0.000	0.000	0.000	0.000
105	A	677	LYS	1	0.954	0.964	15.733	-15.830	-15.830	0.000	0.000	0.000	0.000
106	A	678	GLU	-1	-0.847	-0.893	17.209	14.136	14.136	0.000	0.000	0.000	0.000
107	A	679	GLU	-1	-0.896	-0.948	15.593	16.653	16.653	0.000	0.000	0.000	0.000
108	A	680	VAL	0	-0.016	-0.015	20.071	-0.167	-0.167	0.000	0.000	0.000	0.000
109	A	681	ALA	0	0.002	0.005	20.438	-0.419	-0.419	0.000	0.000	0.000	0.000
110	A	682	ALA	0	0.002	-0.002	16.629	0.263	0.263	0.000	0.000	0.000	0.000
111	A	683	THR	0	-0.033	-0.021	16.965	-0.402	-0.402	0.000	0.000	0.000	0.000
112	A	684	ARG	1	0.897	0.947	10.072	-19.729	-19.729	0.000	0.000	0.000	0.000
113	A	685	LEU	0	-0.008	0.004	12.673	-0.690	-0.690	0.000	0.000	0.000	0.000
114	A	686	SER	0	-0.032	-0.021	9.247	1.516	1.516	0.000	0.000	0.000	0.000
115	A	687	VAL	0	0.023	0.009	9.352	-1.936	-1.936	0.000	0.000	0.000	0.000
116	A	688	ASP	-1	-0.811	-0.913	8.807	25.003	25.003	0.000	0.000	0.000	0.000
117	A	689	SER	0	-0.112	-0.063	8.091	1.647	1.647	0.000	0.000	0.000	0.000
118	A	690	MET	0	0.049	0.053	3.690	2.372	2.656	0.000	-0.069	-0.215	0.000
119	A	691	THR	0	-0.058	-0.050	5.556	-1.945	-1.945	0.000	0.000	0.000	0.000
120	A	692	THR	0	-0.033	-0.054	6.651	3.248	3.248	0.000	0.000	0.000	0.000
121	A	693	LEU	0	-0.003	0.000	9.176	-1.367	-1.367	0.000	0.000	0.000	0.000
122	A	694	LEU	0	-0.049	-0.018	12.529	0.281	0.281	0.000	0.000	0.000	0.000
123	A	695	GLU	-1	-0.892	-0.952	15.082	17.330	17.330	0.000	0.000	0.000	0.000
124	A	696	VAL	0	0.002	0.000	17.701	-0.247	-0.247	0.000	0.000	0.000	0.000
125	A	697	GLU	-1	-0.940	-0.977	21.289	11.569	11.569	0.000	0.000	0.000	0.000
126	A	698	ASN	0	-0.052	-0.022	21.761	-0.564	-0.564	0.000	0.000	0.000	0.000
127	A	699	ASP	-1	-0.812	-0.878	23.988	9.711	9.711	0.000	0.000	0.000	0.000
128	A	700	PRO	0	-0.007	-0.015	26.192	-0.114	-0.114	0.000	0.000	0.000	0.000
129	A	701	THR	0	-0.055	-0.040	27.502	-0.219	-0.219	0.000	0.000	0.000	0.000
130	A	702	GLN	0	-0.035	-0.022	28.796	0.026	0.026	0.000	0.000	0.000	0.000
131	A	703	LEU	0	0.020	0.021	28.524	0.414	0.414	0.000	0.000	0.000	0.000
132	A	704	ARG	1	0.926	0.951	26.554	-10.676	-10.676	0.000	0.000	0.000	0.000
133	A	705	THR	0	-0.002	-0.004	27.278	0.259	0.259	0.000	0.000	0.000	0.000
134	A	706	PRO	0	-0.019	0.000	23.468	0.160	0.160	0.000	0.000	0.000	0.000
135	A	707	SER	0	-0.011	-0.018	24.332	0.253	0.253	0.000	0.000	0.000	0.000
136	A	708	PRO	0	-0.001	0.009	26.667	-0.214	-0.214	0.000	0.000	0.000	0.000
137	A	709	GLY	0	0.002	-0.005	30.217	0.097	0.097	0.000	0.000	0.000	0.000
138	A	710	LYS	1	0.948	0.993	33.305	-7.529	-7.529	0.000	0.000	0.000	0.000
139	A	711	LEU	0	0.029	0.032	35.069	0.160	0.160	0.000	0.000	0.000	0.000
140	A	712	VAL	0	-0.049	-0.019	36.697	-0.274	-0.274	0.000	0.000	0.000	0.000
141	A	713	LYS	1	0.965	0.970	37.986	-7.566	-7.566	0.000	0.000	0.000	0.000
142	A	714	PHE	0	0.004	0.007	35.395	0.257	0.257	0.000	0.000	0.000	0.000
143	A	715	LEU	0	-0.112	-0.052	34.798	-0.186	-0.186	0.000	0.000	0.000	0.000
144	A	716	VAL	0	0.061	0.028	36.843	0.090	0.090	0.000	0.000	0.000	0.000
145	A	717	GLU	-1	-0.948	-0.953	39.669	6.615	6.615	0.000	0.000	0.000	0.000
146	A	718	ASN	0	0.009	-0.027	41.207	0.266	0.266	0.000	0.000	0.000	0.000
147	A	719	GLY	0	0.006	0.005	41.463	-0.144	-0.144	0.000	0.000	0.000	0.000
148	A	720	GLU	-1	-0.905	-0.945	39.201	7.470	7.470	0.000	0.000	0.000	0.000
149	A	721	HIS	0	-0.075	-0.057	35.265	0.087	0.087	0.000	0.000	0.000	0.000
150	A	722	ILE	0	-0.025	-0.001	32.354	0.038	0.038	0.000	0.000	0.000	0.000
151	A	723	ILE	0	0.034	0.017	30.902	0.144	0.144	0.000	0.000	0.000	0.000
152	A	724	LYS	1	0.879	0.942	22.895	-12.224	-12.224	0.000	0.000	0.000	0.000
153	A	725	GLY	0	-0.016	-0.014	26.840	-0.037	-0.037	0.000	0.000	0.000	0.000
154	A	726	GLN	0	0.053	0.024	27.656	-0.005	-0.005	0.000	0.000	0.000	0.000
155	A	727	PRO	0	-0.036	-0.035	30.775	0.080	0.080	0.000	0.000	0.000	0.000
156	A	728	TYR	0	0.048	0.030	29.193	-0.321	-0.321	0.000	0.000	0.000	0.000
157	A	729	ALA	0	-0.014	-0.014	33.071	-0.263	-0.263	0.000	0.000	0.000	0.000
158	A	730	GLU	-1	-0.926	-0.952	33.130	8.329	8.329	0.000	0.000	0.000	0.000
159	A	731	ILE	0	0.009	-0.010	30.160	-0.253	-0.253	0.000	0.000	0.000	0.000
160	A	732	GLU	-1	-0.938	-0.973	33.456	7.849	7.849	0.000	0.000	0.000	0.000
161	A	733	VAL	0	-0.027	-0.032	28.418	0.022	0.022	0.000	0.000	0.000	0.000
162	A	734	MET	0	0.054	0.012	30.179	-0.095	-0.095	0.000	0.000	0.000	0.000
163	A	735	LYS	1	0.933	0.975	32.761	-7.647	-7.647	0.000	0.000	0.000	0.000
164	A	736	MET	0	-0.025	0.006	30.350	-0.271	-0.271	0.000	0.000	0.000	0.000
165	A	737	GLN	0	-0.002	-0.006	33.056	-0.111	-0.111	0.000	0.000	0.000	0.000
166	A	738	MET	0	-0.030	-0.022	25.205	0.279	0.279	0.000	0.000	0.000	0.000
167	A	739	PRO	0	0.017	0.031	29.092	-0.192	-0.192	0.000	0.000	0.000	0.000
168	A	740	LEU	0	-0.041	-0.001	27.765	0.422	0.422	0.000	0.000	0.000	0.000
169	A	741	VAL	0	0.018	0.003	26.407	-0.276	-0.276	0.000	0.000	0.000	0.000
170	A	742	SER	0	0.000	0.013	27.276	0.371	0.371	0.000	0.000	0.000	0.000
171	A	743	GLN	0	0.035	0.000	23.353	0.514	0.514	0.000	0.000	0.000	0.000
172	A	744	GLU	-1	-0.941	-0.993	25.576	11.621	11.621	0.000	0.000	0.000	0.000
173	A	745	ASN	0	-0.007	0.011	28.241	-0.202	-0.202	0.000	0.000	0.000	0.000
174	A	746	GLY	0	0.066	0.049	31.679	0.029	0.029	0.000	0.000	0.000	0.000
175	A	747	ILE	0	-0.022	0.004	34.922	-0.052	-0.052	0.000	0.000	0.000	0.000
176	A	748	VAL	0	0.008	0.011	34.712	0.088	0.088	0.000	0.000	0.000	0.000
177	A	749	GLN	0	-0.028	-0.023	37.228	-0.417	-0.417	0.000	0.000	0.000	0.000
178	A	750	LEU	0	-0.028	-0.012	37.765	0.210	0.210	0.000	0.000	0.000	0.000
179	A	751	LEU	0	-0.032	-0.006	36.355	-0.159	-0.159	0.000	0.000	0.000	0.000
180	A	752	LYS	1	0.875	0.947	35.398	-8.307	-8.307	0.000	0.000	0.000	0.000
181	A	753	GLN	0	0.038	0.013	38.607	-0.084	-0.084	0.000	0.000	0.000	0.000
182	A	754	PRO	0	0.042	0.012	40.387	0.099	0.099	0.000	0.000	0.000	0.000
183	A	755	GLY	0	-0.031	-0.011	40.374	-0.183	-0.183	0.000	0.000	0.000	0.000
184	A	756	SER	0	-0.056	-0.016	38.861	0.016	0.016	0.000	0.000	0.000	0.000
185	A	757	THR	0	-0.006	-0.013	37.666	0.191	0.191	0.000	0.000	0.000	0.000
186	A	758	ILE	0	-0.017	-0.022	32.581	-0.031	-0.031	0.000	0.000	0.000	0.000
187	A	759	VAL	0	0.009	-0.004	30.847	0.080	0.080	0.000	0.000	0.000	0.000
188	A	760	ALA	0	0.009	-0.008	26.290	0.115	0.115	0.000	0.000	0.000	0.000
189	A	761	GLY	0	0.044	0.022	26.853	-0.086	-0.086	0.000	0.000	0.000	0.000
190	A	762	ASP	-1	-0.837	-0.913	27.516	8.668	8.668	0.000	0.000	0.000	0.000
191	A	763	ILE	0	-0.059	-0.035	30.717	0.192	0.192	0.000	0.000	0.000	0.000
192	A	764	MET	0	-0.005	0.001	31.627	-0.345	-0.345	0.000	0.000	0.000	0.000
193	A	765	ALA	0	0.024	-0.001	33.173	-0.309	-0.309	0.000	0.000	0.000	0.000
194	A	766	ILE	0	-0.001	0.011	33.142	0.283	0.283	0.000	0.000	0.000	0.000
195	A	767	MET	0	-0.014	0.005	31.816	-0.158	-0.158	0.000	0.000	0.000	0.000
196	A	768	THR	0	0.013	0.009	33.989	0.171	0.171	0.000	0.000	0.000	0.000
197	A	769	LEU	0	0.015	-0.013	29.517	0.167	0.167	0.000	0.000	0.000	0.000
198	A	770	ASP	-1	-0.835	-0.936	33.292	8.593	8.593	0.000	0.000	0.000	0.000
199	A	771	ASP	-1	-0.906	-0.959	31.030	9.660	9.660	0.000	0.000	0.000	0.000
200	A	772	PRO	0	-0.016	-0.015	30.855	0.373	0.373	0.000	0.000	0.000	0.000
201	A	773	SER	0	-0.055	-0.027	30.442	0.264	0.264	0.000	0.000	0.000	0.000
