FMO DATABASE

FMODB ID: N296Q

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	OptAll
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	-21026496.159806
FMO2-HF: Nuclear repulsion	20684018.133601
FMO2-HF: Total energy	-342478.026205
FMO2-MP2: Total energy	-343488.391791

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.
22.672	25.275	0.35	-1.277	-1.676	-0.004

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 : -0.974 / q_NPA : -0.994

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	-0.005	0.005	2.839	2.259	4.535	0.350	-1.204	-1.422	-0.004
4	A	576	ASP	-1	-0.766	-0.889	5.587	26.277	26.277	0.000	0.000	0.000	0.000
5	A	577	PRO	0	0.014	0.000	7.231	-2.600	-2.600	0.000	0.000	0.000	0.000
6	A	578	THR	0	-0.032	-0.013	9.950	-2.395	-2.395	0.000	0.000	0.000	0.000
7	A	579	LEU	0	-0.015	-0.019	9.939	-1.720	-1.720	0.000	0.000	0.000	0.000
8	A	580	ALA	0	0.020	0.018	9.658	-1.464	-1.464	0.000	0.000	0.000	0.000
9	A	581	VAL	0	0.017	0.014	11.767	-1.497	-1.497	0.000	0.000	0.000	0.000
10	A	582	ILE	0	-0.018	-0.006	14.720	-1.279	-1.279	0.000	0.000	0.000	0.000
11	A	583	CYS	0	-0.047	-0.031	14.115	-0.981	-0.981	0.000	0.000	0.000	0.000
12	A	584	GLY	0	0.028	0.024	15.692	-0.752	-0.752	0.000	0.000	0.000	0.000
13	A	585	ALA	0	-0.004	0.003	17.175	-0.847	-0.847	0.000	0.000	0.000	0.000
14	A	586	ALA	0	0.010	-0.001	19.706	-0.729	-0.729	0.000	0.000	0.000	0.000
15	A	587	THR	0	-0.023	-0.035	17.891	-0.588	-0.588	0.000	0.000	0.000	0.000
16	A	588	LYS	1	0.857	0.928	19.644	-14.146	-14.146	0.000	0.000	0.000	0.000
17	A	589	ALA	0	0.007	0.011	22.803	-0.564	-0.564	0.000	0.000	0.000	0.000
18	A	590	PHE	0	-0.042	-0.024	23.420	-0.424	-0.424	0.000	0.000	0.000	0.000
19	A	591	LEU	0	0.021	0.005	21.394	-0.461	-0.461	0.000	0.000	0.000	0.000
20	A	592	ALA	0	0.042	0.030	25.651	-0.413	-0.413	0.000	0.000	0.000	0.000
21	A	593	SER	0	-0.048	-0.024	28.489	-0.414	-0.414	0.000	0.000	0.000	0.000
22	A	594	GLU	-1	-0.795	-0.865	27.342	9.571	9.571	0.000	0.000	0.000	0.000
23	A	595	GLU	-1	-0.950	-0.969	29.535	9.469	9.469	0.000	0.000	0.000	0.000
24	A	596	ALA	0	-0.025	-0.013	31.262	-0.330	-0.330	0.000	0.000	0.000	0.000
25	A	597	ARG	1	0.753	0.850	30.540	-9.572	-9.572	0.000	0.000	0.000	0.000
26	A	598	HIS	0	0.022	-0.006	30.799	-0.494	-0.494	0.000	0.000	0.000	0.000
27	A	599	LYS	1	0.960	0.990	35.003	-8.008	-8.008	0.000	0.000	0.000	0.000
28	A	600	TYR	0	-0.059	-0.042	37.042	-0.262	-0.262	0.000	0.000	0.000	0.000
29	A	601	ILE	0	0.001	-0.005	36.492	-0.261	-0.261	0.000	0.000	0.000	0.000
30	A	602	GLU	-1	-0.786	-0.888	37.413	7.330	7.330	0.000	0.000	0.000	0.000
31	A	603	SER	0	-0.075	-0.054	40.040	-0.191	-0.191	0.000	0.000	0.000	0.000
32	A	604	LEU	0	-0.032	-0.010	42.739	-0.184	-0.184	0.000	0.000	0.000	0.000
33	A	605	GLN	0	-0.019	-0.031	39.484	-0.120	-0.120	0.000	0.000	0.000	0.000
34	A	606	LYS	1	0.770	0.887	40.935	-7.355	-7.355	0.000	0.000	0.000	0.000
35	A	607	GLY	0	0.007	0.014	46.364	-0.132	-0.132	0.000	0.000	0.000	0.000
36	A	608	GLN	0	-0.038	-0.009	46.518	-0.170	-0.170	0.000	0.000	0.000	0.000
37	A	609	VAL	0	0.031	0.023	45.928	0.176	0.176	0.000	0.000	0.000	0.000
38	A	610	LEU	0	-0.005	0.012	41.729	-0.043	-0.043	0.000	0.000	0.000	0.000
39	A	611	SER	0	-0.028	-0.037	44.768	-0.001	-0.001	0.000	0.000	0.000	0.000
40	A	612	LYS	1	0.935	0.924	43.150	-6.617	-6.617	0.000	0.000	0.000	0.000
41	A	613	ASP	-1	-0.820	-0.870	41.606	7.117	7.117	0.000	0.000	0.000	0.000
42	A	614	LEU	0	0.001	0.004	38.633	0.189	0.189	0.000	0.000	0.000	0.000
43	A	615	LEU	0	-0.046	-0.008	37.098	0.234	0.234	0.000	0.000	0.000	0.000
44	A	616	GLN	0	0.038	0.028	34.201	0.033	0.033	0.000	0.000	0.000	0.000
45	A	617	THR	0	0.017	0.009	33.377	0.175	0.175	0.000	0.000	0.000	0.000
46	A	618	MET	0	-0.043	-0.002	31.173	0.277	0.277	0.000	0.000	0.000	0.000
47	A	619	PHE	0	0.014	-0.008	28.075	-0.122	-0.122	0.000	0.000	0.000	0.000
48	A	620	PRO	0	-0.011	-0.001	27.687	0.321	0.321	0.000	0.000	0.000	0.000
49	A	621	VAL	0	-0.032	-0.017	22.071	0.019	0.019	0.000	0.000	0.000	0.000
50	A	622	ASP	-1	-0.791	-0.892	23.312	12.137	12.137	0.000	0.000	0.000	0.000
51	A	623	PHE	0	-0.027	0.008	16.259	-0.042	-0.042	0.000	0.000	0.000	0.000
52	A	624	ILE	0	0.027	0.014	16.411	-0.097	-0.097	0.000	0.000	0.000	0.000
53	A	625	HIS	0	0.010	0.016	9.322	0.098	0.098	0.000	0.000	0.000	0.000
54	A	626	GLU	-1	-0.851	-0.911	9.136	30.583	30.583	0.000	0.000	0.000	0.000
55	A	627	GLY	0	0.058	0.018	12.526	-0.317	-0.317	0.000	0.000	0.000	0.000
56	A	628	LYS	1	0.875	0.943	15.702	-18.989	-18.989	0.000	0.000	0.000	0.000
57	A	629	ARG	1	0.806	0.874	17.695	-11.652	-11.652	0.000	0.000	0.000	0.000
58	A	630	TYR	0	-0.008	-0.024	15.004	0.205	0.205	0.000	0.000	0.000	0.000
59	A	631	LYS	1	0.897	0.945	20.381	-10.936	-10.936	0.000	0.000	0.000	0.000
60	A	632	PHE	0	0.027	0.006	18.906	-0.161	-0.161	0.000	0.000	0.000	0.000
61	A	633	THR	0	-0.039	-0.017	24.003	-0.438	-0.438	0.000	0.000	0.000	0.000
62	A	634	VAL	0	0.009	0.002	24.282	0.249	0.249	0.000	0.000	0.000	0.000
63	A	635	ALA	0	0.041	0.031	27.299	-0.328	-0.328	0.000	0.000	0.000	0.000
64	A	636	LYS	1	0.833	0.928	29.126	-9.703	-9.703	0.000	0.000	0.000	0.000
65	A	637	SER	0	0.031	-0.006	29.780	-0.279	-0.279	0.000	0.000	0.000	0.000
66	A	638	GLY	0	0.044	-0.002	32.021	-0.181	-0.181	0.000	0.000	0.000	0.000
67	A	639	ASN	0	0.019	0.015	31.772	0.140	0.140	0.000	0.000	0.000	0.000
68	A	640	ASP	-1	-0.817	-0.888	28.593	10.095	10.095	0.000	0.000	0.000	0.000
69	A	641	ARG	1	0.895	0.956	27.532	-9.457	-9.457	0.000	0.000	0.000	0.000
70	A	642	TYR	0	0.074	0.035	25.124	-0.271	-0.271	0.000	0.000	0.000	0.000
71	A	643	THR	0	-0.040	-0.017	25.997	0.080	0.080	0.000	0.000	0.000	0.000
72	A	644	LEU	0	-0.016	0.009	20.174	-0.296	-0.296	0.000	0.000	0.000	0.000
73	A	645	PHE	0	-0.002	-0.010	24.411	-0.132	-0.132	0.000	0.000	0.000	0.000
74	A	646	ILE	0	-0.036	-0.008	20.931	0.143	0.143	0.000	0.000	0.000	0.000
75	A	647	ASN	0	0.015	-0.004	22.960	-0.617	-0.617	0.000	0.000	0.000	0.000
76	A	648	GLY	0	0.013	0.010	26.073	-0.191	-0.191	0.000	0.000	0.000	0.000
77	A	649	SER	0	-0.014	-0.004	23.931	-0.041	-0.041	0.000	0.000	0.000	0.000
78	A	650	LYS	1	0.831	0.892	25.055	-10.379	-10.379	0.000	0.000	0.000	0.000
79	A	651	CYS	0	0.000	-0.002	20.804	0.488	0.488	0.000	0.000	0.000	0.000
80	A	652	ASP	-1	-0.837	-0.888	23.230	10.813	10.813	0.000	0.000	0.000	0.000
81	A	653	ILE	0	-0.001	-0.008	19.566	0.522	0.522	0.000	0.000	0.000	0.000
82	A	654	ILE	0	-0.051	-0.020	23.412	-0.638	-0.638	0.000	0.000	0.000	0.000
83	A	655	LEU	0	-0.019	-0.012	21.892	0.633	0.633	0.000	0.000	0.000	0.000
84	A	656	ARG	1	0.838	0.897	23.141	-11.290	-11.290	0.000	0.000	0.000	0.000