202	A	774	LYS	1	0.941	0.988	25.183	-11.252	-11.252	0.000	0.000	0.000	0.000
203	A	775	VAL	0	-0.023	-0.010	25.744	0.606	0.606	0.000	0.000	0.000	0.000
204	A	776	LYS	1	0.918	0.954	19.943	-14.379	-14.379	0.000	0.000	0.000	0.000
205	A	777	HIS	0	0.033	0.024	22.369	0.626	0.626	0.000	0.000	0.000	0.000
206	A	778	ALA	0	0.020	0.018	19.529	0.293	0.293	0.000	0.000	0.000	0.000
207	A	779	LEU	0	-0.010	-0.007	19.449	-0.548	-0.548	0.000	0.000	0.000	0.000
208	A	780	PRO	0	0.015	0.011	20.330	0.650	0.650	0.000	0.000	0.000	0.000
209	A	781	PHE	0	-0.052	-0.028	16.291	0.460	0.460	0.000	0.000	0.000	0.000
210	A	782	GLU	-1	-0.912	-0.952	20.343	12.974	12.974	0.000	0.000	0.000	0.000
211	A	783	GLY	0	-0.003	0.003	20.289	-0.440	-0.440	0.000	0.000	0.000	0.000
212	A	784	MET	0	0.009	0.015	21.288	-0.643	-0.643	0.000	0.000	0.000	0.000
213	A	785	LEU	0	-0.031	-0.038	18.406	0.797	0.797	0.000	0.000	0.000	0.000
214	A	786	PRO	0	-0.026	0.002	16.850	-0.591	-0.591	0.000	0.000	0.000	0.000
215	A	787	ASP	-1	-0.899	-0.961	20.103	12.652	12.652	0.000	0.000	0.000	0.000
216	A	788	PHE	0	-0.029	-0.006	15.103	0.371	0.371	0.000	0.000	0.000	0.000
217	A	789	GLY	0	-0.008	-0.007	20.586	-0.715	-0.715	0.000	0.000	0.000	0.000
218	A	790	SER	0	-0.027	-0.009	21.391	0.291	0.291	0.000	0.000	0.000	0.000
219	A	791	PRO	0	-0.012	-0.011	23.494	-0.442	-0.442	0.000	0.000	0.000	0.000
220	A	792	VAL	0	-0.043	-0.005	27.040	-0.018	-0.018	0.000	0.000	0.000	0.000
221	A	793	ILE	0	0.063	0.030	29.961	-0.059	-0.059	0.000	0.000	0.000	0.000
222	A	794	GLU	-1	-0.878	-0.943	31.955	8.303	8.303	0.000	0.000	0.000	0.000
223	A	795	GLY	0	-0.035	-0.033	35.233	-0.162	-0.162	0.000	0.000	0.000	0.000
224	A	796	THR	0	0.005	0.012	33.717	-0.114	-0.114	0.000	0.000	0.000	0.000
225	A	797	LYS	1	0.993	0.986	34.256	-8.981	-8.981	0.000	0.000	0.000	0.000
226	A	798	PRO	0	-0.001	-0.011	35.944	0.029	0.029	0.000	0.000	0.000	0.000
227	A	799	ALA	0	0.073	0.043	36.542	-0.057	-0.057	0.000	0.000	0.000	0.000
228	A	800	TYR	0	0.020	0.006	29.556	0.007	0.007	0.000	0.000	0.000	0.000
229	A	801	LYS	1	0.916	0.973	34.642	-7.814	-7.814	0.000	0.000	0.000	0.000
230	A	802	PHE	0	-0.011	-0.004	36.831	-0.053	-0.053	0.000	0.000	0.000	0.000
231	A	803	LYS	1	0.964	0.968	34.590	-8.859	-8.859	0.000	0.000	0.000	0.000
232	A	804	SER	0	-0.026	0.000	33.095	0.034	0.034	0.000	0.000	0.000	0.000
233	A	805	LEU	0	0.030	0.030	34.839	-0.018	-0.018	0.000	0.000	0.000	0.000
234	A	806	VAL	0	0.037	0.023	38.166	-0.071	-0.071	0.000	0.000	0.000	0.000
235	A	807	SER	0	0.011	0.004	34.269	0.008	0.008	0.000	0.000	0.000	0.000
236	A	808	THR	0	-0.061	-0.037	35.858	0.095	0.095	0.000	0.000	0.000	0.000
237	A	809	LEU	0	-0.016	-0.021	36.922	-0.073	-0.073	0.000	0.000	0.000	0.000
238	A	810	GLU	-1	-0.900	-0.955	38.331	7.536	7.536	0.000	0.000	0.000	0.000
239	A	811	ASN	0	-0.009	-0.016	34.265	-0.225	-0.225	0.000	0.000	0.000	0.000
240	A	812	ILE	0	-0.016	0.003	37.908	-0.002	-0.002	0.000	0.000	0.000	0.000
241	A	813	LEU	0	-0.006	-0.002	40.221	-0.145	-0.145	0.000	0.000	0.000	0.000
242	A	814	LYS	1	0.904	0.973	37.606	-8.092	-8.092	0.000	0.000	0.000	0.000
243	A	815	GLY	0	0.000	0.010	40.202	0.011	0.011	0.000	0.000	0.000	0.000
244	A	816	TYR	0	-0.046	-0.029	33.929	0.158	0.158	0.000	0.000	0.000	0.000
245	A	817	ASP	-1	-0.910	-0.973	37.264	7.961	7.961	0.000	0.000	0.000	0.000
246	A	818	ASN	0	-0.018	0.010	34.309	-0.155	-0.155	0.000	0.000	0.000	0.000
247	A	819	GLN	0	0.023	-0.012	33.729	0.481	0.481	0.000	0.000	0.000	0.000
248	A	820	VAL	0	-0.007	0.005	31.804	-0.178	-0.178	0.000	0.000	0.000	0.000
249	A	821	ILE	0	0.013	0.005	34.469	0.109	0.109	0.000	0.000	0.000	0.000
250	A	822	MET	0	-0.023	-0.011	36.646	-0.060	-0.060	0.000	0.000	0.000	0.000
251	A	823	ASN	0	0.068	0.036	38.171	-0.115	-0.115	0.000	0.000	0.000	0.000
252	A	824	ALA	0	0.020	0.023	40.940	-0.172	-0.172	0.000	0.000	0.000	0.000
253	A	825	SER	0	-0.027	-0.032	40.671	-0.075	-0.075	0.000	0.000	0.000	0.000
254	A	826	LEU	0	0.048	0.024	42.089	0.030	0.030	0.000	0.000	0.000	0.000
255	A	827	GLN	0	0.048	0.017	45.363	-0.069	-0.069	0.000	0.000	0.000	0.000
256	A	828	GLN	0	0.021	-0.011	40.233	0.063	0.063	0.000	0.000	0.000	0.000
257	A	829	LEU	0	-0.009	0.008	42.083	0.102	0.102	0.000	0.000	0.000	0.000
258	A	830	ILE	0	0.013	0.003	43.924	-0.019	-0.019	0.000	0.000	0.000	0.000
259	A	831	GLU	-1	-0.958	-0.973	44.381	7.105	7.105	0.000	0.000	0.000	0.000
260	A	832	VAL	0	-0.067	-0.040	41.108	-0.017	-0.017	0.000	0.000	0.000	0.000
261	A	833	LEU	0	-0.003	0.000	44.336	0.008	0.008	0.000	0.000	0.000	0.000
262	A	834	ARG	1	0.917	0.980	46.613	-6.254	-6.254	0.000	0.000	0.000	0.000
263	A	835	ASN	0	0.005	0.004	43.907	-0.218	-0.218	0.000	0.000	0.000	0.000
264	A	836	PRO	0	0.062	0.014	46.689	0.133	0.133	0.000	0.000	0.000	0.000
265	A	837	LYS	1	0.921	0.958	43.574	-7.048	-7.048	0.000	0.000	0.000	0.000
266	A	838	LEU	0	-0.017	0.017	41.107	0.208	0.208	0.000	0.000	0.000	0.000
267	A	839	PRO	0	0.058	0.032	42.319	0.172	0.172	0.000	0.000	0.000	0.000
268	A	840	TYR	0	0.022	0.013	43.099	0.136	0.136	0.000	0.000	0.000	0.000
269	A	841	SER	0	-0.015	0.000	38.431	0.203	0.203	0.000	0.000	0.000	0.000
270	A	842	GLU	-1	-0.859	-0.943	38.187	8.087	8.087	0.000	0.000	0.000	0.000
271	A	843	TRP	0	0.024	0.001	38.601	0.181	0.181	0.000	0.000	0.000	0.000
272	A	844	LYS	1	0.885	0.940	37.359	-7.958	-7.958	0.000	0.000	0.000	0.000
273	A	845	LEU	0	-0.028	-0.028	31.904	0.207	0.207	0.000	0.000	0.000	0.000
274	A	846	HIS	0	-0.022	-0.002	34.052	0.189	0.189	0.000	0.000	0.000	0.000
275	A	847	ILE	0	0.036	0.023	35.479	0.163	0.163	0.000	0.000	0.000	0.000
276	A	848	SER	0	-0.051	-0.024	31.963	0.116	0.116	0.000	0.000	0.000	0.000
277	A	849	ALA	0	0.004	0.000	31.178	0.160	0.160	0.000	0.000	0.000	0.000
278	A	850	LEU	0	-0.008	-0.010	32.225	0.077	0.077	0.000	0.000	0.000	0.000
279	A	851	HIS	1	0.865	0.917	34.602	-8.832	-8.832	0.000	0.000	0.000	0.000
280	A	852	SER	0	0.032	0.019	31.806	-0.231	-0.231	0.000	0.000	0.000	0.000
281	A	853	ARG	1	0.947	0.973	30.265	-9.755	-9.755	0.000	0.000	0.000	0.000
282	A	854	LEU	0	-0.028	0.000	35.998	-0.221	-0.221	0.000	0.000	0.000	0.000
283	A	855	PRO	0	0.031	0.014	39.495	0.034	0.034	0.000	0.000	0.000	0.000
284	A	856	ALA	0	0.054	0.023	41.138	-0.044	-0.044	0.000	0.000	0.000	0.000
285	A	857	LYS	1	1.013	1.019	42.317	-6.341	-6.341	0.000	0.000	0.000	0.000
286	A	858	LEU	0	-0.003	-0.004	43.956	-0.096	-0.096	0.000	0.000	0.000	0.000
287	A	859	ASP	-1	-0.837	-0.913	39.621	8.021	8.021	0.000	0.000	0.000	0.000
288	A	860	GLU	-1	-0.891	-0.937	42.950	6.978	6.978	0.000	0.000	0.000	0.000
289	A	861	GLN	0	-0.044	-0.026	45.389	-0.051	-0.051	0.000	0.000	0.000	0.000
290	A	862	MET	0	-0.025	-0.010	42.628	-0.133	-0.133	0.000	0.000	0.000	0.000
291	A	863	GLU	-1	-0.891	-0.936	42.667	7.430	7.430	0.000	0.000	0.000	0.000
292	A	864	GLU	-1	-0.867	-0.937	45.154	6.176	6.176	0.000	0.000	0.000	0.000
293	A	865	LEU	0	-0.041	-0.035	48.382	-0.158	-0.158	0.000	0.000	0.000	0.000
294	A	866	VAL	0	0.001	-0.001	44.957	-0.138	-0.138	0.000	0.000	0.000	0.000
295	A	867	ALA	0	0.013	0.008	46.699	-0.091	-0.091	0.000	0.000	0.000	0.000
296	A	868	ARG	1	0.848	0.905	48.232	-6.156	-6.156	0.000	0.000	0.000	0.000
297	A	869	SER	0	-0.070	-0.045	50.263	-0.177	-0.177	0.000	0.000	0.000	0.000
298	A	870	LEU	0	-0.068	-0.020	46.140	-0.044	-0.044	0.000	0.000	0.000	0.000
299	A	871	ARG	1	0.923	0.987	50.366	-6.307	-6.307	0.000	0.000	0.000	0.000