85	A	657	GLN	0	0.025	0.025	22.640	0.339	0.339	0.000	0.000	0.000	0.000
86	A	658	LEU	0	-0.026	-0.001	18.401	-0.251	-0.251	0.000	0.000	0.000	0.000
87	A	659	SER	0	-0.028	-0.020	22.934	-0.447	-0.447	0.000	0.000	0.000	0.000
88	A	660	ASP	-1	-0.806	-0.894	19.954	13.099	13.099	0.000	0.000	0.000	0.000
89	A	661	GLY	0	-0.005	-0.005	20.912	-0.155	-0.155	0.000	0.000	0.000	0.000
90	A	662	GLY	0	0.011	0.014	18.325	0.218	0.218	0.000	0.000	0.000	0.000
91	A	663	LEU	0	-0.030	-0.021	18.065	-0.692	-0.692	0.000	0.000	0.000	0.000
92	A	664	LEU	0	-0.020	-0.017	17.912	0.864	0.864	0.000	0.000	0.000	0.000
93	A	665	ILE	0	0.028	0.007	18.047	-0.638	-0.638	0.000	0.000	0.000	0.000
94	A	666	ALA	0	-0.042	-0.021	18.701	0.747	0.747	0.000	0.000	0.000	0.000
95	A	667	ILE	0	0.042	0.007	16.062	-0.465	-0.465	0.000	0.000	0.000	0.000
96	A	668	GLY	0	0.059	0.033	19.390	0.431	0.431	0.000	0.000	0.000	0.000
97	A	669	GLY	0	-0.018	-0.016	21.744	-0.006	-0.006	0.000	0.000	0.000	0.000
98	A	670	LYS	1	0.850	0.932	13.214	-20.399	-20.399	0.000	0.000	0.000	0.000
99	A	671	SER	0	-0.001	-0.009	18.175	0.019	0.019	0.000	0.000	0.000	0.000
100	A	672	HIS	1	0.862	0.922	12.968	-18.704	-18.704	0.000	0.000	0.000	0.000
101	A	673	THR	0	0.014	0.021	13.982	-0.696	-0.696	0.000	0.000	0.000	0.000
102	A	674	ILE	0	-0.007	-0.009	13.334	1.340	1.340	0.000	0.000	0.000	0.000
103	A	675	TYR	0	-0.036	-0.019	13.427	-0.908	-0.908	0.000	0.000	0.000	0.000
104	A	676	TRP	0	-0.004	0.003	13.542	1.422	1.422	0.000	0.000	0.000	0.000
105	A	677	LYS	1	0.964	0.975	15.673	-15.706	-15.706	0.000	0.000	0.000	0.000
106	A	678	GLU	-1	-0.753	-0.849	17.076	14.247	14.247	0.000	0.000	0.000	0.000
107	A	679	GLU	-1	-0.865	-0.934	15.797	17.034	17.034	0.000	0.000	0.000	0.000
108	A	680	VAL	0	-0.028	-0.020	20.100	-0.126	-0.126	0.000	0.000	0.000	0.000
109	A	681	ALA	0	0.018	0.019	20.425	-0.521	-0.521	0.000	0.000	0.000	0.000
110	A	682	ALA	0	-0.001	0.006	16.437	0.305	0.305	0.000	0.000	0.000	0.000
111	A	683	THR	0	-0.014	-0.028	16.717	-0.547	-0.547	0.000	0.000	0.000	0.000
112	A	684	ARG	1	0.860	0.933	10.438	-19.642	-19.642	0.000	0.000	0.000	0.000
113	A	685	LEU	0	0.016	0.001	12.099	-0.798	-0.798	0.000	0.000	0.000	0.000
114	A	686	SER	0	-0.048	-0.027	9.157	1.511	1.511	0.000	0.000	0.000	0.000
115	A	687	VAL	0	0.028	-0.001	9.023	-1.956	-1.956	0.000	0.000	0.000	0.000
116	A	688	ASP	-1	-0.762	-0.877	8.817	23.830	23.830	0.000	0.000	0.000	0.000
117	A	689	SER	0	-0.063	-0.032	7.967	1.853	1.853	0.000	0.000	0.000	0.000
118	A	690	MET	0	0.029	0.044	3.763	1.184	1.511	0.000	-0.073	-0.254	0.000
119	A	691	THR	0	-0.027	-0.026	5.220	-3.135	-3.135	0.000	0.000	0.000	0.000
120	A	692	THR	0	-0.004	-0.032	6.297	3.484	3.484	0.000	0.000	0.000	0.000
121	A	693	LEU	0	-0.030	-0.014	8.933	-1.374	-1.374	0.000	0.000	0.000	0.000
122	A	694	LEU	0	-0.034	0.002	12.440	0.341	0.341	0.000	0.000	0.000	0.000
123	A	695	GLU	-1	-0.909	-0.963	14.555	17.604	17.604	0.000	0.000	0.000	0.000
124	A	696	VAL	0	-0.002	-0.011	17.617	-0.289	-0.289	0.000	0.000	0.000	0.000
125	A	697	GLU	-1	-0.852	-0.903	21.136	12.179	12.179	0.000	0.000	0.000	0.000
126	A	698	ASN	0	-0.019	-0.016	20.956	-0.741	-0.741	0.000	0.000	0.000	0.000
127	A	699	ASP	-1	-0.765	-0.853	24.036	9.813	9.813	0.000	0.000	0.000	0.000
128	A	700	PRO	0	-0.028	-0.019	25.976	-0.108	-0.108	0.000	0.000	0.000	0.000
129	A	701	THR	0	-0.036	-0.020	27.485	-0.240	-0.240	0.000	0.000	0.000	0.000
130	A	702	GLN	0	-0.010	-0.007	28.794	-0.209	-0.209	0.000	0.000	0.000	0.000
131	A	703	LEU	0	0.000	0.004	28.602	0.452	0.452	0.000	0.000	0.000	0.000
132	A	704	ARG	1	0.833	0.884	26.689	-10.620	-10.620	0.000	0.000	0.000	0.000
133	A	705	THR	0	-0.013	-0.012	27.278	0.285	0.285	0.000	0.000	0.000	0.000
134	A	706	PRO	0	-0.005	0.000	23.184	0.179	0.179	0.000	0.000	0.000	0.000
135	A	707	SER	0	-0.005	-0.012	24.104	0.360	0.360	0.000	0.000	0.000	0.000
136	A	708	PRO	0	-0.025	0.000	26.711	-0.230	-0.230	0.000	0.000	0.000	0.000
137	A	709	GLY	0	0.010	-0.004	30.162	0.147	0.147	0.000	0.000	0.000	0.000
138	A	710	LYS	1	0.854	0.934	32.995	-7.769	-7.769	0.000	0.000	0.000	0.000
139	A	711	LEU	0	0.007	0.018	35.389	0.143	0.143	0.000	0.000	0.000	0.000
140	A	712	VAL	0	-0.068	-0.035	36.919	-0.262	-0.262	0.000	0.000	0.000	0.000
141	A	713	LYS	1	0.828	0.889	37.959	-7.875	-7.875	0.000	0.000	0.000	0.000
142	A	714	PHE	0	0.010	0.009	35.702	0.256	0.256	0.000	0.000	0.000	0.000
143	A	715	LEU	0	-0.100	-0.057	34.421	-0.153	-0.153	0.000	0.000	0.000	0.000
144	A	716	VAL	0	0.025	0.020	36.768	0.064	0.064	0.000	0.000	0.000	0.000
145	A	717	GLU	-1	-0.960	-0.979	39.357	6.696	6.696	0.000	0.000	0.000	0.000
146	A	718	ASN	0	-0.009	-0.013	41.033	0.303	0.303	0.000	0.000	0.000	0.000
147	A	719	GLY	0	0.003	-0.001	41.580	-0.166	-0.166	0.000	0.000	0.000	0.000
148	A	720	GLU	-1	-0.862	-0.918	40.079	7.588	7.588	0.000	0.000	0.000	0.000
149	A	721	HIS	0	-0.075	-0.059	35.360	0.071	0.071	0.000	0.000	0.000	0.000
150	A	722	ILE	0	-0.009	0.000	32.265	0.037	0.037	0.000	0.000	0.000	0.000
151	A	723	ILE	0	0.054	0.027	31.181	0.138	0.138	0.000	0.000	0.000	0.000
152	A	724	LYS	1	0.781	0.875	23.806	-12.003	-12.003	0.000	0.000	0.000	0.000
153	A	725	GLY	0	0.009	0.006	27.091	0.019	0.019	0.000	0.000	0.000	0.000
154	A	726	GLN	0	0.035	0.031	27.938	0.016	0.016	0.000	0.000	0.000	0.000
155	A	727	PRO	0	-0.021	-0.028	30.990	0.121	0.121	0.000	0.000	0.000	0.000
156	A	728	TYR	0	0.051	0.024	29.295	-0.319	-0.319	0.000	0.000	0.000	0.000
157	A	729	ALA	0	0.006	0.011	32.896	-0.294	-0.294	0.000	0.000	0.000	0.000
158	A	730	GLU	-1	-0.782	-0.865	33.139	8.230	8.230	0.000	0.000	0.000	0.000
159	A	731	ILE	0	0.017	0.008	30.790	-0.267	-0.267	0.000	0.000	0.000	0.000
160	A	732	GLU	-1	-0.859	-0.924	33.400	7.928	7.928	0.000	0.000	0.000	0.000
161	A	733	VAL	0	0.010	-0.010	28.242	0.026	0.026	0.000	0.000	0.000	0.000
162	A	734	MET	0	-0.005	-0.013	29.840	-0.067	-0.067	0.000	0.000	0.000	0.000
163	A	735	LYS	1	0.941	0.971	32.613	-7.686	-7.686	0.000	0.000	0.000	0.000
164	A	736	MET	0	0.007	0.034	30.513	-0.246	-0.246	0.000	0.000	0.000	0.000
165	A	737	GLN	0	-0.024	-0.038	33.339	-0.183	-0.183	0.000	0.000	0.000	0.000
166	A	738	MET	0	-0.015	-0.012	25.320	0.227	0.227	0.000	0.000	0.000	0.000
167	A	739	PRO	0	0.027	0.023	29.531	-0.193	-0.193	0.000	0.000	0.000	0.000
168	A	740	LEU	0	-0.033	-0.009	27.224	0.425	0.425	0.000	0.000	0.000	0.000
169	A	741	VAL	0	0.014	0.001	26.449	-0.311	-0.311	0.000	0.000	0.000	0.000
170	A	742	SER	0	0.001	-0.001	27.330	0.377	0.377	0.000	0.000	0.000	0.000
171	A	743	GLN	0	0.017	-0.008	23.061	0.742	0.742	0.000	0.000	0.000	0.000
172	A	744	GLU	-1	-0.780	-0.853	25.378	11.683	11.683	0.000	0.000	0.000	0.000
173	A	745	ASN	0	-0.001	-0.006	28.113	-0.185	-0.185	0.000	0.000	0.000	0.000
174	A	746	GLY	0	0.060	0.041	31.679	0.067	0.067	0.000	0.000	0.000	0.000
175	A	747	ILE	0	-0.023	-0.005	34.847	-0.041	-0.041	0.000	0.000	0.000	0.000
176	A	748	VAL	0	0.012	0.008	35.129	0.133	0.133	0.000	0.000	0.000	0.000
177	A	749	GLN	0	-0.019	-0.017	37.543	-0.436	-0.436	0.000	0.000	0.000	0.000
178	A	750	LEU	0	-0.006	0.002	37.707	0.236	0.236	0.000	0.000	0.000	0.000
179	A	751	LEU	0	-0.026	-0.003	35.990	-0.164	-0.164	0.000	0.000	0.000	0.000
180	A	752	LYS	1	0.764	0.871	35.051	-8.474	-8.474	0.000	0.000	0.000	0.000
181	A	753	GLN	0	0.029	0.003	38.299	-0.130	-0.130	0.000	0.000	0.000	0.000
182	A	754	PRO	0	0.042	0.016	40.504	0.118	0.118	0.000	0.000	0.000	0.000
183	A	755	GLY	0	-0.002	0.010	40.667	-0.165	-0.165	0.000	0.000	0.000	0.000
184	A	756	SER	0	-0.074	-0.041	39.158	0.080	0.080	0.000	0.000	0.000	0.000
185	A	757	THR	0	0.037	0.013	36.502	0.161	0.161	0.000	0.000	0.000	0.000
186	A	758	ILE	0	-0.030	-0.012	32.110	-0.043	-0.043	0.000	0.000	0.000	0.000
187	A	759	VAL	0	0.010	0.011	30.345	0.070	0.070	0.000	0.000	0.000	0.000
188	A	760	ALA	0	0.030	-0.006	25.871	0.113	0.113	0.000	0.000	0.000	0.000
189	A	761	GLY	0	0.073	0.041	26.589	-0.049	-0.049	0.000	0.000	0.000	0.000
190	A	762	ASP	-1	-0.814	-0.881	27.201	8.649	8.649	0.000	0.000	0.000	0.000
191	A	763	ILE	0	0.009	0.002	30.261	0.256	0.256	0.000	0.000	0.000	0.000
192	A	764	MET	0	-0.002	0.007	31.080	-0.297	-0.297	0.000	0.000	0.000	0.000
193	A	765	ALA	0	0.003	-0.002	33.136	-0.332	-0.332	0.000	0.000	0.000	0.000
194	A	766	ILE	0	0.001	0.002	33.164	0.289	0.289	0.000	0.000	0.000	0.000
195	A	767	MET	0	-0.048	-0.008	31.587	-0.093	-0.093	0.000	0.000	0.000	0.000
196	A	768	THR	0	0.004	0.003	34.380	0.115	0.115	0.000	0.000	0.000	0.000
197	A	769	LEU	0	0.004	-0.017	29.971	0.253	0.253	0.000	0.000	0.000	0.000
198	A	770	ASP	-1	-0.839	-0.922	33.467	8.646	8.646	0.000	0.000	0.000	0.000
199	A	771	ASP	-1	-0.844	-0.905	30.989	9.965	9.965	0.000	0.000	0.000	0.000
200	A	772	PRO	0	-0.006	-0.017	30.777	0.359	0.359	0.000	0.000	0.000	0.000
201	A	773	SER	0	-0.103	-0.060	30.534	0.235	0.235	0.000	0.000	0.000	0.000
202	A	774	LYS	1	0.834	0.906	26.362	-10.732	-10.732	0.000	0.000	0.000	0.000
203	A	775	VAL	0	-0.030	-0.009	25.567	0.589	0.589	0.000	0.000	0.000	0.000
204	A	776	LYS	1	0.939	0.968	19.724	-14.865	-14.865	0.000	0.000	0.000	0.000
205	A	777	HIS	0	0.033	0.016	22.062	0.635	0.635	0.000	0.000	0.000	0.000
206	A	778	ALA	0	0.003	0.011	19.564	0.279	0.279	0.000	0.000	0.000	0.000
207	A	779	LEU	0	0.028	0.017	20.386	-0.432	-0.432	0.000	0.000	0.000	0.000
208	A	780	PRO	0	0.039	0.019	20.702	0.605	0.605	0.000	0.000	0.000	0.000
209	A	781	PHE	0	-0.041	-0.028	16.632	0.567	0.567	0.000	0.000	0.000	0.000
210	A	782	GLU	-1	-0.928	-0.953	20.409	13.164	13.164	0.000	0.000	0.000	0.000
211	A	783	GLY	0	-0.006	0.017	20.190	-0.401	-0.401	0.000	0.000	0.000	0.000
212	A	784	MET	0	-0.004	0.003	21.227	-0.523	-0.523	0.000	0.000	0.000	0.000
213	A	785	LEU	0	-0.019	-0.024	18.562	0.827	0.827	0.000	0.000	0.000	0.000
214	A	786	PRO	0	-0.002	0.006	17.143	-0.593	-0.593	0.000	0.000	0.000	0.000
215	A	787	ASP	-1	-0.883	-0.951	20.430	12.542	12.542	0.000	0.000	0.000	0.000
216	A	788	PHE	0	-0.044	-0.025	15.113	0.129	0.129	0.000	0.000	0.000	0.000
217	A	789	GLY	0	0.002	-0.015	20.564	-0.554	-0.554	0.000	0.000	0.000	0.000
218	A	790	SER	0	-0.042	0.007	21.403	0.278	0.278	0.000	0.000	0.000	0.000
219	A	791	PRO	0	-0.023	-0.022	23.446	-0.490	-0.490	0.000	0.000	0.000	0.000
220	A	792	VAL	0	-0.015	0.004	26.991	-0.062	-0.062	0.000	0.000	0.000	0.000
221	A	793	ILE	0	0.048	0.023	29.930	-0.146	-0.146	0.000	0.000	0.000	0.000
222	A	794	GLU	-1	-0.769	-0.869	31.983	8.042	8.042	0.000	0.000	0.000	0.000
223	A	795	GLY	0	0.050	0.032	35.425	-0.045	-0.045	0.000	0.000	0.000	0.000
224	A	796	THR	0	-0.036	-0.011	33.729	-0.094	-0.094	0.000	0.000	0.000	0.000
225	A	797	LYS	1	0.989	0.994	33.282	-9.236	-9.236	0.000	0.000	0.000	0.000
226	A	798	PRO	0	0.004	-0.003	35.864	0.030	0.030	0.000	0.000	0.000	0.000
227	A	799	ALA	0	0.057	0.031	37.019	-0.051	-0.051	0.000	0.000	0.000	0.000
228	A	800	TYR	0	0.013	0.004	30.150	0.080	0.080	0.000	0.000	0.000	0.000
229	A	801	LYS	1	0.773	0.888	34.707	-7.598	-7.598	0.000	0.000	0.000	0.000
230	A	802	PHE	0	0.014	-0.003	36.956	-0.025	-0.025	0.000	0.000	0.000	0.000
231	A	803	LYS	1	0.873	0.913	35.178	-8.493	-8.493	0.000	0.000	0.000	0.000
232	A	804	SER	0	0.019	0.015	33.328	0.152	0.152	0.000	0.000	0.000	0.000
233	A	805	LEU	0	-0.041	-0.006	34.908	-0.021	-0.021	0.000	0.000	0.000	0.000
234	A	806	VAL	0	0.023	0.010	38.257	-0.079	-0.079	0.000	0.000	0.000	0.000
235	A	807	SER	0	-0.007	-0.006	34.440	0.061	0.061	0.000	0.000	0.000	0.000
236	A	808	THR	0	-0.016	-0.004	35.786	0.130	0.130	0.000	0.000	0.000	0.000
237	A	809	LEU	0	0.003	-0.010	36.798	-0.062	-0.062	0.000	0.000	0.000	0.000
238	A	810	GLU	-1	-0.807	-0.879	38.286	7.524	7.524	0.000	0.000	0.000	0.000
239	A	811	ASN	0	-0.008	0.000	33.838	-0.196	-0.196	0.000	0.000	0.000	0.000
240	A	812	ILE	0	-0.027	-0.006	37.744	-0.033	-0.033	0.000	0.000	0.000	0.000
241	A	813	LEU	0	-0.040	-0.005	40.296	-0.132	-0.132	0.000	0.000	0.000	0.000
242	A	814	LYS	1	0.801	0.869	38.476	-7.755	-7.755	0.000	0.000	0.000	0.000
243	A	815	GLY	0	0.027	0.022	40.232	0.021	0.021	0.000	0.000	0.000	0.000
244	A	816	TYR	0	-0.034	-0.030	34.020	0.138	0.138	0.000	0.000	0.000	0.000
245	A	817	ASP	-1	-0.815	-0.901	37.253	7.851	7.851	0.000	0.000	0.000	0.000
246	A	818	ASN	0	-0.049	-0.020	34.377	-0.053	-0.053	0.000	0.000	0.000	0.000
247	A	819	GLN	0	-0.037	-0.036	33.733	0.487	0.487	0.000	0.000	0.000	0.000
248	A	820	VAL	0	-0.005	0.006	31.664	-0.156	-0.156	0.000	0.000	0.000	0.000
249	A	821	ILE	0	0.014	0.002	34.366	0.054	0.054	0.000	0.000	0.000	0.000
250	A	822	MET	0	0.000	0.002	36.365	-0.019	-0.019	0.000	0.000	0.000	0.000
251	A	823	ASN	0	0.047	0.007	38.217	-0.057	-0.057	0.000	0.000	0.000	0.000
252	A	824	ALA	0	0.023	0.017	41.013	-0.174	-0.174	0.000	0.000	0.000	0.000
253	A	825	SER	0	-0.008	-0.004	40.247	-0.161	-0.161	0.000	0.000	0.000	0.000
254	A	826	LEU	0	0.039	0.032	42.047	0.019	0.019	0.000	0.000	0.000	0.000
255	A	827	GLN	0	0.057	0.018	45.322	-0.077	-0.077	0.000	0.000	0.000	0.000
256	A	828	GLN	0	0.026	-0.005	40.595	0.114	0.114	0.000	0.000	0.000	0.000
257	A	829	LEU	0	-0.012	0.009	41.729	0.117	0.117	0.000	0.000	0.000	0.000
258	A	830	ILE	0	0.025	0.007	43.749	-0.007	-0.007	0.000	0.000	0.000	0.000
259	A	831	GLU	-1	-0.824	-0.897	43.630	7.272	7.272	0.000	0.000	0.000	0.000