300	A	872	ARG	1	0.966	0.989	54.179	-5.885	-5.885	0.000	0.000	0.000	0.000
301	A	873	GLY	0	0.028	0.009	55.087	-0.114	-0.114	0.000	0.000	0.000	0.000
302	A	874	ALA	0	0.018	0.017	51.510	0.099	0.099	0.000	0.000	0.000	0.000
303	A	875	VAL	0	-0.023	-0.026	51.397	0.048	0.048	0.000	0.000	0.000	0.000
304	A	876	PHE	0	0.018	0.016	45.117	-0.044	-0.044	0.000	0.000	0.000	0.000
305	A	877	PRO	0	0.014	0.018	48.793	-0.119	-0.119	0.000	0.000	0.000	0.000
306	A	878	ALA	0	0.051	0.019	49.657	0.034	0.034	0.000	0.000	0.000	0.000
307	A	879	ARG	1	0.978	0.987	50.654	-5.645	-5.645	0.000	0.000	0.000	0.000
308	A	880	GLN	0	-0.033	-0.032	52.778	-0.024	-0.024	0.000	0.000	0.000	0.000
309	A	881	LEU	0	0.015	0.016	46.735	-0.012	-0.012	0.000	0.000	0.000	0.000
310	A	882	SER	0	0.058	0.029	49.216	0.100	0.100	0.000	0.000	0.000	0.000
311	A	883	LYS	1	0.895	0.961	50.837	-5.925	-5.925	0.000	0.000	0.000	0.000
312	A	884	LEU	0	-0.039	-0.023	49.332	-0.021	-0.021	0.000	0.000	0.000	0.000
313	A	885	ILE	0	0.052	0.029	45.290	0.025	0.025	0.000	0.000	0.000	0.000
314	A	886	ASP	-1	-0.853	-0.924	48.305	6.288	6.288	0.000	0.000	0.000	0.000
315	A	887	MET	0	-0.120	-0.070	50.928	-0.055	-0.055	0.000	0.000	0.000	0.000
316	A	888	ALA	0	-0.020	0.001	47.125	-0.020	-0.020	0.000	0.000	0.000	0.000
317	A	889	VAL	0	0.005	0.007	46.030	0.042	0.042	0.000	0.000	0.000	0.000
318	A	890	LYS	1	0.899	0.945	48.431	-5.783	-5.783	0.000	0.000	0.000	0.000
319	A	891	ASN	0	0.045	0.017	50.417	-0.107	-0.107	0.000	0.000	0.000	0.000
320	A	892	PRO	0	0.000	-0.019	49.711	0.122	0.122	0.000	0.000	0.000	0.000
321	A	893	GLU	-1	-0.960	-0.964	48.995	6.545	6.545	0.000	0.000	0.000	0.000
322	A	894	TYR	0	-0.013	-0.007	45.809	0.082	0.082	0.000	0.000	0.000	0.000
323	A	895	ASN	0	-0.035	-0.018	44.308	0.352	0.352	0.000	0.000	0.000	0.000
324	A	896	PRO	0	0.005	0.016	42.939	-0.123	-0.123	0.000	0.000	0.000	0.000
325	A	897	ASP	-1	-0.903	-0.957	42.151	7.016	7.016	0.000	0.000	0.000	0.000
326	A	898	LYS	1	0.923	0.951	43.361	-6.250	-6.250	0.000	0.000	0.000	0.000
327	A	899	LEU	0	0.050	0.032	38.413	0.057	0.057	0.000	0.000	0.000	0.000
328	A	900	LEU	0	-0.039	-0.027	40.054	0.194	0.194	0.000	0.000	0.000	0.000
329	A	901	GLY	0	-0.002	0.007	42.247	-0.045	-0.045	0.000	0.000	0.000	0.000
330	A	902	ALA	0	0.037	0.002	38.427	0.038	0.038	0.000	0.000	0.000	0.000
331	A	903	VAL	0	-0.055	-0.012	36.447	0.243	0.243	0.000	0.000	0.000	0.000
332	A	904	VAL	0	0.003	-0.010	38.111	0.176	0.176	0.000	0.000	0.000	0.000
333	A	905	GLU	-1	-0.877	-0.916	39.181	7.383	7.383	0.000	0.000	0.000	0.000
334	A	906	PRO	0	-0.006	-0.019	36.759	-0.090	-0.090	0.000	0.000	0.000	0.000
335	A	907	LEU	0	-0.042	-0.030	39.029	-0.034	-0.034	0.000	0.000	0.000	0.000
336	A	908	ALA	0	0.026	0.006	42.172	-0.165	-0.165	0.000	0.000	0.000	0.000
337	A	909	ASP	-1	-0.872	-0.915	42.508	7.130	7.130	0.000	0.000	0.000	0.000
338	A	910	ILE	0	-0.034	-0.021	40.103	-0.130	-0.130	0.000	0.000	0.000	0.000
339	A	911	ALA	0	-0.026	-0.022	44.380	-0.137	-0.137	0.000	0.000	0.000	0.000
340	A	912	HIS	0	0.041	0.030	47.519	-0.237	-0.237	0.000	0.000	0.000	0.000
341	A	913	LYS	1	0.932	0.999	41.545	-7.634	-7.634	0.000	0.000	0.000	0.000
342	A	914	TYR	0	-0.017	-0.037	43.493	-0.130	-0.130	0.000	0.000	0.000	0.000
343	A	915	SER	0	-0.067	-0.054	49.466	-0.166	-0.166	0.000	0.000	0.000	0.000
344	A	916	ASN	0	-0.089	-0.044	52.574	-0.153	-0.153	0.000	0.000	0.000	0.000
345	A	917	GLY	0	0.002	0.002	53.066	-0.096	-0.096	0.000	0.000	0.000	0.000
346	A	918	LEU	0	-0.017	-0.019	48.020	0.051	0.051	0.000	0.000	0.000	0.000
347	A	919	GLU	-1	-0.859	-0.920	50.728	5.700	5.700	0.000	0.000	0.000	0.000
348	A	920	ALA	0	-0.014	-0.009	52.828	0.026	0.026	0.000	0.000	0.000	0.000
349	A	921	HIS	0	0.043	0.010	44.563	-0.041	-0.041	0.000	0.000	0.000	0.000
350	A	922	GLU	-1	-0.873	-0.945	48.759	6.289	6.289	0.000	0.000	0.000	0.000
351	A	923	HIS	0	0.020	0.008	49.461	0.128	0.128	0.000	0.000	0.000	0.000
352	A	924	SER	0	-0.050	-0.013	48.579	0.037	0.037	0.000	0.000	0.000	0.000
353	A	925	ILE	0	0.013	0.012	43.927	0.088	0.088	0.000	0.000	0.000	0.000
354	A	926	PHE	0	0.014	-0.020	46.972	0.093	0.093	0.000	0.000	0.000	0.000
355	A	927	VAL	0	0.000	0.006	49.304	-0.052	-0.052	0.000	0.000	0.000	0.000
356	A	928	HIS	0	0.008	0.010	43.601	-0.190	-0.190	0.000	0.000	0.000	0.000
357	A	929	PHE	0	-0.023	-0.009	42.703	0.034	0.034	0.000	0.000	0.000	0.000
358	A	930	LEU	0	-0.024	-0.019	47.340	0.002	0.002	0.000	0.000	0.000	0.000
359	A	931	GLU	-1	-0.782	-0.897	49.942	5.829	5.829	0.000	0.000	0.000	0.000
360	A	932	GLU	-1	-0.925	-0.955	42.651	7.317	7.317	0.000	0.000	0.000	0.000
361	A	933	TYR	0	-0.093	-0.081	47.292	0.022	0.022	0.000	0.000	0.000	0.000
362	A	934	TYR	0	-0.022	-0.032	48.832	-0.018	-0.018	0.000	0.000	0.000	0.000
363	A	935	GLU	-1	-0.880	-0.959	48.710	6.050	6.050	0.000	0.000	0.000	0.000
364	A	936	VAL	0	-0.071	-0.018	45.711	0.025	0.025	0.000	0.000	0.000	0.000
365	A	937	GLU	-1	-0.779	-0.923	48.988	6.274	6.274	0.000	0.000	0.000	0.000
366	A	938	LYS	1	0.903	0.970	51.816	-6.012	-6.012	0.000	0.000	0.000	0.000
367	A	939	LEU	0	-0.067	-0.025	49.292	-0.108	-0.108	0.000	0.000	0.000	0.000
368	A	940	PHE	0	-0.042	-0.036	48.436	0.029	0.029	0.000	0.000	0.000	0.000
369	A	941	ASN	0	0.057	0.033	54.164	-0.096	-0.096	0.000	0.000	0.000	0.000
370	A	942	GLY	0	0.008	-0.005	57.644	0.007	0.007	0.000	0.000	0.000	0.000
371	A	943	PRO	0	-0.021	-0.013	59.677	-0.012	-0.012	0.000	0.000	0.000	0.000
372	A	944	ASN	0	-0.010	-0.001	61.709	-0.055	-0.055	0.000	0.000	0.000	0.000
373	A	945	VAL	0	0.026	0.016	55.651	0.055	0.055	0.000	0.000	0.000	0.000
374	A	946	ARG	1	0.920	0.964	56.317	-5.334	-5.334	0.000	0.000	0.000	0.000
375	A	947	GLU	-1	-0.869	-0.961	50.427	6.251	6.251	0.000	0.000	0.000	0.000
376	A	948	GLU	-1	-0.893	-0.949	51.084	6.097	6.097	0.000	0.000	0.000	0.000
377	A	949	ASN	0	0.004	-0.007	51.804	0.080	0.080	0.000	0.000	0.000	0.000
378	A	950	ILE	0	0.001	0.010	51.135	0.003	0.003	0.000	0.000	0.000	0.000
379	A	951	ILE	0	0.024	0.012	46.683	0.063	0.063	0.000	0.000	0.000	0.000
380	A	952	LEU	0	-0.038	-0.020	48.509	0.098	0.098	0.000	0.000	0.000	0.000
381	A	953	LYS	1	0.957	0.998	50.351	-5.624	-5.624	0.000	0.000	0.000	0.000
382	A	954	LEU	0	0.011	0.007	47.570	0.039	0.039	0.000	0.000	0.000	0.000
383	A	955	ARG	1	0.963	0.994	45.825	-6.173	-6.173	0.000	0.000	0.000	0.000
384	A	956	ASP	-1	-0.940	-0.965	47.167	6.090	6.090	0.000	0.000	0.000	0.000
385	A	957	GLU	-1	-0.966	-0.985	49.707	5.888	5.888	0.000	0.000	0.000	0.000
386	A	958	ASN	0	-0.122	-0.080	44.347	0.097	0.097	0.000	0.000	0.000	0.000
387	A	959	PRO	0	0.040	0.015	43.837	0.188	0.188	0.000	0.000	0.000	0.000
388	A	960	LYS	1	0.895	0.942	41.089	-7.020	-7.020	0.000	0.000	0.000	0.000
389	A	961	ASP	-1	-0.896	-0.942	39.088	7.878	7.878	0.000	0.000	0.000	0.000
390	A	962	LEU	0	0.011	-0.002	40.041	-0.079	-0.079	0.000	0.000	0.000	0.000
391	A	963	ASP	-1	-0.792	-0.881	34.734	8.591	8.591	0.000	0.000	0.000	0.000
392	A	964	LYS	1	0.944	0.978	37.872	-6.977	-6.977	0.000	0.000	0.000	0.000
393	A	965	VAL	0	-0.010	0.000	40.357	-0.084	-0.084	0.000	0.000	0.000	0.000
394	A	966	ALA	0	0.043	0.019	39.092	-0.107	-0.107	0.000	0.000	0.000	0.000
395	A	967	LEU	0	0.001	-0.003	36.344	-0.012	-0.012	0.000	0.000	0.000	0.000
396	A	968	THR	0	-0.031	-0.009	40.214	-0.077	-0.077	0.000	0.000	0.000	0.000
397	A	969	VAL	0	-0.015	-0.006	43.312	-0.117	-0.117	0.000	0.000	0.000	0.000
398	A	970	LEU	0	-0.019	0.004	37.340	-0.086	-0.086	0.000	0.000	0.000	0.000
399	A	971	SER	0	0.016	0.011	41.744	-0.143	-0.143	0.000	0.000	0.000	0.000
400	A	972	HIS	1	0.824	0.914	43.263	-6.366	-6.366	0.000	0.000	0.000	0.000
401	A	973	SER	0	-0.087	-0.055	43.386	-0.077	-0.077	0.000	0.000	0.000	0.000
402	A	974	LYS	1	0.911	0.969	40.476	-7.638	-7.638	0.000	0.000	0.000	0.000
403	A	975	VAL	0	0.006	0.013	44.697	0.015	0.015	0.000	0.000	0.000	0.000
404	A	976	SER	0	-0.059	-0.031	46.600	-0.058	-0.058	0.000	0.000	0.000	0.000
405	A	977	ALA	0	0.037	0.019	43.608	-0.060	-0.060	0.000	0.000	0.000	0.000
406	A	978	LYS	1	0.876	0.953	44.522	-6.823	-6.823	0.000	0.000	0.000	0.000
407	A	979	ASN	0	0.039	0.011	46.469	0.022	0.022	0.000	0.000	0.000	0.000
408	A	980	ASN	0	-0.042	-0.015	47.038	-0.074	-0.074	0.000	0.000	0.000	0.000
409	A	981	LEU	0	0.043	0.031	43.894	-0.045	-0.045	0.000	0.000	0.000	0.000
410	A	982	ILE	0	0.012	0.004	47.531	-0.081	-0.081	0.000	0.000	0.000	0.000
411	A	983	LEU	0	-0.003	0.003	50.406	-0.126	-0.126	0.000	0.000	0.000	0.000
412	A	984	ALA	0	-0.011	0.011	49.366	-0.103	-0.103	0.000	0.000	0.000	0.000
413	A	985	ILE	0	0.014	0.007	47.465	-0.049	-0.049	0.000	0.000	0.000	0.000
414	A	986	LEU	0	0.033	0.012	51.593	-0.088	-0.088	0.000	0.000	0.000	0.000
415	A	987	LYS	1	0.931	0.965	54.480	-5.713	-5.713	0.000	0.000	0.000	0.000
416	A	988	HIS	0	-0.045	-0.033	52.488	-0.109	-0.109	0.000	0.000	0.000	0.000
417	A	989	TYR	0	0.033	-0.017	51.797	-0.015	-0.015	0.000	0.000	0.000	0.000
418	A	990	GLN	0	0.051	0.035	56.749	-0.143	-0.143	0.000	0.000	0.000	0.000
419	A	991	PRO	0	-0.031	-0.013	58.497	-0.093	-0.093	0.000	0.000	0.000	0.000
420	A	992	LEU	0	-0.033	-0.022	55.679	-0.068	-0.068	0.000	0.000	0.000	0.000
421	A	993	CYS	0	-0.052	-0.019	59.174	-0.002	-0.002	0.000	0.000	0.000	0.000
422	A	994	LYS	1	0.986	1.009	61.772	-4.823	-4.823	0.000	0.000	0.000	0.000
423	A	995	LEU	0	-0.054	-0.016	62.829	-0.079	-0.079	0.000	0.000	0.000	0.000
424	A	996	SER	0	0.026	0.021	61.732	-0.078	-0.078	0.000	0.000	0.000	0.000
425	A	997	SER	0	0.131	0.042	63.468	0.055	0.055	0.000	0.000	0.000	0.000
426	A	998	LYS	1	0.925	0.954	60.689	-5.220	-5.220	0.000	0.000	0.000	0.000
427	A	999	VAL	0	-0.014	-0.008	57.960	0.054	0.054	0.000	0.000	0.000	0.000
428	A	1000	SER	0	0.069	0.027	59.556	0.074	0.074	0.000	0.000	0.000	0.000
429	A	1001	ALA	0	-0.001	0.005	61.249	0.033	0.033	0.000	0.000	0.000	0.000
430	A	1002	ILE	0	-0.048	0.033	55.569	0.025	0.025	0.000	0.000	0.000	0.000
431	A	1003	PHE	0	0.009	-0.008	53.378	0.078	0.078	0.000	0.000	0.000	0.000
432	A	1004	SER	0	-0.021	-0.048	58.011	0.016	0.016	0.000	0.000	0.000	0.000
433	A	1005	THR	0	0.002	-0.001	57.305	-0.032	-0.032	0.000	0.000	0.000	0.000
434	A	1006	PRO	0	0.023	0.016	54.317	-0.003	-0.003	0.000	0.000	0.000	0.000
435	A	1007	LEU	0	-0.010	-0.002	56.224	0.018	0.018	0.000	0.000	0.000	0.000
436	A	1008	GLN	0	-0.022	-0.021	58.662	-0.012	-0.012	0.000	0.000	0.000	0.000
437	A	1009	HIS	1	0.893	0.962	55.534	-5.631	-5.631	0.000	0.000	0.000	0.000
438	A	1010	ILE	0	-0.001	-0.004	53.509	-0.008	-0.008	0.000	0.000	0.000	0.000
439	A	1011	VAL	0	-0.056	-0.027	57.236	-0.017	-0.017	0.000	0.000	0.000	0.000
440	A	1012	GLU	-1	-0.889	-0.937	59.341	5.278	5.278	0.000	0.000	0.000	0.000
441	A	1013	LEU	0	-0.131	-0.039	54.327	0.011	0.011	0.000	0.000	0.000	0.000
442	A	1014	GLU	-1	-0.885	-0.912	58.564	5.005	5.005	0.000	0.000	0.000	0.000
443	A	1015	SER	0	0.043	-0.011	56.896	0.080	0.080	0.000	0.000	0.000	0.000
444	A	1016	LYS	1	0.925	0.960	57.023	-5.472	-5.472	0.000	0.000	0.000	0.000
445	A	1017	ALA	0	-0.026	-0.017	52.765	0.008	0.008	0.000	0.000	0.000	0.000
446	A	1018	THR	0	0.070	0.047	53.874	0.080	0.080	0.000	0.000	0.000	0.000
447	A	1019	ALA	0	-0.009	0.017	55.784	-0.044	-0.044	0.000	0.000	0.000	0.000
448	A	1020	LYS	1	0.939	0.947	56.408	-5.533	-5.533	0.000	0.000	0.000	0.000
449	A	1021	VAL	0	0.054	0.020	53.028	-0.040	-0.040	0.000	0.000	0.000	0.000
450	A	1022	ALA	0	0.073	0.039	56.419	-0.028	-0.028	0.000	0.000	0.000	0.000
451	A	1023	LEU	0	-0.085	-0.037	59.256	-0.081	-0.081	0.000	0.000	0.000	0.000
452	A	1024	GLN	0	0.029	0.006	57.763	-0.069	-0.069	0.000	0.000	0.000	0.000
453	A	1025	ALA	0	-0.011	0.006	58.362	-0.025	-0.025	0.000	0.000	0.000	0.000
454	A	1026	ARG	1	0.991	0.977	60.014	-5.042	-5.042	0.000	0.000	0.000	0.000
455	A	1027	GLU	-1	-0.937	-0.956	62.932	4.960	4.960	0.000	0.000	0.000	0.000
456	A	1028	ILE	0	-0.009	-0.004	59.157	-0.057	-0.057	0.000	0.000	0.000	0.000
457	A	1029	LEU	0	-0.008	-0.015	62.201	-0.043	-0.043	0.000	0.000	0.000	0.000
458	A	1030	ILE	0	-0.049	-0.017	65.022	-0.066	-0.066	0.000	0.000	0.000	0.000
459	A	1031	GLN	0	-0.038	-0.028	65.818	-0.084	-0.084	0.000	0.000	0.000	0.000
460	A	1032	GLY	0	-0.040	-0.005	66.610	-0.027	-0.027	0.000	0.000	0.000	0.000
461	A	1033	ALA	0	-0.026	-0.012	67.342	-0.041	-0.041	0.000	0.000	0.000	0.000
462	A	1034	LEU	0	-0.047	-0.011	70.554	-0.084	-0.084	0.000	0.000	0.000	0.000
463	A	1035	PRO	0	0.059	0.050	71.702	0.039	0.039	0.000	0.000	0.000	0.000
464	A	1036	SER	0	0.004	0.002	71.635	-0.045	-0.045	0.000	0.000	0.000	0.000
465	A	1037	VAL	0	0.045	0.003	73.427	-0.048	-0.048	0.000	0.000	0.000	0.000
466	A	1038	LYS	1	0.937	0.964	73.013	-4.439	-4.439	0.000	0.000	0.000	0.000
467	A	1039	GLU	-1	-0.822	-0.925	72.758	4.401	4.401	0.000	0.000	0.000	0.000
468	A	1040	ARG	1	0.873	0.950	75.893	-4.099	-4.099	0.000	0.000	0.000	0.000
469	A	1041	THR	0	-0.004	-0.004	79.013	-0.066	-0.066	0.000	0.000	0.000	0.000
470	A	1042	GLU	-1	-0.938	-0.968	75.741	4.246	4.246	0.000	0.000	0.000	0.000
471	A	1043	GLN	0	-0.004	-0.009	76.503	-0.086	-0.086	0.000	0.000	0.000	0.000
472	A	1044	ILE	0	0.027	0.027	81.114	-0.048	-0.048	0.000	0.000	0.000	0.000
473	A	1045	GLU	-1	-0.882	-0.940	83.472	3.797	3.797	0.000	0.000	0.000	0.000
474	A	1046	HIS	0	-0.046	-0.019	82.437	-0.057	-0.057	0.000	0.000	0.000	0.000
475	A	1047	ILE	0	0.018	0.006	83.726	-0.045	-0.045	0.000	0.000	0.000	0.000
476	A	1048	LEU	0	-0.012	-0.008	86.657	-0.052	-0.052	0.000	0.000	0.000	0.000
477	A	1049	LYS	1	0.968	1.018	86.180	-3.793	-3.793	0.000	0.000	0.000	0.000
478	A	1050	SER	0	-0.049	-0.028	87.310	-0.043	-0.043	0.000	0.000	0.000	0.000
479	A	1051	SER	0	-0.062	-0.060	89.350	-0.044	-0.044	0.000	0.000	0.000	0.000
480	A	1052	VAL	0	-0.002	-0.003	92.286	-0.052	-0.052	0.000	0.000	0.000	0.000
481	A	1053	VAL	0	-0.030	0.006	90.259	0.002	0.002	0.000	0.000	0.000	0.000
482	A	1054	LYS	1	0.938	0.979	92.936	-3.423	-3.423	0.000	0.000	0.000	0.000
483	A	1055	VAL	0	-0.022	-0.014	94.201	0.033	0.033	0.000	0.000	0.000	0.000
484	A	1056	ALA	0	0.000	-0.014	93.128	0.029	0.029	0.000	0.000	0.000	0.000
485	A	1057	TYR	0	-0.003	-0.007	88.900	-0.017	-0.017	0.000	0.000	0.000	0.000
486	A	1058	GLY	0	0.031	0.019	92.086	-0.013	-0.013	0.000	0.000	0.000	0.000
487	A	1059	SER	0	-0.046	0.004	94.705	-0.036	-0.036	0.000	0.000	0.000	0.000
488	A	1060	SER	0	0.070	0.011	96.265	0.044	0.044	0.000	0.000	0.000	0.000
489	A	1061	ASN	0	-0.036	-0.021	98.439	-0.003	-0.003	0.000	0.000	0.000	0.000
490	A	1062	PRO	0	0.030	0.017	97.660	0.038	0.038	0.000	0.000	0.000	0.000
491	A	1063	LYS	1	0.949	0.972	91.906	-3.537	-3.537	0.000	0.000	0.000	0.000
492	A	1064	ARG	1	0.925	0.976	96.269	-3.343	-3.343	0.000	0.000	0.000	0.000
493	A	1065	SER	0	0.007	-0.011	99.474	0.021	0.021	0.000	0.000	0.000	0.000