260	A	832	VAL	0	-0.051	-0.036	40.946	-0.026	-0.026	0.000	0.000	0.000	0.000
261	A	833	LEU	0	-0.026	-0.011	44.304	-0.012	-0.012	0.000	0.000	0.000	0.000
262	A	834	ARG	1	0.832	0.891	46.763	-6.194	-6.194	0.000	0.000	0.000	0.000
263	A	835	ASN	0	0.011	0.011	43.897	-0.163	-0.163	0.000	0.000	0.000	0.000
264	A	836	PRO	0	0.033	0.009	46.678	0.129	0.129	0.000	0.000	0.000	0.000
265	A	837	LYS	1	0.916	0.949	44.053	-6.924	-6.924	0.000	0.000	0.000	0.000
266	A	838	LEU	0	-0.006	0.015	41.255	0.193	0.193	0.000	0.000	0.000	0.000
267	A	839	PRO	0	0.022	0.017	42.441	0.172	0.172	0.000	0.000	0.000	0.000
268	A	840	TYR	0	0.015	-0.005	43.155	0.102	0.102	0.000	0.000	0.000	0.000
269	A	841	SER	0	-0.061	-0.036	38.916	0.229	0.229	0.000	0.000	0.000	0.000
270	A	842	GLU	-1	-0.756	-0.866	38.362	7.980	7.980	0.000	0.000	0.000	0.000
271	A	843	TRP	0	0.010	-0.014	38.536	0.177	0.177	0.000	0.000	0.000	0.000
272	A	844	LYS	1	0.837	0.902	36.832	-7.947	-7.947	0.000	0.000	0.000	0.000
273	A	845	LEU	0	-0.048	-0.028	32.471	0.213	0.213	0.000	0.000	0.000	0.000
274	A	846	HIS	0	0.038	0.018	34.051	0.184	0.184	0.000	0.000	0.000	0.000
275	A	847	ILE	0	0.033	0.017	35.393	0.142	0.142	0.000	0.000	0.000	0.000
276	A	848	SER	0	-0.083	-0.031	32.110	0.102	0.102	0.000	0.000	0.000	0.000
277	A	849	ALA	0	0.019	-0.002	30.731	0.137	0.137	0.000	0.000	0.000	0.000
278	A	850	LEU	0	-0.008	0.001	31.963	0.090	0.090	0.000	0.000	0.000	0.000
279	A	851	HIS	1	0.862	0.906	34.842	-8.644	-8.644	0.000	0.000	0.000	0.000
280	A	852	SER	0	-0.003	0.008	31.444	-0.197	-0.197	0.000	0.000	0.000	0.000
281	A	853	ARG	1	0.934	0.967	29.846	-9.690	-9.690	0.000	0.000	0.000	0.000
282	A	854	LEU	0	-0.009	0.009	36.046	-0.225	-0.225	0.000	0.000	0.000	0.000
283	A	855	PRO	0	0.044	0.020	39.536	0.065	0.065	0.000	0.000	0.000	0.000
284	A	856	ALA	0	0.047	0.028	40.803	-0.075	-0.075	0.000	0.000	0.000	0.000
285	A	857	LYS	1	0.973	0.987	42.035	-6.362	-6.362	0.000	0.000	0.000	0.000
286	A	858	LEU	0	-0.027	-0.021	43.776	-0.155	-0.155	0.000	0.000	0.000	0.000
287	A	859	ASP	-1	-0.834	-0.903	39.817	7.975	7.975	0.000	0.000	0.000	0.000
288	A	860	GLU	-1	-0.890	-0.947	42.778	6.975	6.975	0.000	0.000	0.000	0.000
289	A	861	GLN	0	-0.022	-0.014	45.156	-0.096	-0.096	0.000	0.000	0.000	0.000
290	A	862	MET	0	-0.052	-0.015	42.598	-0.156	-0.156	0.000	0.000	0.000	0.000
291	A	863	GLU	-1	-0.833	-0.910	42.320	7.469	7.469	0.000	0.000	0.000	0.000
292	A	864	GLU	-1	-0.744	-0.835	44.965	6.144	6.144	0.000	0.000	0.000	0.000
293	A	865	LEU	0	-0.015	-0.010	48.157	-0.161	-0.161	0.000	0.000	0.000	0.000
294	A	866	VAL	0	0.020	0.009	44.732	-0.143	-0.143	0.000	0.000	0.000	0.000
295	A	867	ALA	0	0.019	-0.003	46.588	-0.079	-0.079	0.000	0.000	0.000	0.000
296	A	868	ARG	1	0.811	0.878	48.281	-6.174	-6.174	0.000	0.000	0.000	0.000
297	A	869	SER	0	-0.024	-0.023	50.455	-0.171	-0.171	0.000	0.000	0.000	0.000
298	A	870	LEU	0	-0.075	-0.022	46.117	-0.059	-0.059	0.000	0.000	0.000	0.000
299	A	871	ARG	1	0.823	0.915	49.857	-6.288	-6.288	0.000	0.000	0.000	0.000
300	A	872	ARG	1	0.869	0.927	53.739	-5.908	-5.908	0.000	0.000	0.000	0.000
301	A	873	GLY	0	0.030	0.018	54.616	-0.126	-0.126	0.000	0.000	0.000	0.000
302	A	874	ALA	0	-0.014	0.002	51.406	0.106	0.106	0.000	0.000	0.000	0.000
303	A	875	VAL	0	-0.006	-0.009	51.435	0.059	0.059	0.000	0.000	0.000	0.000
304	A	876	PHE	0	0.045	0.028	44.955	-0.054	-0.054	0.000	0.000	0.000	0.000
305	A	877	PRO	0	0.013	0.016	48.606	-0.114	-0.114	0.000	0.000	0.000	0.000
306	A	878	ALA	0	-0.001	-0.001	49.420	-0.011	-0.011	0.000	0.000	0.000	0.000
307	A	879	ARG	1	0.953	0.961	50.468	-5.597	-5.597	0.000	0.000	0.000	0.000
308	A	880	GLN	0	-0.012	-0.003	52.831	-0.006	-0.006	0.000	0.000	0.000	0.000
309	A	881	LEU	0	0.025	0.018	46.359	-0.021	-0.021	0.000	0.000	0.000	0.000
310	A	882	SER	0	0.036	0.006	49.265	0.073	0.073	0.000	0.000	0.000	0.000
311	A	883	LYS	1	0.886	0.951	50.344	-5.913	-5.913	0.000	0.000	0.000	0.000
312	A	884	LEU	0	-0.047	-0.030	49.096	-0.055	-0.055	0.000	0.000	0.000	0.000
313	A	885	ILE	0	0.045	0.020	44.840	0.025	0.025	0.000	0.000	0.000	0.000
314	A	886	ASP	-1	-0.819	-0.886	47.856	5.998	5.998	0.000	0.000	0.000	0.000
315	A	887	MET	0	-0.016	-0.021	50.541	-0.016	-0.016	0.000	0.000	0.000	0.000
316	A	888	ALA	0	0.000	0.009	46.820	-0.018	-0.018	0.000	0.000	0.000	0.000
317	A	889	VAL	0	0.002	0.001	45.568	0.056	0.056	0.000	0.000	0.000	0.000
318	A	890	LYS	1	0.773	0.876	47.977	-5.865	-5.865	0.000	0.000	0.000	0.000
319	A	891	ASN	0	0.043	0.002	49.957	-0.228	-0.228	0.000	0.000	0.000	0.000
320	A	892	PRO	0	0.008	-0.005	49.275	0.138	0.138	0.000	0.000	0.000	0.000
321	A	893	GLU	-1	-0.887	-0.924	48.522	6.510	6.510	0.000	0.000	0.000	0.000
322	A	894	TYR	0	-0.069	-0.019	45.651	0.106	0.106	0.000	0.000	0.000	0.000
323	A	895	ASN	0	-0.043	-0.027	44.558	0.343	0.343	0.000	0.000	0.000	0.000
324	A	896	PRO	0	0.021	0.008	43.302	-0.099	-0.099	0.000	0.000	0.000	0.000
325	A	897	ASP	-1	-0.836	-0.908	42.787	6.807	6.807	0.000	0.000	0.000	0.000
326	A	898	LYS	1	0.863	0.917	43.603	-6.456	-6.456	0.000	0.000	0.000	0.000
327	A	899	LEU	0	0.018	0.005	38.333	0.045	0.045	0.000	0.000	0.000	0.000
328	A	900	LEU	0	0.005	0.014	40.238	0.175	0.175	0.000	0.000	0.000	0.000
329	A	901	GLY	0	0.012	0.002	41.748	0.053	0.053	0.000	0.000	0.000	0.000
330	A	902	ALA	0	0.026	0.004	38.066	0.044	0.044	0.000	0.000	0.000	0.000
331	A	903	VAL	0	-0.071	-0.022	36.624	0.256	0.256	0.000	0.000	0.000	0.000
332	A	904	VAL	0	0.002	-0.013	38.221	0.115	0.115	0.000	0.000	0.000	0.000
333	A	905	GLU	-1	-0.885	-0.920	39.479	7.222	7.222	0.000	0.000	0.000	0.000
334	A	906	PRO	0	-0.023	-0.026	36.378	-0.089	-0.089	0.000	0.000	0.000	0.000
335	A	907	LEU	0	-0.034	-0.022	38.920	-0.021	-0.021	0.000	0.000	0.000	0.000
336	A	908	ALA	0	-0.006	-0.004	41.885	-0.181	-0.181	0.000	0.000	0.000	0.000
337	A	909	ASP	-1	-0.776	-0.883	41.841	7.271	7.271	0.000	0.000	0.000	0.000
338	A	910	ILE	0	-0.053	-0.013	39.917	-0.161	-0.161	0.000	0.000	0.000	0.000
339	A	911	ALA	0	-0.013	-0.007	44.343	-0.141	-0.141	0.000	0.000	0.000	0.000
340	A	912	HIS	0	0.059	0.042	47.439	-0.255	-0.255	0.000	0.000	0.000	0.000
341	A	913	LYS	1	0.816	0.912	41.928	-7.576	-7.576	0.000	0.000	0.000	0.000
342	A	914	TYR	0	-0.013	-0.039	43.363	-0.139	-0.139	0.000	0.000	0.000	0.000
343	A	915	SER	0	-0.050	-0.049	49.578	-0.162	-0.162	0.000	0.000	0.000	0.000
344	A	916	ASN	0	-0.020	0.005	52.586	-0.189	-0.189	0.000	0.000	0.000	0.000
345	A	917	GLY	0	0.021	0.016	53.192	-0.086	-0.086	0.000	0.000	0.000	0.000
346	A	918	LEU	0	-0.015	-0.012	48.092	0.042	0.042	0.000	0.000	0.000	0.000
347	A	919	GLU	-1	-0.752	-0.846	51.014	5.579	5.579	0.000	0.000	0.000	0.000