494	A	1066	GLU	-1	-0.897	-0.939	100.810	3.145	3.145	0.000	0.000	0.000	0.000
495	A	1067	PRO	0	-0.019	-0.014	95.677	0.018	0.018	0.000	0.000	0.000	0.000
496	A	1068	ASP	-1	-0.865	-0.957	93.845	3.414	3.414	0.000	0.000	0.000	0.000
497	A	1069	LEU	0	0.012	0.000	94.081	0.043	0.043	0.000	0.000	0.000	0.000
498	A	1070	ASN	0	-0.081	-0.024	92.353	0.059	0.059	0.000	0.000	0.000	0.000
499	A	1071	ILE	0	0.021	0.015	88.788	0.030	0.030	0.000	0.000	0.000	0.000
500	A	1072	LEU	0	0.004	-0.002	89.525	0.037	0.037	0.000	0.000	0.000	0.000
501	A	1073	LYS	1	0.887	0.966	90.647	-3.469	-3.469	0.000	0.000	0.000	0.000
502	A	1074	ASP	-1	-0.947	-0.963	84.830	3.838	3.838	0.000	0.000	0.000	0.000
503	A	1075	LEU	0	0.057	0.009	85.473	0.022	0.022	0.000	0.000	0.000	0.000
504	A	1076	ILE	0	-0.083	-0.041	88.114	0.003	0.003	0.000	0.000	0.000	0.000
505	A	1077	ASP	-1	-0.806	-0.884	89.950	3.481	3.481	0.000	0.000	0.000	0.000
506	A	1078	SER	0	0.029	0.040	83.736	0.038	0.038	0.000	0.000	0.000	0.000
507	A	1079	ASN	0	-0.006	-0.023	83.464	-0.069	-0.069	0.000	0.000	0.000	0.000
508	A	1080	TYR	0	0.005	0.011	77.237	0.022	0.022	0.000	0.000	0.000	0.000
509	A	1081	VAL	0	-0.005	-0.012	81.323	-0.060	-0.060	0.000	0.000	0.000	0.000
510	A	1082	VAL	0	-0.015	0.002	83.387	0.022	0.022	0.000	0.000	0.000	0.000
511	A	1083	PHE	0	0.016	-0.018	86.052	0.005	0.005	0.000	0.000	0.000	0.000
512	A	1084	ASP	-1	-0.799	-0.900	83.047	3.886	3.886	0.000	0.000	0.000	0.000
513	A	1085	VAL	0	0.028	0.018	81.429	0.005	0.005	0.000	0.000	0.000	0.000
514	A	1086	LEU	0	-0.054	-0.035	84.696	-0.013	-0.013	0.000	0.000	0.000	0.000
515	A	1087	LEU	0	0.011	0.000	88.014	-0.022	-0.022	0.000	0.000	0.000	0.000
516	A	1088	GLN	0	0.033	0.020	83.609	-0.009	-0.009	0.000	0.000	0.000	0.000
517	A	1089	PHE	0	-0.058	-0.037	84.435	-0.018	-0.018	0.000	0.000	0.000	0.000
518	A	1090	LEU	0	-0.043	-0.022	90.254	-0.024	-0.024	0.000	0.000	0.000	0.000
519	A	1091	THR	0	0.037	0.028	91.646	-0.038	-0.038	0.000	0.000	0.000	0.000
520	A	1092	HIS	0	-0.073	-0.028	87.445	0.000	0.000	0.000	0.000	0.000	0.000
521	A	1093	GLN	0	0.021	0.002	90.804	-0.055	-0.055	0.000	0.000	0.000	0.000
522	A	1094	ASP	-1	-0.897	-0.948	92.364	3.424	3.424	0.000	0.000	0.000	0.000
523	A	1095	PRO	0	0.106	0.037	94.165	0.014	0.014	0.000	0.000	0.000	0.000
524	A	1096	VAL	0	-0.032	-0.017	95.329	-0.015	-0.015	0.000	0.000	0.000	0.000
525	A	1097	VAL	0	-0.031	-0.014	90.299	0.011	0.011	0.000	0.000	0.000	0.000
526	A	1098	THR	0	0.037	0.022	93.464	0.017	0.017	0.000	0.000	0.000	0.000
527	A	1099	ALA	0	0.021	0.017	95.274	-0.008	-0.008	0.000	0.000	0.000	0.000
528	A	1100	ALA	0	0.005	-0.001	93.149	-0.010	-0.010	0.000	0.000	0.000	0.000
529	A	1101	ALA	0	0.025	0.019	92.042	0.004	0.004	0.000	0.000	0.000	0.000
530	A	1102	ALA	0	0.075	0.038	93.267	0.004	0.004	0.000	0.000	0.000	0.000
531	A	1103	GLN	0	0.038	0.025	96.089	-0.004	-0.004	0.000	0.000	0.000	0.000
532	A	1104	VAL	0	-0.019	-0.014	90.322	-0.005	-0.005	0.000	0.000	0.000	0.000
533	A	1105	TYR	0	-0.039	-0.088	92.623	0.018	0.018	0.000	0.000	0.000	0.000
534	A	1106	ILE	0	0.055	0.024	94.468	0.000	0.000	0.000	0.000	0.000	0.000
535	A	1107	ARG	1	0.878	0.930	95.912	-3.262	-3.262	0.000	0.000	0.000	0.000
536	A	1108	ARG	1	0.829	0.937	86.939	-3.669	-3.669	0.000	0.000	0.000	0.000
537	A	1109	ALA	0	-0.016	-0.003	94.331	0.011	0.011	0.000	0.000	0.000	0.000
538	A	1110	TYR	0	0.003	-0.023	95.941	-0.023	-0.023	0.000	0.000	0.000	0.000
539	A	1111	ARG	1	0.862	0.916	94.092	-3.432	-3.432	0.000	0.000	0.000	0.000
540	A	1112	ALA	0	-0.020	-0.016	97.474	-0.007	-0.007	0.000	0.000	0.000	0.000
541	A	1113	TYR	0	-0.065	-0.019	99.044	-0.022	-0.022	0.000	0.000	0.000	0.000
542	A	1114	THR	0	0.042	0.019	102.157	0.013	0.013	0.000	0.000	0.000	0.000
543	A	1115	ILE	0	-0.021	-0.026	99.952	-0.011	-0.011	0.000	0.000	0.000	0.000
544	A	1116	GLY	0	-0.009	-0.002	104.512	-0.014	-0.014	0.000	0.000	0.000	0.000
545	A	1117	ASP	-1	-0.927	-0.966	105.998	3.003	3.003	0.000	0.000	0.000	0.000
546	A	1118	ILE	0	-0.055	-0.051	100.886	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	1119	ARG	1	0.902	0.980	104.804	-2.972	-2.972	0.000	0.000	0.000	0.000
548	A	1120	VAL	0	0.018	-0.001	102.308	0.021	0.021	0.000	0.000	0.000	0.000
549	A	1121	HIS	0	-0.006	-0.003	105.377	-0.018	-0.018	0.000	0.000	0.000	0.000
550	A	1122	GLU	-1	-0.923	-0.965	103.446	3.176	3.176	0.000	0.000	0.000	0.000
551	A	1123	GLY	0	0.010	0.007	106.742	-0.019	-0.019	0.000	0.000	0.000	0.000
552	A	1124	VAL	0	-0.061	-0.048	102.910	0.023	0.023	0.000	0.000	0.000	0.000
553	A	1125	THR	0	-0.045	-0.019	101.848	0.029	0.029	0.000	0.000	0.000	0.000
554	A	1126	VAL	0	0.021	0.013	101.242	0.029	0.029	0.000	0.000	0.000	0.000
555	A	1127	PRO	0	-0.019	0.005	99.438	-0.027	-0.027	0.000	0.000	0.000	0.000
556	A	1128	ILE	0	0.027	0.017	102.341	0.010	0.010	0.000	0.000	0.000	0.000
557	A	1129	VAL	0	-0.044	-0.012	100.425	-0.018	-0.018	0.000	0.000	0.000	0.000
558	A	1130	GLU	-1	-0.776	-0.883	103.673	2.956	2.956	0.000	0.000	0.000	0.000
559	A	1131	TRP	0	-0.076	-0.042	102.057	0.010	0.010	0.000	0.000	0.000	0.000
560	A	1132	LYS	1	0.920	0.959	105.850	-2.927	-2.927	0.000	0.000	0.000	0.000
561	A	1133	PHE	0	-0.019	-0.018	105.014	0.034	0.034	0.000	0.000	0.000	0.000
562	A	1134	GLN	0	0.018	0.009	106.718	-0.050	-0.050	0.000	0.000	0.000	0.000
563	A	1135	LEU	0	-0.012	-0.017	104.893	0.027	0.027	0.000	0.000	0.000	0.000
564	A	1136	PRO	0	0.043	0.023	102.932	-0.021	-0.021	0.000	0.000	0.000	0.000
565	A	1137	SER	0	-0.085	-0.038	105.515	-0.010	-0.010	0.000	0.000	0.000	0.000
566	A	1138	ALA	0	0.037	0.031	108.526	-0.027	-0.027	0.000	0.000	0.000	0.000
567	A	1154	ARG	1	0.873	0.928	89.877	-3.554	-3.554	0.000	0.000	0.000	0.000
568	A	1155	ALA	0	0.033	0.003	93.511	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	1156	VAL	0	-0.034	0.005	95.367	0.015	0.015	0.000	0.000	0.000	0.000
570	A	1157	SER	0	0.022	0.024	96.365	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	1158	VAL	0	0.032	0.014	97.634	-0.026	-0.026	0.000	0.000	0.000	0.000
572	A	1159	SER	0	-0.002	-0.015	99.842	-0.023	-0.023	0.000	0.000	0.000	0.000
573	A	1160	ASP	-1	-0.930	-0.942	98.134	3.278	3.278	0.000	0.000	0.000	0.000
574	A	1161	LEU	0	-0.079	-0.031	101.671	-0.024	-0.024	0.000	0.000	0.000	0.000
575	A	1171	PRO	0	0.015	-0.018	116.717	-0.009	-0.009	0.000	0.000	0.000	0.000
576	A	1172	LEU	0	-0.072	-0.005	109.782	0.017	0.017	0.000	0.000	0.000	0.000
577	A	1173	ARG	1	0.877	0.951	106.519	-3.014	-3.014	0.000	0.000	0.000	0.000
578	A	1174	GLU	-1	-0.812	-0.921	108.509	2.932	2.932	0.000	0.000	0.000	0.000
579	A	1175	GLY	0	0.008	-0.009	105.613	0.000	0.000	0.000	0.000	0.000	0.000
580	A	1176	ILE	0	0.064	0.045	105.222	-0.004	-0.004	0.000	0.000	0.000	0.000
581	A	1177	LEU	0	-0.059	-0.026	97.645	0.025	0.025	0.000	0.000	0.000	0.000
582	A	1178	MET	0	0.004	0.012	101.123	-0.021	-0.021	0.000	0.000	0.000	0.000
583	A	1179	ALA	0	-0.022	-0.017	96.650	0.031	0.031	0.000	0.000	0.000	0.000
584	A	1180	VAL	0	0.008	0.011	97.085	-0.024	-0.024	0.000	0.000	0.000	0.000
585	A	1181	ASP	-1	-0.877	-0.939	94.505	3.472	3.472	0.000	0.000	0.000	0.000
586	A	1182	HIS	0	-0.072	-0.044	94.058	0.027	0.027	0.000	0.000	0.000	0.000
587	A	1183	LEU	0	-0.026	-0.018	96.167	-0.033	-0.033	0.000	0.000	0.000	0.000
588	A	1184	ASP	-1	-0.871	-0.933	98.117	3.245	3.245	0.000	0.000	0.000	0.000
589	A	1185	ASP	-1	-0.832	-0.925	99.007	3.262	3.262	0.000	0.000	0.000	0.000