348	A	920	ALA	0	0.022	0.013	53.293	0.004	0.004	0.000	0.000	0.000	0.000
349	A	921	HIS	0	0.026	0.020	44.554	-0.035	-0.035	0.000	0.000	0.000	0.000
350	A	922	GLU	-1	-0.771	-0.844	48.820	6.157	6.157	0.000	0.000	0.000	0.000
351	A	923	HIS	0	0.000	-0.020	49.568	0.124	0.124	0.000	0.000	0.000	0.000
352	A	924	SER	0	-0.050	-0.029	48.762	0.053	0.053	0.000	0.000	0.000	0.000
353	A	925	ILE	0	0.008	0.007	44.034	0.074	0.074	0.000	0.000	0.000	0.000
354	A	926	PHE	0	0.023	-0.004	46.812	0.078	0.078	0.000	0.000	0.000	0.000
355	A	927	VAL	0	0.008	0.003	49.382	-0.045	-0.045	0.000	0.000	0.000	0.000
356	A	928	HIS	0	-0.020	-0.013	43.347	-0.173	-0.173	0.000	0.000	0.000	0.000
357	A	929	PHE	0	-0.023	-0.024	42.605	0.035	0.035	0.000	0.000	0.000	0.000
358	A	930	LEU	0	-0.033	-0.015	47.429	-0.010	-0.010	0.000	0.000	0.000	0.000
359	A	931	GLU	-1	-0.751	-0.861	50.323	5.757	5.757	0.000	0.000	0.000	0.000
360	A	932	GLU	-1	-0.835	-0.904	43.154	7.284	7.284	0.000	0.000	0.000	0.000
361	A	933	TYR	0	-0.060	-0.056	47.799	0.001	0.001	0.000	0.000	0.000	0.000
362	A	934	TYR	0	-0.034	-0.054	49.190	0.011	0.011	0.000	0.000	0.000	0.000
363	A	935	GLU	-1	-0.834	-0.913	48.939	5.988	5.988	0.000	0.000	0.000	0.000
364	A	936	VAL	0	-0.007	0.001	45.711	0.003	0.003	0.000	0.000	0.000	0.000
365	A	937	GLU	-1	-0.754	-0.873	48.694	6.338	6.338	0.000	0.000	0.000	0.000
366	A	938	LYS	1	0.792	0.892	51.794	-6.015	-6.015	0.000	0.000	0.000	0.000
367	A	939	LEU	0	-0.057	-0.019	48.767	-0.093	-0.093	0.000	0.000	0.000	0.000
368	A	940	PHE	0	-0.034	-0.032	48.037	0.011	0.011	0.000	0.000	0.000	0.000
369	A	941	ASN	0	-0.039	0.002	53.727	-0.057	-0.057	0.000	0.000	0.000	0.000
370	A	942	GLY	0	0.045	0.006	57.175	-0.018	-0.018	0.000	0.000	0.000	0.000
371	A	943	PRO	0	-0.029	-0.019	59.969	0.004	0.004	0.000	0.000	0.000	0.000
372	A	944	ASN	0	-0.019	-0.013	61.028	0.008	0.008	0.000	0.000	0.000	0.000
373	A	945	VAL	0	0.027	0.031	55.152	0.036	0.036	0.000	0.000	0.000	0.000
374	A	946	ARG	1	0.849	0.913	55.897	-5.422	-5.422	0.000	0.000	0.000	0.000
375	A	947	GLU	-1	-0.815	-0.905	50.428	6.204	6.204	0.000	0.000	0.000	0.000
376	A	948	GLU	-1	-0.814	-0.889	50.957	5.843	5.843	0.000	0.000	0.000	0.000
377	A	949	ASN	0	0.010	-0.011	51.653	0.085	0.085	0.000	0.000	0.000	0.000
378	A	950	ILE	0	0.014	0.031	50.679	0.006	0.006	0.000	0.000	0.000	0.000
379	A	951	ILE	0	0.023	0.006	46.348	0.071	0.071	0.000	0.000	0.000	0.000
380	A	952	LEU	0	-0.042	-0.023	48.247	0.097	0.097	0.000	0.000	0.000	0.000
381	A	953	LYS	1	0.836	0.906	50.347	-5.769	-5.769	0.000	0.000	0.000	0.000
382	A	954	LEU	0	0.021	0.006	47.251	0.046	0.046	0.000	0.000	0.000	0.000
383	A	955	ARG	1	0.813	0.887	45.443	-6.111	-6.111	0.000	0.000	0.000	0.000
384	A	956	ASP	-1	-0.832	-0.891	46.976	6.053	6.053	0.000	0.000	0.000	0.000
385	A	957	GLU	-1	-0.844	-0.904	49.441	5.890	5.890	0.000	0.000	0.000	0.000
386	A	958	ASN	0	-0.051	-0.019	43.904	0.153	0.153	0.000	0.000	0.000	0.000
387	A	959	PRO	0	0.042	0.017	43.614	0.194	0.194	0.000	0.000	0.000	0.000
388	A	960	LYS	1	0.867	0.920	40.994	-7.034	-7.034	0.000	0.000	0.000	0.000
389	A	961	ASP	-1	-0.826	-0.900	39.186	7.784	7.784	0.000	0.000	0.000	0.000
390	A	962	LEU	0	0.030	0.017	39.955	-0.090	-0.090	0.000	0.000	0.000	0.000
391	A	963	ASP	-1	-0.811	-0.895	34.757	8.488	8.488	0.000	0.000	0.000	0.000
392	A	964	LYS	1	0.872	0.929	37.772	-7.109	-7.109	0.000	0.000	0.000	0.000
393	A	965	VAL	0	-0.012	0.012	40.214	-0.115	-0.115	0.000	0.000	0.000	0.000
394	A	966	ALA	0	0.016	0.004	38.632	-0.089	-0.089	0.000	0.000	0.000	0.000
395	A	967	LEU	0	-0.004	-0.011	35.933	-0.030	-0.030	0.000	0.000	0.000	0.000
396	A	968	THR	0	-0.024	-0.013	39.979	-0.095	-0.095	0.000	0.000	0.000	0.000
397	A	969	VAL	0	-0.019	-0.007	43.164	-0.123	-0.123	0.000	0.000	0.000	0.000
398	A	970	LEU	0	-0.019	0.004	37.366	-0.091	-0.091	0.000	0.000	0.000	0.000
399	A	971	SER	0	0.002	-0.005	41.780	-0.139	-0.139	0.000	0.000	0.000	0.000
400	A	972	HIS	1	0.808	0.875	43.407	-6.366	-6.366	0.000	0.000	0.000	0.000
401	A	973	SER	0	-0.102	-0.070	43.162	-0.067	-0.067	0.000	0.000	0.000	0.000
402	A	974	LYS	1	0.838	0.912	39.670	-7.698	-7.698	0.000	0.000	0.000	0.000
403	A	975	VAL	0	0.013	0.012	44.668	-0.010	-0.010	0.000	0.000	0.000	0.000
404	A	976	SER	0	-0.069	-0.029	46.774	-0.079	-0.079	0.000	0.000	0.000	0.000
405	A	977	ALA	0	0.035	0.016	43.405	-0.049	-0.049	0.000	0.000	0.000	0.000
406	A	978	LYS	1	0.820	0.905	44.865	-6.779	-6.779	0.000	0.000	0.000	0.000
407	A	979	ASN	0	0.025	0.002	46.584	-0.030	-0.030	0.000	0.000	0.000	0.000
408	A	980	ASN	0	-0.056	-0.013	47.042	-0.031	-0.031	0.000	0.000	0.000	0.000
409	A	981	LEU	0	0.056	0.029	43.809	-0.070	-0.070	0.000	0.000	0.000	0.000
410	A	982	ILE	0	0.022	0.014	47.493	-0.078	-0.078	0.000	0.000	0.000	0.000
411	A	983	LEU	0	0.000	0.000	50.342	-0.124	-0.124	0.000	0.000	0.000	0.000
412	A	984	ALA	0	-0.026	-0.004	49.430	-0.104	-0.104	0.000	0.000	0.000	0.000
413	A	985	ILE	0	-0.015	-0.007	47.250	-0.055	-0.055	0.000	0.000	0.000	0.000
414	A	986	LEU	0	0.020	0.007	51.533	-0.080	-0.080	0.000	0.000	0.000	0.000
415	A	987	LYS	1	0.969	0.980	54.707	-5.706	-5.706	0.000	0.000	0.000	0.000
416	A	988	HIS	0	-0.040	-0.015	52.731	-0.082	-0.082	0.000	0.000	0.000	0.000
417	A	989	TYR	0	0.019	-0.021	51.651	-0.014	-0.014	0.000	0.000	0.000	0.000
418	A	990	GLN	0	-0.005	0.013	56.757	-0.141	-0.141	0.000	0.000	0.000	0.000
419	A	991	PRO	0	-0.020	-0.018	58.609	-0.089	-0.089	0.000	0.000	0.000	0.000
420	A	992	LEU	0	-0.019	-0.009	55.708	-0.065	-0.065	0.000	0.000	0.000	0.000
421	A	993	CYS	0	-0.033	-0.010	59.222	-0.022	-0.022	0.000	0.000	0.000	0.000
422	A	994	LYS	1	0.930	0.962	61.839	-4.755	-4.755	0.000	0.000	0.000	0.000
423	A	995	LEU	0	-0.025	-0.007	62.714	-0.080	-0.080	0.000	0.000	0.000	0.000
424	A	996	SER	0	-0.008	-0.005	62.031	-0.044	-0.044	0.000	0.000	0.000	0.000
425	A	997	SER	0	0.110	0.046	63.285	0.077	0.077	0.000	0.000	0.000	0.000
426	A	998	LYS	1	0.825	0.904	59.318	-5.342	-5.342	0.000	0.000	0.000	0.000
427	A	999	VAL	0	-0.021	-0.010	57.696	0.065	0.065	0.000	0.000	0.000	0.000
428	A	1000	SER	0	0.045	0.008	59.653	0.071	0.071	0.000	0.000	0.000	0.000
429	A	1001	ALA	0	-0.009	0.000	61.761	0.016	0.016	0.000	0.000	0.000	0.000
430	A	1002	ILE	0	-0.053	-0.001	55.871	0.036	0.036	0.000	0.000	0.000	0.000
431	A	1003	PHE	0	0.014	-0.007	53.100	0.077	0.077	0.000	0.000	0.000	0.000
432	A	1004	SER	0	-0.013	-0.012	57.865	0.014	0.014	0.000	0.000	0.000	0.000
433	A	1005	THR	0	-0.002	0.020	57.098	-0.051	-0.051	0.000	0.000	0.000	0.000
434	A	1006	PRO	0	0.032	0.006	54.107	-0.010	-0.010	0.000	0.000	0.000	0.000
435	A	1007	LEU	0	-0.031	-0.004	56.131	0.012	0.012	0.000	0.000	0.000	0.000
436	A	1008	GLN	0	-0.026	-0.034	58.768	-0.056	-0.056	0.000	0.000	0.000	0.000
437	A	1009	HIS	1	0.843	0.906	55.612	-5.627	-5.627	0.000	0.000	0.000	0.000
438	A	1010	ILE	0	-0.009	-0.006	53.458	0.007	0.007	0.000	0.000	0.000	0.000
439	A	1011	VAL	0	-0.051	-0.028	57.324	-0.017	-0.017	0.000	0.000	0.000	0.000
440	A	1012	GLU	-1	-0.824	-0.883	59.023	5.305	5.305	0.000	0.000	0.000	0.000
441	A	1013	LEU	0	-0.101	-0.031	54.418	0.008	0.008	0.000	0.000	0.000	0.000
442	A	1014	GLU	-1	-0.772	-0.837	58.467	4.974	4.974	0.000	0.000	0.000	0.000
443	A	1015	SER	0	0.069	0.027	56.904	0.023	0.023	0.000	0.000	0.000	0.000
444	A	1016	LYS	1	0.919	0.959	56.829	-5.468	-5.468	0.000	0.000	0.000	0.000
445	A	1017	ALA	0	-0.021	-0.015	52.820	0.017	0.017	0.000	0.000	0.000	0.000
446	A	1018	THR	0	0.058	0.027	53.775	0.054	0.054	0.000	0.000	0.000	0.000
447	A	1019	ALA	0	0.036	0.023	55.835	-0.013	-0.013	0.000	0.000	0.000	0.000
448	A	1020	LYS	1	0.955	0.960	56.781	-5.491	-5.491	0.000	0.000	0.000	0.000
449	A	1021	VAL	0	0.012	0.018	53.279	-0.024	-0.024	0.000	0.000	0.000	0.000
450	A	1022	ALA	0	0.091	0.045	56.640	-0.040	-0.040	0.000	0.000	0.000	0.000
451	A	1023	LEU	0	-0.058	-0.006	59.453	-0.081	-0.081	0.000	0.000	0.000	0.000
452	A	1024	GLN	0	-0.036	-0.022	58.232	0.012	0.012	0.000	0.000	0.000	0.000
453	A	1025	ALA	0	0.002	0.002	58.329	-0.030	-0.030	0.000	0.000	0.000	0.000
454	A	1026	ARG	1	0.800	0.847	60.155	-5.058	-5.058	0.000	0.000	0.000	0.000
455	A	1027	GLU	-1	-0.857	-0.923	63.036	4.969	4.969	0.000	0.000	0.000	0.000
456	A	1028	ILE	0	0.009	-0.005	58.976	-0.056	-0.056	0.000	0.000	0.000	0.000
457	A	1029	LEU	0	-0.015	-0.011	62.373	-0.043	-0.043	0.000	0.000	0.000	0.000
458	A	1030	ILE	0	-0.020	-0.005	64.999	-0.071	-0.071	0.000	0.000	0.000	0.000
459	A	1031	GLN	0	-0.004	-0.001	65.721	-0.082	-0.082	0.000	0.000	0.000	0.000
460	A	1032	GLY	0	-0.006	0.005	66.448	-0.030	-0.030	0.000	0.000	0.000	0.000
461	A	1033	ALA	0	-0.047	-0.017	67.293	-0.035	-0.035	0.000	0.000	0.000	0.000
462	A	1034	LEU	0	-0.049	-0.017	70.462	-0.090	-0.090	0.000	0.000	0.000	0.000
463	A	1035	PRO	0	0.012	0.023	71.902	0.036	0.036	0.000	0.000	0.000	0.000
464	A	1036	SER	0	0.014	-0.010	71.852	-0.062	-0.062	0.000	0.000	0.000	0.000
465	A	1037	VAL	0	0.047	0.008	73.718	-0.046	-0.046	0.000	0.000	0.000	0.000
466	A	1038	LYS	1	0.800	0.899	73.321	-4.388	-4.388	0.000	0.000	0.000	0.000
467	A	1039	GLU	-1	-0.834	-0.915	72.299	4.407	4.407	0.000	0.000	0.000	0.000
468	A	1040	ARG	1	0.796	0.859	76.292	-4.046	-4.046	0.000	0.000	0.000	0.000
469	A	1041	THR	0	-0.008	-0.007	79.316	-0.072	-0.072	0.000	0.000	0.000	0.000
470	A	1042	GLU	-1	-0.800	-0.891	76.220	4.206	4.206	0.000	0.000	0.000	0.000
471	A	1043	GLN	0	-0.019	-0.011	76.253	-0.066	-0.066	0.000	0.000	0.000	0.000
472	A	1044	ILE	0	0.023	0.015	81.171	-0.048	-0.048	0.000	0.000	0.000	0.000
473	A	1045	GLU	-1	-0.772	-0.845	83.915	3.706	3.706	0.000	0.000	0.000	0.000
474	A	1046	HIS	0	0.026	0.009	82.645	-0.044	-0.044	0.000	0.000	0.000	0.000
475	A	1047	ILE	0	-0.001	0.007	83.774	-0.040	-0.040	0.000	0.000	0.000	0.000
476	A	1048	LEU	0	-0.014	0.000	86.751	-0.048	-0.048	0.000	0.000	0.000	0.000
477	A	1049	LYS	1	0.850	0.914	86.682	-3.763	-3.763	0.000	0.000	0.000	0.000
478	A	1050	SER	0	-0.044	-0.040	87.236	-0.042	-0.042	0.000	0.000	0.000	0.000
479	A	1051	SER	0	-0.065	-0.036	89.238	-0.045	-0.045	0.000	0.000	0.000	0.000
480	A	1052	VAL	0	0.018	0.006	92.342	-0.052	-0.052	0.000	0.000	0.000	0.000
481	A	1053	VAL	0	-0.031	0.001	89.709	-0.009	-0.009	0.000	0.000	0.000	0.000
482	A	1054	LYS	1	0.907	0.957	92.792	-3.407	-3.407	0.000	0.000	0.000	0.000
483	A	1055	VAL	0	-0.015	-0.013	94.150	0.031	0.031	0.000	0.000	0.000	0.000
484	A	1056	ALA	0	0.004	-0.009	93.409	0.026	0.026	0.000	0.000	0.000	0.000
485	A	1057	TYR	0	0.032	0.017	88.285	-0.022	-0.022	0.000	0.000	0.000	0.000
486	A	1058	GLY	0	0.019	0.017	92.255	-0.020	-0.020	0.000	0.000	0.000	0.000
487	A	1059	SER	0	-0.053	-0.022	94.631	-0.040	-0.040	0.000	0.000	0.000	0.000
488	A	1060	SER	0	0.087	0.025	96.183	0.033	0.033	0.000	0.000	0.000	0.000
489	A	1061	ASN	0	-0.013	-0.005	98.384	0.014	0.014	0.000	0.000	0.000	0.000
490	A	1062	PRO	0	0.037	0.029	97.348	0.037	0.037	0.000	0.000	0.000	0.000
491	A	1063	LYS	1	0.897	0.945	91.999	-3.524	-3.524	0.000	0.000	0.000	0.000
492	A	1064	ARG	1	0.825	0.902	95.904	-3.350	-3.350	0.000	0.000	0.000	0.000
493	A	1065	SER	0	0.015	0.001	99.962	0.015	0.015	0.000	0.000	0.000	0.000
494	A	1066	GLU	-1	-0.834	-0.903	100.448	3.152	3.152	0.000	0.000	0.000	0.000
495	A	1067	PRO	0	-0.011	-0.009	95.617	0.015	0.015	0.000	0.000	0.000	0.000
496	A	1068	ASP	-1	-0.790	-0.886	93.826	3.394	3.394	0.000	0.000	0.000	0.000
497	A	1069	LEU	0	0.045	0.013	94.105	0.047	0.047	0.000	0.000	0.000	0.000
498	A	1070	ASN	0	-0.089	-0.033	92.683	0.046	0.046	0.000	0.000	0.000	0.000
499	A	1071	ILE	0	-0.002	0.002	88.781	0.032	0.032	0.000	0.000	0.000	0.000
500	A	1072	LEU	0	-0.002	-0.011	89.667	0.039	0.039	0.000	0.000	0.000	0.000
501	A	1073	LYS	1	0.853	0.934	91.067	-3.462	-3.462	0.000	0.000	0.000	0.000
502	A	1074	ASP	-1	-0.944	-0.962	85.078	3.811	3.811	0.000	0.000	0.000	0.000
503	A	1075	LEU	0	0.042	0.011	85.456	0.021	0.021	0.000	0.000	0.000	0.000
504	A	1076	ILE	0	-0.046	-0.016	87.997	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	1077	ASP	-1	-0.779	-0.888	90.179	3.465	3.465	0.000	0.000	0.000	0.000
506	A	1078	SER	0	0.029	0.030	83.868	0.032	0.032	0.000	0.000	0.000	0.000
507	A	1079	ASN	0	0.000	-0.012	83.966	-0.068	-0.068	0.000	0.000	0.000	0.000
508	A	1080	TYR	0	0.010	0.018	76.878	0.029	0.029	0.000	0.000	0.000	0.000
509	A	1081	VAL	0	0.033	0.015	81.239	-0.063	-0.063	0.000	0.000	0.000	0.000
510	A	1082	VAL	0	-0.005	0.008	83.528	0.023	0.023	0.000	0.000	0.000	0.000
511	A	1083	PHE	0	0.030	-0.005	86.012	0.006	0.006	0.000	0.000	0.000	0.000
512	A	1084	ASP	-1	-0.750	-0.839	82.330	3.887	3.887	0.000	0.000	0.000	0.000
513	A	1085	VAL	0	0.011	0.014	81.672	0.020	0.020	0.000	0.000	0.000	0.000
514	A	1086	LEU	0	-0.030	-0.019	85.108	-0.013	-0.013	0.000	0.000	0.000	0.000
515	A	1087	LEU	0	0.026	0.010	88.307	-0.027	-0.027	0.000	0.000	0.000	0.000
516	A	1088	GLN	0	0.047	0.044	83.163	-0.032	-0.032	0.000	0.000	0.000	0.000
517	A	1089	PHE	0	-0.047	-0.039	84.402	0.005	0.005	0.000	0.000	0.000	0.000
518	A	1090	LEU	0	-0.014	-0.017	90.367	-0.029	-0.029	0.000	0.000	0.000	0.000
519	A	1091	THR	0	0.049	0.033	91.730	-0.035	-0.035	0.000	0.000	0.000	0.000
520	A	1092	HIS	0	-0.103	-0.049	88.016	0.012	0.012	0.000	0.000	0.000	0.000
521	A	1093	GLN	0	0.026	0.008	90.906	-0.036	-0.036	0.000	0.000	0.000	0.000