590	A	1186	VAL	0	-0.073	-0.043	100.443	-0.028	-0.028	0.000	0.000	0.000	0.000
591	A	1187	ASP	-1	-0.902	-0.958	103.077	3.075	3.075	0.000	0.000	0.000	0.000
592	A	1188	GLU	-1	-0.943	-0.971	106.118	2.957	2.957	0.000	0.000	0.000	0.000
593	A	1189	ILE	0	-0.019	0.000	102.729	-0.025	-0.025	0.000	0.000	0.000	0.000
594	A	1190	LEU	0	-0.030	0.020	105.762	-0.022	-0.022	0.000	0.000	0.000	0.000
595	A	1191	SER	0	0.018	0.012	107.661	-0.021	-0.021	0.000	0.000	0.000	0.000
596	A	1192	GLN	0	0.044	0.035	110.003	-0.037	-0.037	0.000	0.000	0.000	0.000
597	A	1193	SER	0	-0.037	-0.088	107.582	-0.005	-0.005	0.000	0.000	0.000	0.000
598	A	1194	LEU	0	-0.068	-0.043	109.058	0.003	0.003	0.000	0.000	0.000	0.000
599	A	1195	GLU	-1	-0.933	-0.962	111.332	2.794	2.794	0.000	0.000	0.000	0.000
600	A	1196	VAL	0	-0.096	-0.024	109.851	-0.015	-0.015	0.000	0.000	0.000	0.000
601	A	1197	ILE	0	-0.081	-0.019	111.745	-0.027	-0.027	0.000	0.000	0.000	0.000
602	A	1218	LEU	0	-0.030	-0.017	112.128	-0.008	-0.008	0.000	0.000	0.000	0.000
603	A	1219	SER	0	-0.063	-0.042	111.358	0.009	0.009	0.000	0.000	0.000	0.000
604	A	1220	ASN	0	0.060	0.047	109.700	0.036	0.036	0.000	0.000	0.000	0.000
605	A	1221	VAL	0	-0.087	-0.042	103.635	0.007	0.007	0.000	0.000	0.000	0.000
606	A	1222	ALA	0	0.053	0.033	104.553	-0.012	-0.012	0.000	0.000	0.000	0.000
607	A	1223	ASN	0	-0.049	-0.056	99.091	0.004	0.004	0.000	0.000	0.000	0.000
608	A	1224	VAL	0	0.090	0.066	99.177	-0.006	-0.006	0.000	0.000	0.000	0.000
609	A	1225	CYS	0	-0.080	-0.027	93.974	0.038	0.038	0.000	0.000	0.000	0.000
610	A	1226	VAL	0	0.029	0.014	94.531	-0.017	-0.017	0.000	0.000	0.000	0.000
611	A	1227	ALA	0	-0.005	-0.002	91.323	0.040	0.040	0.000	0.000	0.000	0.000
612	A	1228	SER	0	-0.002	0.001	90.438	0.051	0.051	0.000	0.000	0.000	0.000
613	A	1229	THR	0	0.022	-0.002	91.237	-0.037	-0.037	0.000	0.000	0.000	0.000
614	A	1230	GLU	-1	-0.980	-0.992	89.138	3.648	3.648	0.000	0.000	0.000	0.000
615	A	1231	GLY	0	0.016	0.007	91.263	-0.041	-0.041	0.000	0.000	0.000	0.000
616	A	1232	PHE	0	-0.015	-0.001	92.870	-0.025	-0.025	0.000	0.000	0.000	0.000
617	A	1233	GLU	-1	-0.946	-0.947	90.797	3.627	3.627	0.000	0.000	0.000	0.000
618	A	1234	SER	0	-0.061	-0.039	89.789	0.041	0.041	0.000	0.000	0.000	0.000
619	A	1235	GLU	-1	-0.901	-0.969	90.942	3.545	3.545	0.000	0.000	0.000	0.000
620	A	1236	GLU	-1	-0.938	-0.981	92.539	3.306	3.306	0.000	0.000	0.000	0.000
621	A	1237	GLU	-1	-0.875	-0.950	94.913	3.386	3.386	0.000	0.000	0.000	0.000
622	A	1238	ILE	0	0.013	0.006	92.447	-0.038	-0.038	0.000	0.000	0.000	0.000
623	A	1239	LEU	0	-0.008	-0.015	96.596	-0.036	-0.036	0.000	0.000	0.000	0.000
624	A	1240	VAL	0	0.011	0.017	98.946	-0.045	-0.045	0.000	0.000	0.000	0.000
625	A	1241	ARG	1	0.934	0.963	99.855	-3.240	-3.240	0.000	0.000	0.000	0.000
626	A	1242	LEU	0	-0.038	-0.016	98.024	-0.030	-0.030	0.000	0.000	0.000	0.000
627	A	1243	ARG	1	0.791	0.882	102.200	-3.105	-3.105	0.000	0.000	0.000	0.000
628	A	1244	GLU	-1	-0.913	-0.938	104.846	3.066	3.066	0.000	0.000	0.000	0.000
629	A	1245	ILE	0	0.044	0.028	102.572	-0.036	-0.036	0.000	0.000	0.000	0.000
630	A	1246	LEU	0	-0.072	-0.029	104.071	-0.033	-0.033	0.000	0.000	0.000	0.000
631	A	1247	ASP	-1	-0.905	-0.963	107.873	2.935	2.935	0.000	0.000	0.000	0.000
632	A	1248	LEU	0	-0.030	-0.013	109.044	-0.038	-0.038	0.000	0.000	0.000	0.000
633	A	1249	ASN	0	-0.009	-0.015	109.148	-0.043	-0.043	0.000	0.000	0.000	0.000
634	A	1250	LYS	1	0.929	0.983	112.011	-2.902	-2.902	0.000	0.000	0.000	0.000
635	A	1251	GLN	0	-0.021	-0.033	112.943	-0.012	-0.012	0.000	0.000	0.000	0.000
636	A	1252	GLU	-1	-0.831	-0.901	113.161	2.797	2.797	0.000	0.000	0.000	0.000
637	A	1253	LEU	0	-0.023	-0.015	108.249	0.005	0.005	0.000	0.000	0.000	0.000
638	A	1254	ILE	0	-0.042	-0.026	112.255	0.004	0.004	0.000	0.000	0.000	0.000
639	A	1255	ASN	0	-0.002	0.010	115.086	-0.016	-0.016	0.000	0.000	0.000	0.000
640	A	1256	ALA	0	0.073	0.055	112.212	-0.009	-0.009	0.000	0.000	0.000	0.000
641	A	1257	SER	0	-0.123	-0.090	113.443	0.009	0.009	0.000	0.000	0.000	0.000
642	A	1258	ILE	0	0.039	0.020	107.861	0.019	0.019	0.000	0.000	0.000	0.000
643	A	1259	ARG	1	0.868	0.957	107.526	-2.958	-2.958	0.000	0.000	0.000	0.000
644	A	1260	ARG	1	0.887	0.938	100.993	-3.178	-3.178	0.000	0.000	0.000	0.000
645	A	1261	ILE	0	0.093	0.066	103.194	-0.003	-0.003	0.000	0.000	0.000	0.000
646	A	1262	THR	0	-0.057	-0.027	97.516	0.021	0.021	0.000	0.000	0.000	0.000
647	A	1263	PHE	0	0.080	0.056	97.624	-0.009	-0.009	0.000	0.000	0.000	0.000
648	A	1264	MET	0	-0.062	-0.037	93.654	0.034	0.034	0.000	0.000	0.000	0.000
649	A	1265	PHE	0	0.054	0.041	90.939	-0.009	-0.009	0.000	0.000	0.000	0.000
650	A	1266	GLY	0	0.027	0.002	88.329	0.032	0.032	0.000	0.000	0.000	0.000
651	A	1267	PHE	0	0.007	0.006	84.137	-0.019	-0.019	0.000	0.000	0.000	0.000
652	A	1268	LYS	1	0.967	0.985	82.701	-3.757	-3.757	0.000	0.000	0.000	0.000
653	A	1269	ASP	-1	-0.869	-0.911	78.619	4.062	4.062	0.000	0.000	0.000	0.000
654	A	1270	GLY	0	-0.021	-0.027	78.130	-0.026	-0.026	0.000	0.000	0.000	0.000
655	A	1271	SER	0	-0.024	-0.025	79.060	-0.031	-0.031	0.000	0.000	0.000	0.000
656	A	1272	TYR	0	-0.063	-0.019	81.630	0.001	0.001	0.000	0.000	0.000	0.000
657	A	1273	PRO	0	0.023	0.012	84.196	-0.005	-0.005	0.000	0.000	0.000	0.000
658	A	1274	LYS	1	0.925	0.971	86.721	-3.701	-3.701	0.000	0.000	0.000	0.000
659	A	1275	TYR	0	0.006	0.003	90.263	-0.005	-0.005	0.000	0.000	0.000	0.000
660	A	1276	TYR	0	0.045	0.017	92.317	0.021	0.021	0.000	0.000	0.000	0.000
661	A	1277	THR	0	-0.005	-0.017	97.050	-0.014	-0.014	0.000	0.000	0.000	0.000
662	A	1278	PHE	0	0.008	0.000	99.957	-0.005	-0.005	0.000	0.000	0.000	0.000
663	A	1279	ASN	0	-0.034	-0.032	103.520	0.002	0.002	0.000	0.000	0.000	0.000
664	A	1280	GLY	0	-0.018	0.001	106.090	-0.011	-0.011	0.000	0.000	0.000	0.000
665	A	1281	PRO	0	0.059	0.031	109.808	0.004	0.004	0.000	0.000	0.000	0.000
666	A	1282	ASN	0	0.006	-0.010	111.035	-0.010	-0.010	0.000	0.000	0.000	0.000
667	A	1283	TYR	0	0.007	-0.012	107.251	0.011	0.011	0.000	0.000	0.000	0.000
668	A	1284	ASN	0	0.023	0.016	105.405	0.021	0.021	0.000	0.000	0.000	0.000
669	A	1285	GLU	-1	-0.747	-0.855	97.243	3.345	3.345	0.000	0.000	0.000	0.000
670	A	1286	ASN	0	-0.064	-0.014	100.287	0.008	0.008	0.000	0.000	0.000	0.000
671	A	1287	GLU	-1	-0.866	-0.951	96.832	3.346	3.346	0.000	0.000	0.000	0.000
672	A	1288	THR	0	-0.119	-0.064	95.833	0.035	0.035	0.000	0.000	0.000	0.000
673	A	1289	ILE	0	-0.077	-0.045	95.090	0.035	0.035	0.000	0.000	0.000	0.000
674	A	1290	ARG	1	0.905	0.938	92.936	-3.437	-3.437	0.000	0.000	0.000	0.000
675	A	1291	HIS	0	-0.051	-0.036	89.524	0.034	0.034	0.000	0.000	0.000	0.000
676	A	1292	ILE	0	-0.041	-0.025	90.504	0.043	0.043	0.000	0.000	0.000	0.000
677	A	1293	GLU	-1	-0.779	-0.828	92.805	3.295	3.295	0.000	0.000	0.000	0.000
678	A	1294	PRO	0	0.051	0.015	95.289	0.001	0.001	0.000	0.000	0.000	0.000
679	A	1295	ALA	0	-0.029	-0.012	97.754	-0.009	-0.009	0.000	0.000	0.000	0.000
680	A	1296	LEU	0	-0.003	-0.015	91.359	0.004	0.004	0.000	0.000	0.000	0.000
681	A	1297	ALA	0	0.025	0.014	94.894	0.015	0.015	0.000	0.000	0.000	0.000
682	A	1298	PHE	0	-0.037	-0.020	95.908	-0.009	-0.009	0.000	0.000	0.000	0.000
683	A	1299	GLN	0	-0.012	-0.011	95.074	0.018	0.018	0.000	0.000	0.000	0.000
684	A	1300	LEU	0	-0.002	0.017	90.808	0.024	0.024	0.000	0.000	0.000	0.000
685	A	1301	GLU	-1	-0.787	-0.865	94.413	3.300	3.300	0.000	0.000	0.000	0.000