522	A	1094	ASP	-1	-0.867	-0.931	92.720	3.410	3.410	0.000	0.000	0.000	0.000
523	A	1095	PRO	0	0.080	0.030	94.341	0.015	0.015	0.000	0.000	0.000	0.000
524	A	1096	VAL	0	-0.013	-0.005	95.770	-0.015	-0.015	0.000	0.000	0.000	0.000
525	A	1097	VAL	0	-0.025	-0.019	90.078	0.010	0.010	0.000	0.000	0.000	0.000
526	A	1098	THR	0	0.011	0.009	93.395	0.020	0.020	0.000	0.000	0.000	0.000
527	A	1099	ALA	0	0.019	0.010	95.120	-0.005	-0.005	0.000	0.000	0.000	0.000
528	A	1100	ALA	0	-0.014	-0.012	93.270	-0.011	-0.011	0.000	0.000	0.000	0.000
529	A	1101	ALA	0	0.013	0.001	91.994	0.012	0.012	0.000	0.000	0.000	0.000
530	A	1102	ALA	0	0.049	0.019	93.267	0.006	0.006	0.000	0.000	0.000	0.000
531	A	1103	GLN	0	-0.022	-0.009	96.220	-0.011	-0.011	0.000	0.000	0.000	0.000
532	A	1104	VAL	0	-0.019	-0.016	90.257	-0.004	-0.004	0.000	0.000	0.000	0.000
533	A	1105	TYR	0	0.001	-0.011	92.726	0.015	0.015	0.000	0.000	0.000	0.000
534	A	1106	ILE	0	0.051	0.024	94.575	0.000	0.000	0.000	0.000	0.000	0.000
535	A	1107	ARG	1	0.890	0.937	96.117	-3.233	-3.233	0.000	0.000	0.000	0.000
536	A	1108	ARG	1	0.782	0.900	86.566	-3.665	-3.665	0.000	0.000	0.000	0.000
537	A	1109	ALA	0	-0.024	-0.011	94.336	0.011	0.011	0.000	0.000	0.000	0.000
538	A	1110	TYR	0	0.024	-0.011	96.074	-0.013	-0.013	0.000	0.000	0.000	0.000
539	A	1111	ARG	1	0.745	0.833	94.463	-3.396	-3.396	0.000	0.000	0.000	0.000
540	A	1112	ALA	0	-0.009	-0.014	97.384	-0.003	-0.003	0.000	0.000	0.000	0.000
541	A	1113	TYR	0	-0.060	-0.029	99.017	-0.039	-0.039	0.000	0.000	0.000	0.000
542	A	1114	THR	0	-0.007	0.009	102.237	0.007	0.007	0.000	0.000	0.000	0.000
543	A	1115	ILE	0	-0.020	-0.029	100.338	-0.010	-0.010	0.000	0.000	0.000	0.000
544	A	1116	GLY	0	0.010	0.011	104.864	-0.009	-0.009	0.000	0.000	0.000	0.000
545	A	1117	ASP	-1	-0.849	-0.896	105.812	2.990	2.990	0.000	0.000	0.000	0.000
546	A	1118	ILE	0	-0.022	-0.031	100.955	0.009	0.009	0.000	0.000	0.000	0.000
547	A	1119	ARG	1	0.707	0.798	104.950	-2.963	-2.963	0.000	0.000	0.000	0.000
548	A	1120	VAL	0	0.006	-0.002	102.154	0.020	0.020	0.000	0.000	0.000	0.000
549	A	1121	HIS	0	-0.011	-0.009	105.349	-0.030	-0.030	0.000	0.000	0.000	0.000
550	A	1122	GLU	-1	-0.896	-0.957	103.277	3.166	3.166	0.000	0.000	0.000	0.000
551	A	1123	GLY	0	0.013	0.011	106.528	-0.018	-0.018	0.000	0.000	0.000	0.000
552	A	1124	VAL	0	-0.057	-0.051	102.716	0.021	0.021	0.000	0.000	0.000	0.000
553	A	1125	THR	0	-0.049	-0.020	101.691	0.030	0.030	0.000	0.000	0.000	0.000
554	A	1126	VAL	0	0.025	0.013	100.915	0.031	0.031	0.000	0.000	0.000	0.000
555	A	1127	PRO	0	-0.031	-0.002	99.865	-0.028	-0.028	0.000	0.000	0.000	0.000
556	A	1128	ILE	0	0.029	0.032	102.245	0.015	0.015	0.000	0.000	0.000	0.000
557	A	1129	VAL	0	-0.019	-0.012	100.411	-0.016	-0.016	0.000	0.000	0.000	0.000
558	A	1130	GLU	-1	-0.733	-0.815	103.683	2.950	2.950	0.000	0.000	0.000	0.000
559	A	1131	TRP	0	-0.017	-0.008	102.664	0.013	0.013	0.000	0.000	0.000	0.000
560	A	1132	LYS	1	0.895	0.924	106.014	-2.927	-2.927	0.000	0.000	0.000	0.000
561	A	1133	PHE	0	-0.050	-0.028	104.643	0.030	0.030	0.000	0.000	0.000	0.000
562	A	1134	GLN	0	0.010	-0.003	106.815	-0.046	-0.046	0.000	0.000	0.000	0.000
563	A	1135	LEU	0	0.016	0.007	104.559	0.028	0.028	0.000	0.000	0.000	0.000
564	A	1136	PRO	0	0.065	0.029	102.611	-0.026	-0.026	0.000	0.000	0.000	0.000
565	A	1137	SER	0	-0.059	-0.014	105.407	-0.009	-0.009	0.000	0.000	0.000	0.000
566	A	1138	ALA	0	-0.038	-0.010	108.402	-0.042	-0.042	0.000	0.000	0.000	0.000
567	A	1154	ARG	1	0.826	0.909	89.661	-3.560	-3.560	0.000	0.000	0.000	0.000
568	A	1155	ALA	0	0.029	-0.001	93.426	0.005	0.005	0.000	0.000	0.000	0.000
569	A	1156	VAL	0	-0.003	0.013	95.508	0.011	0.011	0.000	0.000	0.000	0.000
570	A	1157	SER	0	-0.015	-0.020	96.338	-0.007	-0.007	0.000	0.000	0.000	0.000
571	A	1158	VAL	0	0.043	0.002	97.810	-0.030	-0.030	0.000	0.000	0.000	0.000
572	A	1159	SER	0	-0.036	-0.027	99.787	-0.023	-0.023	0.000	0.000	0.000	0.000
573	A	1160	ASP	-1	-0.784	-0.826	97.963	3.286	3.286	0.000	0.000	0.000	0.000
574	A	1161	LEU	0	-0.093	-0.033	101.568	-0.052	-0.052	0.000	0.000	0.000	0.000
575	A	1171	PRO	0	-0.031	-0.040	116.718	-0.004	-0.004	0.000	0.000	0.000	0.000
576	A	1172	LEU	0	-0.031	0.009	109.936	0.016	0.016	0.000	0.000	0.000	0.000
577	A	1173	ARG	1	0.865	0.943	108.125	-2.994	-2.994	0.000	0.000	0.000	0.000
578	A	1174	GLU	-1	-0.822	-0.905	108.665	2.905	2.905	0.000	0.000	0.000	0.000
579	A	1175	GLY	0	0.014	-0.011	106.204	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	1176	ILE	0	0.034	0.034	105.182	0.004	0.004	0.000	0.000	0.000	0.000
581	A	1177	LEU	0	-0.047	-0.020	97.640	0.019	0.019	0.000	0.000	0.000	0.000
582	A	1178	MET	0	-0.008	0.010	101.259	-0.009	-0.009	0.000	0.000	0.000	0.000
583	A	1179	ALA	0	-0.037	-0.022	96.659	0.034	0.034	0.000	0.000	0.000	0.000
584	A	1180	VAL	0	0.005	0.013	96.975	-0.029	-0.029	0.000	0.000	0.000	0.000
585	A	1181	ASP	-1	-0.882	-0.940	93.788	3.478	3.478	0.000	0.000	0.000	0.000
586	A	1182	HIS	0	-0.071	-0.055	93.897	0.026	0.026	0.000	0.000	0.000	0.000
587	A	1183	LEU	0	-0.011	-0.012	96.027	-0.033	-0.033	0.000	0.000	0.000	0.000
588	A	1184	ASP	-1	-0.813	-0.906	97.965	3.214	3.214	0.000	0.000	0.000	0.000
589	A	1185	ASP	-1	-0.861	-0.926	98.678	3.253	3.253	0.000	0.000	0.000	0.000
590	A	1186	VAL	0	-0.055	-0.037	100.288	-0.031	-0.031	0.000	0.000	0.000	0.000
591	A	1187	ASP	-1	-0.865	-0.927	102.966	3.071	3.071	0.000	0.000	0.000	0.000
592	A	1188	GLU	-1	-0.912	-0.955	106.332	2.944	2.944	0.000	0.000	0.000	0.000
593	A	1189	ILE	0	-0.021	-0.008	102.547	-0.023	-0.023	0.000	0.000	0.000	0.000
594	A	1190	LEU	0	-0.051	-0.017	105.215	-0.017	-0.017	0.000	0.000	0.000	0.000
595	A	1191	SER	0	0.006	0.004	107.378	-0.025	-0.025	0.000	0.000	0.000	0.000
596	A	1192	GLN	0	-0.031	-0.012	110.246	-0.022	-0.022	0.000	0.000	0.000	0.000
597	A	1193	SER	0	-0.029	-0.037	107.493	-0.008	-0.008	0.000	0.000	0.000	0.000
598	A	1194	LEU	0	-0.037	-0.032	109.356	-0.003	-0.003	0.000	0.000	0.000	0.000
599	A	1195	GLU	-1	-0.882	-0.934	111.508	2.781	2.781	0.000	0.000	0.000	0.000
600	A	1196	VAL	0	-0.055	-0.013	109.653	-0.018	-0.018	0.000	0.000	0.000	0.000
601	A	1197	ILE	0	-0.138	-0.054	110.878	-0.033	-0.033	0.000	0.000	0.000	0.000
602	A	1218	LEU	0	0.010	-0.001	111.992	-0.002	-0.002	0.000	0.000	0.000	0.000
603	A	1219	SER	0	-0.101	-0.044	111.345	0.014	0.014	0.000	0.000	0.000	0.000
604	A	1220	ASN	0	0.122	0.078	109.582	0.041	0.041	0.000	0.000	0.000	0.000
605	A	1221	VAL	0	-0.060	-0.038	103.330	0.009	0.009	0.000	0.000	0.000	0.000
606	A	1222	ALA	0	0.057	0.042	104.693	-0.014	-0.014	0.000	0.000	0.000	0.000