686	A	1302	LEU	0	0.050	0.027	92.804	-0.009	-0.009	0.000	0.000	0.000	0.000
687	A	1303	GLY	0	-0.012	0.001	96.606	-0.007	-0.007	0.000	0.000	0.000	0.000
688	A	1304	ARG	1	0.828	0.913	97.875	-3.305	-3.305	0.000	0.000	0.000	0.000
689	A	1305	LEU	0	0.018	0.004	93.249	0.002	0.002	0.000	0.000	0.000	0.000
690	A	1306	SER	0	0.025	0.013	97.281	0.006	0.006	0.000	0.000	0.000	0.000
691	A	1307	ASN	0	-0.030	-0.017	99.686	-0.032	-0.032	0.000	0.000	0.000	0.000
692	A	1308	PHE	0	-0.056	-0.034	94.207	0.005	0.005	0.000	0.000	0.000	0.000
693	A	1309	ASN	0	-0.020	-0.009	95.088	-0.050	-0.050	0.000	0.000	0.000	0.000
694	A	1310	ILE	0	-0.005	-0.005	92.315	0.041	0.041	0.000	0.000	0.000	0.000
695	A	1311	LYS	1	0.997	0.998	86.778	-3.725	-3.725	0.000	0.000	0.000	0.000
696	A	1312	PRO	0	-0.007	-0.002	88.129	0.028	0.028	0.000	0.000	0.000	0.000
697	A	1313	ILE	0	-0.028	-0.008	81.965	0.015	0.015	0.000	0.000	0.000	0.000
698	A	1314	PHE	0	-0.022	-0.006	82.206	0.009	0.009	0.000	0.000	0.000	0.000
699	A	1315	THR	0	0.002	-0.008	78.595	0.018	0.018	0.000	0.000	0.000	0.000
700	A	1316	ASP	-1	-0.924	-0.950	73.257	4.340	4.340	0.000	0.000	0.000	0.000
701	A	1317	ASN	0	-0.040	-0.016	76.888	-0.063	-0.063	0.000	0.000	0.000	0.000
702	A	1318	ARG	1	0.870	0.928	78.988	-4.042	-4.042	0.000	0.000	0.000	0.000
703	A	1319	ASN	0	-0.016	-0.016	80.512	-0.080	-0.080	0.000	0.000	0.000	0.000
704	A	1320	ILE	0	-0.038	-0.002	80.149	-0.053	-0.053	0.000	0.000	0.000	0.000
705	A	1321	HIS	1	0.917	0.953	84.286	-3.685	-3.685	0.000	0.000	0.000	0.000
706	A	1322	VAL	0	0.065	0.032	82.453	-0.039	-0.039	0.000	0.000	0.000	0.000
707	A	1323	TYR	0	0.001	-0.007	85.790	-0.006	-0.006	0.000	0.000	0.000	0.000
708	A	1324	GLU	-1	-0.913	-0.938	85.699	3.743	3.743	0.000	0.000	0.000	0.000
709	A	1325	ALA	0	-0.019	-0.023	88.080	-0.042	-0.042	0.000	0.000	0.000	0.000
710	A	1326	VAL	0	0.005	0.006	90.503	0.021	0.021	0.000	0.000	0.000	0.000
711	A	1327	SER	0	-0.022	0.005	92.900	-0.048	-0.048	0.000	0.000	0.000	0.000
712	A	1328	LYS	1	0.910	0.956	96.179	-3.204	-3.204	0.000	0.000	0.000	0.000
713	A	1329	THR	0	-0.051	-0.017	98.805	-0.028	-0.028	0.000	0.000	0.000	0.000
714	A	1330	SER	0	0.038	0.004	95.624	0.003	0.003	0.000	0.000	0.000	0.000
715	A	1331	PRO	0	0.048	0.009	92.619	0.018	0.018	0.000	0.000	0.000	0.000
716	A	1332	LEU	0	0.000	0.000	90.136	0.048	0.048	0.000	0.000	0.000	0.000
717	A	1333	ASP	-1	-0.861	-0.922	90.474	3.499	3.499	0.000	0.000	0.000	0.000
718	A	1334	LYS	1	0.976	0.998	83.988	-3.847	-3.847	0.000	0.000	0.000	0.000
719	A	1335	ARG	1	0.820	0.902	87.947	-3.447	-3.447	0.000	0.000	0.000	0.000
720	A	1336	PHE	0	0.060	0.013	83.674	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	1337	PHE	0	-0.025	-0.005	86.876	0.004	0.004	0.000	0.000	0.000	0.000
722	A	1338	THR	0	0.039	0.024	83.504	0.026	0.026	0.000	0.000	0.000	0.000
723	A	1339	ARG	1	0.799	0.881	86.654	-3.512	-3.512	0.000	0.000	0.000	0.000
724	A	1340	GLY	0	0.033	0.003	87.114	0.024	0.024	0.000	0.000	0.000	0.000
725	A	1341	ILE	0	-0.036	-0.010	88.046	-0.030	-0.030	0.000	0.000	0.000	0.000
726	A	1342	ILE	0	-0.014	0.004	86.105	0.047	0.047	0.000	0.000	0.000	0.000
727	A	1343	ARG	1	0.933	0.973	88.500	-3.644	-3.644	0.000	0.000	0.000	0.000
728	A	1344	THR	0	0.007	-0.018	88.511	0.031	0.031	0.000	0.000	0.000	0.000
729	A	1345	GLY	0	0.030	0.039	88.676	-0.037	-0.037	0.000	0.000	0.000	0.000
730	A	1346	HIS	0	-0.022	-0.027	87.388	-0.072	-0.072	0.000	0.000	0.000	0.000
731	A	1347	ILE	0	-0.002	0.007	87.365	0.043	0.043	0.000	0.000	0.000	0.000
732	A	1348	ARG	1	0.906	0.941	81.648	-3.929	-3.929	0.000	0.000	0.000	0.000
733	A	1349	ASP	-1	-0.874	-0.950	87.333	3.546	3.546	0.000	0.000	0.000	0.000
734	A	1350	ASP	-1	-0.880	-0.926	83.977	3.793	3.793	0.000	0.000	0.000	0.000
735	A	1351	ILE	0	-0.040	0.009	83.422	0.031	0.031	0.000	0.000	0.000	0.000
736	A	1352	SER	0	0.025	0.011	86.302	-0.058	-0.058	0.000	0.000	0.000	0.000
737	A	1353	ILE	0	0.037	0.000	88.394	0.036	0.036	0.000	0.000	0.000	0.000
738	A	1354	GLN	0	0.061	0.030	88.424	0.041	0.041	0.000	0.000	0.000	0.000
739	A	1355	GLU	-1	-0.845	-0.923	84.014	3.850	3.850	0.000	0.000	0.000	0.000
740	A	1356	TYR	0	-0.010	-0.008	84.746	0.020	0.020	0.000	0.000	0.000	0.000
741	A	1357	LEU	0	0.033	0.006	85.620	0.034	0.034	0.000	0.000	0.000	0.000
742	A	1358	THR	0	0.009	0.017	82.842	0.023	0.023	0.000	0.000	0.000	0.000
743	A	1359	SER	0	-0.076	-0.037	80.495	0.053	0.053	0.000	0.000	0.000	0.000
744	A	1360	GLU	-1	-0.804	-0.906	81.321	3.922	3.922	0.000	0.000	0.000	0.000
745	A	1361	ALA	0	0.001	-0.009	83.366	0.016	0.016	0.000	0.000	0.000	0.000
746	A	1362	ASN	0	-0.027	-0.032	79.546	0.008	0.008	0.000	0.000	0.000	0.000
747	A	1363	ARG	1	0.844	0.928	78.316	-3.909	-3.909	0.000	0.000	0.000	0.000
748	A	1364	LEU	0	0.017	0.001	79.227	0.033	0.033	0.000	0.000	0.000	0.000
749	A	1365	MET	0	-0.013	0.009	80.858	-0.016	-0.016	0.000	0.000	0.000	0.000
750	A	1366	SER	0	-0.013	0.001	75.136	0.012	0.012	0.000	0.000	0.000	0.000
751	A	1367	ASP	-1	-0.834	-0.891	77.057	4.154	4.154	0.000	0.000	0.000	0.000
752	A	1368	ILE	0	-0.019	-0.019	78.031	0.014	0.014	0.000	0.000	0.000	0.000
753	A	1369	LEU	0	-0.043	-0.031	77.239	0.011	0.011	0.000	0.000	0.000	0.000
754	A	1370	ASP	-1	-0.917	-0.968	74.009	4.387	4.387	0.000	0.000	0.000	0.000
755	A	1371	ASN	0	-0.031	-0.045	74.906	0.014	0.014	0.000	0.000	0.000	0.000
756	A	1372	LEU	0	-0.007	0.001	77.267	-0.014	-0.014	0.000	0.000	0.000	0.000
757	A	1373	GLU	-1	-0.895	-0.954	72.527	4.327	4.327	0.000	0.000	0.000	0.000
758	A	1374	VAL	0	-0.037	-0.005	72.143	0.027	0.027	0.000	0.000	0.000	0.000
759	A	1375	THR	0	-0.053	-0.008	74.355	-0.010	-0.010	0.000	0.000	0.000	0.000
760	A	1376	ASP	-1	-0.795	-0.838	77.276	4.103	4.103	0.000	0.000	0.000	0.000
761	A	1377	THR	0	-0.064	-0.032	78.328	-0.052	-0.052	0.000	0.000	0.000	0.000
762	A	1378	SER	0	-0.063	-0.096	79.196	-0.010	-0.010	0.000	0.000	0.000	0.000
763	A	1379	ASN	0	-0.101	-0.054	80.772	0.016	0.016	0.000	0.000	0.000	0.000
764	A	1380	SER	0	0.002	0.010	82.960	-0.052	-0.052	0.000	0.000	0.000	0.000
765	A	1381	ASP	-1	-0.905	-0.960	85.334	3.670	3.670	0.000	0.000	0.000	0.000
766	A	1382	LEU	0	-0.002	-0.002	86.857	0.015	0.015	0.000	0.000	0.000	0.000
767	A	1383	ASN	0	0.031	0.018	83.716	-0.071	-0.071	0.000	0.000	0.000	0.000
768	A	1384	HIS	0	0.022	0.006	87.339	0.015	0.015	0.000	0.000	0.000	0.000
769	A	1385	ILE	0	0.026	0.016	83.442	0.034	0.034	0.000	0.000	0.000	0.000
770	A	1386	PHE	0	-0.016	-0.003	87.763	-0.031	-0.031	0.000	0.000	0.000	0.000
771	A	1387	ILE	0	0.020	0.015	85.617	0.030	0.030	0.000	0.000	0.000	0.000
772	A	1388	ASN	0	-0.036	-0.041	89.649	-0.043	-0.043	0.000	0.000	0.000	0.000
773	A	1389	PHE	0	0.011	-0.002	87.603	0.020	0.020	0.000	0.000	0.000	0.000
774	A	1390	ILE	0	-0.013	-0.009	92.574	-0.040	-0.040	0.000	0.000	0.000	0.000
775	A	1391	ALA	0	-0.033	-0.004	94.018	-0.036	-0.036	0.000	0.000	0.000	0.000
776	A	1392	VAL	0	-0.036	-0.027	95.712	-0.010	-0.010	0.000	0.000	0.000	0.000
777	A	1393	PHE	0	-0.026	-0.039	91.681	0.014	0.014	0.000	0.000	0.000	0.000
778	A	1394	ASP	-1	-0.970	-0.988	96.867	3.217	3.217	0.000	0.000	0.000	0.000
779	A	1395	ILE	0	-0.025	-0.017	93.008	0.034	0.034	0.000	0.000	0.000	0.000
780	A	1396	SER	0	0.060	0.042	97.088	-0.019	-0.019	0.000	0.000	0.000	0.000
781	A	1397	PRO	0	0.022	-0.025	96.920	0.036	0.036	0.000	0.000	0.000	0.000
782	A	1398	GLU	-1	-0.941	-0.961	96.902	3.254	3.254	0.000	0.000	0.000	0.000
783	A	1399	ASP	-1	-0.851	-0.939	93.198	3.431	3.431	0.000	0.000	0.000	0.000
784	A	1400	VAL	0	-0.051	-0.024	92.115	0.051	0.051	0.000	0.000	0.000	0.000
785	A	1401	GLU	-1	-0.837	-0.922	91.855	3.417	3.417	0.000	0.000	0.000	0.000
786	A	1402	ALA	0	-0.045	-0.008	90.088	0.035	0.035	0.000	0.000	0.000	0.000
787	A	1403	ALA	0	0.004	0.005	87.915	0.049	0.049	0.000	0.000	0.000	0.000
788	A	1404	PHE	0	-0.042	-0.018	86.628	0.054	0.054	0.000	0.000	0.000	0.000
789	A	1405	GLY	0	0.041	0.018	87.356	-0.006	-0.006	0.000	0.000	0.000	0.000
790	A	1406	GLY	0	-0.001	-0.020	83.359	0.032	0.032	0.000	0.000	0.000	0.000
791	A	1407	PHE	0	0.040	0.016	82.216	0.060	0.060	0.000	0.000	0.000	0.000
792	A	1408	LEU	0	-0.007	-0.022	82.357	0.046	0.046	0.000	0.000	0.000	0.000
793	A	1409	GLU	-1	-0.976	-0.965	79.042	4.051	4.051	0.000	0.000	0.000	0.000
794	A	1410	ARG	1	0.941	0.978	76.175	-4.114	-4.114	0.000	0.000	0.000	0.000
795	A	1411	PHE	0	0.012	-0.001	77.310	0.069	0.069	0.000	0.000	0.000	0.000
796	A	1412	GLY	0	0.042	0.031	79.275	0.011	0.011	0.000	0.000	0.000	0.000
797	A	1413	LYS	1	0.950	0.959	72.593	-4.361	-4.361	0.000	0.000	0.000	0.000
798	A	1414	ARG	1	0.812	0.902	74.146	-4.293	-4.293	0.000	0.000	0.000	0.000
799	A	1415	LEU	0	0.076	0.040	77.121	-0.007	-0.007	0.000	0.000	0.000	0.000
800	A	1416	LEU	0	-0.015	-0.001	79.637	-0.021	-0.021	0.000	0.000	0.000	0.000
801	A	1417	ARG	1	0.848	0.922	71.492	-4.387	-4.387	0.000	0.000	0.000	0.000
802	A	1418	LEU	0	0.038	0.026	77.152	0.002	0.002	0.000	0.000	0.000	0.000
803	A	1419	ARG	1	0.923	0.977	79.893	-3.985	-3.985	0.000	0.000	0.000	0.000
804	A	1420	VAL	0	-0.005	0.004	82.657	-0.041	-0.041	0.000	0.000	0.000	0.000
805	A	1421	SER	0	-0.034	-0.006	84.961	-0.012	-0.012	0.000	0.000	0.000	0.000
806	A	1422	SER	0	-0.034	-0.029	88.090	-0.026	-0.026	0.000	0.000	0.000	0.000
807	A	1423	ALA	0	0.001	0.012	87.431	0.023	0.023	0.000	0.000	0.000	0.000
808	A	1424	GLU	-1	-0.784	-0.847	89.430	3.328	3.328	0.000	0.000	0.000	0.000
809	A	1425	ILE	0	0.013	0.014	88.328	0.025	0.025	0.000	0.000	0.000	0.000
810	A	1426	ARG	1	0.838	0.915	92.227	-3.310	-3.310	0.000	0.000	0.000	0.000
811	A	1427	ILE	0	0.036	0.020	92.815	0.033	0.033	0.000	0.000	0.000	0.000
812	A	1428	ILE	0	-0.006	0.012	95.883	-0.041	-0.041	0.000	0.000	0.000	0.000
813	A	1429	ILE	0	0.042	0.033	97.678	0.033	0.033	0.000	0.000	0.000	0.000
814	A	1430	LYS	1	0.955	0.973	99.753	-3.259	-3.259	0.000	0.000	0.000	0.000
815	A	1431	ASP	-1	-0.694	-0.742	102.512	3.006	3.006	0.000	0.000	0.000	0.000
816	A	1432	PRO	0	0.009	0.030	103.904	-0.013	-0.013	0.000	0.000	0.000	0.000
817	A	1433	GLN	0	-0.104	-0.081	105.699	-0.035	-0.035	0.000	0.000	0.000	0.000
818	A	1434	THR	0	-0.141	-0.131	108.878	-0.008	-0.008	0.000	0.000	0.000	0.000
819	A	1435	GLY	0	0.015	-0.019	105.957	-0.008	-0.008	0.000	0.000	0.000	0.000
820	A	1436	ALA	0	-0.070	-0.040	106.220	0.014	0.014	0.000	0.000	0.000	0.000
821	A	1437	PRO	0	-0.003	0.013	103.362	0.022	0.022	0.000	0.000	0.000	0.000
822	A	1438	VAL	0	0.016	-0.007	103.115	-0.031	-0.031	0.000	0.000	0.000	0.000
823	A	1439	PRO	0	-0.048	-0.023	100.931	0.035	0.035	0.000	0.000	0.000	0.000
824	A	1440	LEU	0	0.008	0.006	97.599	-0.026	-0.026	0.000	0.000	0.000	0.000
825	A	1441	ARG	1	0.725	0.819	96.860	-3.269	-3.269	0.000	0.000	0.000	0.000
826	A	1442	ALA	0	0.044	0.024	93.237	-0.021	-0.021	0.000	0.000	0.000	0.000
827	A	1443	LEU	0	-0.039	-0.012	93.634	0.029	0.029	0.000	0.000	0.000	0.000
828	A	1444	ILE	0	0.012	0.002	87.973	-0.005	-0.005	0.000	0.000	0.000	0.000
829	A	1445	ASN	0	0.034	0.003	90.413	0.013	0.013	0.000	0.000	0.000	0.000
830	A	1446	ASN	0	-0.008	-0.003	82.897	0.001	0.001	0.000	0.000	0.000	0.000
831	A	1447	VAL	0	0.032	0.016	87.389	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	1448	SER	0	-0.015	-0.022	82.817	0.021	0.021	0.000	0.000	0.000	0.000
833	A	1449	GLY	0	-0.003	0.002	83.972	-0.018	-0.018	0.000	0.000	0.000	0.000
834	A	1450	TYR	0	-0.029	-0.003	84.848	-0.038	-0.038	0.000	0.000	0.000	0.000
835	A	1451	VAL	0	0.004	-0.003	85.922	0.027	0.027	0.000	0.000	0.000	0.000
836	A	1452	ILE	0	-0.013	0.001	88.549	-0.039	-0.039	0.000	0.000	0.000	0.000
837	A	1453	LYS	1	0.830	0.910	91.036	-3.345	-3.345	0.000	0.000	0.000	0.000
838	A	1454	THR	0	0.000	0.008	91.013	-0.010	-0.010	0.000	0.000	0.000	0.000
839	A	1455	GLU	-1	-0.826	-0.899	93.699	3.252	3.252	0.000	0.000	0.000	0.000
840	A	1456	MET	0	0.018	0.019	96.204	0.018	0.018	0.000	0.000	0.000	0.000
841	A	1457	TYR	0	-0.068	-0.064	98.619	-0.055	-0.055	0.000	0.000	0.000	0.000
842	A	1458	THR	0	0.030	0.014	101.106	0.021	0.021	0.000	0.000	0.000	0.000
843	A	1459	GLU	-1	-0.808	-0.907	101.062	3.176	3.176	0.000	0.000	0.000	0.000
844	A	1460	VAL	0	-0.022	-0.040	105.174	-0.015	-0.015	0.000	0.000	0.000	0.000
845	A	1461	LYS	1	0.963	1.008	108.915	-2.855	-2.855	0.000	0.000	0.000	0.000
846	A	1462	ASN	0	0.036	0.016	111.642	-0.034	-0.034	0.000	0.000	0.000	0.000
847	A	1463	ALA	0	0.047	-0.005	114.581	-0.004	-0.004	0.000	0.000	0.000	0.000
848	A	1464	LYS	1	0.919	0.965	116.419	-2.725	-2.725	0.000	0.000	0.000	0.000
849	A	1465	GLY	0	-0.031	-0.008	115.010	-0.005	-0.005	0.000	0.000	0.000	0.000
850	A	1466	GLU	-1	-0.931	-0.982	111.878	2.891	2.891	0.000	0.000	0.000	0.000
851	A	1467	TRP	0	-0.038	0.004	106.984	-0.005	-0.005	0.000	0.000	0.000	0.000
852	A	1468	VAL	0	-0.016	-0.011	107.564	0.010	0.010	0.000	0.000	0.000	0.000
853	A	1469	PHE	0	0.000	0.023	100.897	0.005	0.005	0.000	0.000	0.000	0.000
854	A	1470	LYS	1	0.990	0.981	104.845	-2.982	-2.982	0.000	0.000	0.000	0.000
855	A	1471	SER	0	0.001	0.011	102.419	0.011	0.011	0.000	0.000	0.000	0.000
856	A	1472	LEU	0	-0.022	0.007	100.620	-0.028	-0.028	0.000	0.000	0.000	0.000
857	A	1473	GLY	0	-0.023	-0.011	102.163	-0.021	-0.021	0.000	0.000	0.000	0.000
858	A	1474	LYS	1	0.931	0.963	99.157	-3.260	-3.260	0.000	0.000	0.000	0.000
859	A	1475	PRO	0	0.006	-0.008	103.085	0.014	0.014	0.000	0.000	0.000	0.000
860	A	1476	GLY	0	0.096	0.060	101.486	0.026	0.026	0.000	0.000	0.000	0.000
861	A	1477	SER	0	-0.040	-0.020	99.177	-0.030	-0.030	0.000	0.000	0.000	0.000
862	A	1478	MET	0	-0.084	-0.058	100.329	-0.018	-0.018	0.000	0.000	0.000	0.000
863	A	1479	HIS	0	0.048	0.024	103.250	0.015	0.015	0.000	0.000	0.000	0.000
864	A	1480	LEU	0	0.010	0.001	105.831	-0.004	-0.004	0.000	0.000	0.000	0.000
865	A	1481	ARG	1	0.932	0.982	104.272	-3.098	-3.098	0.000	0.000	0.000	0.000
866	A	1482	PRO	0	0.099	0.046	106.714	0.016	0.016	0.000	0.000	0.000	0.000
867	A	1483	ILE	0	0.014	0.036	103.095	0.022	0.022	0.000	0.000	0.000	0.000
868	A	1484	ALA	0	-0.017	-0.002	102.445	0.030	0.030	0.000	0.000	0.000	0.000
869	A	1485	THR	0	-0.088	-0.087	102.825	-0.005	-0.005	0.000	0.000	0.000	0.000
870	A	1486	PRO	0	0.010	0.010	100.775	0.032	0.032	0.000	0.000	0.000	0.000
871	A	1487	TYR	0	-0.059	-0.040	95.172	-0.007	-0.007	0.000	0.000	0.000	0.000
872	A	1488	PRO	0	-0.005	-0.001	98.141	-0.006	-0.006	0.000	0.000	0.000	0.000
873	A	1489	VAL	0	0.003	0.008	97.058	0.044	0.044	0.000	0.000	0.000	0.000
874	A	1490	LYS	1	0.848	0.925	90.827	-3.550	-3.550	0.000	0.000	0.000	0.000
875	A	1491	GLU	-1	-0.913	-0.951	97.181	3.154	3.154	0.000	0.000	0.000	0.000
876	A	1492	TRP	0	-0.048	-0.043	98.011	0.032	0.032	0.000	0.000	0.000	0.000
877	A	1493	LEU	0	-0.008	0.023	99.827	-0.010	-0.010	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:573:GLU)