607	A	1223	ASN	0	-0.054	-0.050	98.496	0.000	0.000	0.000	0.000	0.000	0.000
608	A	1224	VAL	0	0.070	0.036	99.555	-0.011	-0.011	0.000	0.000	0.000	0.000
609	A	1225	CYS	0	-0.023	-0.005	93.881	0.038	0.038	0.000	0.000	0.000	0.000
610	A	1226	VAL	0	-0.007	0.001	94.536	-0.023	-0.023	0.000	0.000	0.000	0.000
611	A	1227	ALA	0	-0.027	-0.012	90.928	0.038	0.038	0.000	0.000	0.000	0.000
612	A	1228	SER	0	0.000	0.000	90.253	0.052	0.052	0.000	0.000	0.000	0.000
613	A	1229	THR	0	0.032	0.003	91.337	-0.036	-0.036	0.000	0.000	0.000	0.000
614	A	1230	GLU	-1	-0.972	-0.979	88.817	3.634	3.634	0.000	0.000	0.000	0.000
615	A	1231	GLY	0	0.016	0.010	91.425	-0.039	-0.039	0.000	0.000	0.000	0.000
616	A	1232	PHE	0	-0.023	0.003	93.201	-0.026	-0.026	0.000	0.000	0.000	0.000
617	A	1233	GLU	-1	-0.945	-0.967	90.738	3.642	3.642	0.000	0.000	0.000	0.000
618	A	1234	SER	0	-0.089	-0.056	90.099	0.036	0.036	0.000	0.000	0.000	0.000
619	A	1235	GLU	-1	-0.754	-0.862	89.988	3.566	3.566	0.000	0.000	0.000	0.000
620	A	1236	GLU	-1	-0.912	-0.961	92.768	3.283	3.283	0.000	0.000	0.000	0.000
621	A	1237	GLU	-1	-0.846	-0.925	95.042	3.368	3.368	0.000	0.000	0.000	0.000
622	A	1238	ILE	0	0.006	0.008	92.669	-0.033	-0.033	0.000	0.000	0.000	0.000
623	A	1239	LEU	0	-0.035	-0.017	96.342	-0.036	-0.036	0.000	0.000	0.000	0.000
624	A	1240	VAL	0	-0.023	-0.004	98.973	-0.043	-0.043	0.000	0.000	0.000	0.000
625	A	1241	ARG	1	0.878	0.915	100.201	-3.207	-3.207	0.000	0.000	0.000	0.000
626	A	1242	LEU	0	-0.038	-0.011	98.117	-0.028	-0.028	0.000	0.000	0.000	0.000
627	A	1243	ARG	1	0.771	0.855	102.271	-3.084	-3.084	0.000	0.000	0.000	0.000
628	A	1244	GLU	-1	-0.899	-0.949	104.394	3.063	3.063	0.000	0.000	0.000	0.000
629	A	1245	ILE	0	0.035	0.023	102.428	-0.034	-0.034	0.000	0.000	0.000	0.000
630	A	1246	LEU	0	-0.039	-0.021	104.074	-0.034	-0.034	0.000	0.000	0.000	0.000
631	A	1247	ASP	-1	-0.853	-0.920	107.799	2.940	2.940	0.000	0.000	0.000	0.000
632	A	1248	LEU	0	-0.017	0.008	109.013	-0.040	-0.040	0.000	0.000	0.000	0.000
633	A	1249	ASN	0	-0.023	-0.029	108.793	-0.043	-0.043	0.000	0.000	0.000	0.000
634	A	1250	LYS	1	0.820	0.911	111.607	-2.916	-2.916	0.000	0.000	0.000	0.000
635	A	1251	GLN	0	-0.007	-0.012	113.058	-0.014	-0.014	0.000	0.000	0.000	0.000
636	A	1252	GLU	-1	-0.762	-0.871	113.451	2.769	2.769	0.000	0.000	0.000	0.000
637	A	1253	LEU	0	-0.020	0.001	108.416	0.009	0.009	0.000	0.000	0.000	0.000
638	A	1254	ILE	0	-0.052	-0.027	112.247	0.003	0.003	0.000	0.000	0.000	0.000
639	A	1255	ASN	0	-0.050	-0.035	115.224	-0.023	-0.023	0.000	0.000	0.000	0.000
640	A	1256	ALA	0	0.049	0.046	112.161	-0.009	-0.009	0.000	0.000	0.000	0.000
641	A	1257	SER	0	-0.066	-0.049	113.304	0.017	0.017	0.000	0.000	0.000	0.000
642	A	1258	ILE	0	0.029	0.013	107.854	0.014	0.014	0.000	0.000	0.000	0.000
643	A	1259	ARG	1	0.830	0.913	107.860	-2.926	-2.926	0.000	0.000	0.000	0.000
644	A	1260	ARG	1	0.817	0.891	99.742	-3.200	-3.200	0.000	0.000	0.000	0.000
645	A	1261	ILE	0	0.047	0.038	103.553	-0.005	-0.005	0.000	0.000	0.000	0.000
646	A	1262	THR	0	-0.040	-0.032	97.593	0.002	0.002	0.000	0.000	0.000	0.000
647	A	1263	PHE	0	0.079	0.046	98.091	0.003	0.003	0.000	0.000	0.000	0.000
648	A	1264	MET	0	-0.068	-0.029	94.102	0.027	0.027	0.000	0.000	0.000	0.000
649	A	1265	PHE	0	0.078	0.049	91.198	-0.008	-0.008	0.000	0.000	0.000	0.000
650	A	1266	GLY	0	0.004	-0.011	88.210	0.028	0.028	0.000	0.000	0.000	0.000
651	A	1267	PHE	0	0.010	0.020	84.293	-0.014	-0.014	0.000	0.000	0.000	0.000
652	A	1268	LYS	1	0.876	0.923	82.876	-3.751	-3.751	0.000	0.000	0.000	0.000
653	A	1269	ASP	-1	-0.803	-0.877	78.819	4.023	4.023	0.000	0.000	0.000	0.000
654	A	1270	GLY	0	-0.009	-0.012	77.721	-0.024	-0.024	0.000	0.000	0.000	0.000
655	A	1271	SER	0	-0.034	-0.013	78.766	-0.008	-0.008	0.000	0.000	0.000	0.000
656	A	1272	TYR	0	-0.043	-0.026	81.387	0.019	0.019	0.000	0.000	0.000	0.000
657	A	1273	PRO	0	0.001	0.018	84.185	-0.008	-0.008	0.000	0.000	0.000	0.000
658	A	1274	LYS	1	0.825	0.904	87.031	-3.675	-3.675	0.000	0.000	0.000	0.000
659	A	1275	TYR	0	-0.003	-0.017	90.610	-0.005	-0.005	0.000	0.000	0.000	0.000
660	A	1276	TYR	0	0.004	-0.014	92.187	0.014	0.014	0.000	0.000	0.000	0.000
661	A	1277	THR	0	0.001	0.009	97.253	-0.027	-0.027	0.000	0.000	0.000	0.000
662	A	1278	PHE	0	0.020	0.021	100.145	-0.008	-0.008	0.000	0.000	0.000	0.000
663	A	1279	ASN	0	-0.001	-0.022	103.686	-0.003	-0.003	0.000	0.000	0.000	0.000
664	A	1280	GLY	0	-0.020	-0.010	106.316	-0.010	-0.010	0.000	0.000	0.000	0.000
665	A	1281	PRO	0	0.040	0.014	110.124	0.007	0.007	0.000	0.000	0.000	0.000
666	A	1282	ASN	0	-0.020	-0.016	111.695	-0.012	-0.012	0.000	0.000	0.000	0.000
667	A	1283	TYR	0	0.038	0.015	107.255	0.013	0.013	0.000	0.000	0.000	0.000
668	A	1284	ASN	0	0.019	0.021	105.417	0.033	0.033	0.000	0.000	0.000	0.000
669	A	1285	GLU	-1	-0.739	-0.843	97.459	3.325	3.325	0.000	0.000	0.000	0.000
670	A	1286	ASN	0	-0.016	0.014	100.938	0.003	0.003	0.000	0.000	0.000	0.000
671	A	1287	GLU	-1	-0.790	-0.892	96.751	3.347	3.347	0.000	0.000	0.000	0.000
672	A	1288	THR	0	-0.112	-0.072	95.815	0.039	0.039	0.000	0.000	0.000	0.000
673	A	1289	ILE	0	-0.085	-0.051	95.462	0.023	0.023	0.000	0.000	0.000	0.000
674	A	1290	ARG	1	0.809	0.871	93.195	-3.381	-3.381	0.000	0.000	0.000	0.000
675	A	1291	HIS	0	-0.058	-0.037	89.481	0.028	0.028	0.000	0.000	0.000	0.000
676	A	1292	ILE	0	-0.041	-0.013	90.312	0.043	0.043	0.000	0.000	0.000	0.000
677	A	1293	GLU	-1	-0.669	-0.808	92.665	3.270	3.270	0.000	0.000	0.000	0.000
678	A	1294	PRO	0	-0.002	-0.011	95.263	0.006	0.006	0.000	0.000	0.000	0.000
679	A	1295	ALA	0	-0.006	0.009	97.819	-0.011	-0.011	0.000	0.000	0.000	0.000
680	A	1296	LEU	0	0.001	-0.006	91.442	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	1297	ALA	0	0.013	0.007	94.763	0.016	0.016	0.000	0.000	0.000	0.000
682	A	1298	PHE	0	-0.033	-0.021	95.966	-0.005	-0.005	0.000	0.000	0.000	0.000
683	A	1299	GLN	0	-0.015	-0.011	94.671	0.029	0.029	0.000	0.000	0.000	0.000
684	A	1300	LEU	0	0.020	0.024	90.419	0.030	0.030	0.000	0.000	0.000	0.000
685	A	1301	GLU	-1	-0.782	-0.855	94.309	3.287	3.287	0.000	0.000	0.000	0.000
686	A	1302	LEU	0	0.019	0.016	92.881	-0.016	-0.016	0.000	0.000	0.000	0.000
687	A	1303	GLY	0	0.017	0.016	96.708	-0.003	-0.003	0.000	0.000	0.000	0.000
688	A	1304	ARG	1	0.794	0.871	97.500	-3.299	-3.299	0.000	0.000	0.000	0.000
689	A	1305	LEU	0	0.023	0.009	93.484	0.009	0.009	0.000	0.000	0.000	0.000
690	A	1306	SER	0	0.018	0.009	97.323	0.010	0.010	0.000	0.000	0.000	0.000
691	A	1307	ASN	0	-0.057	-0.038	99.412	-0.036	-0.036	0.000	0.000	0.000	0.000
692	A	1308	PHE	0	-0.014	-0.012	94.703	0.004	0.004	0.000	0.000	0.000	0.000
693	A	1309	ASN	0	-0.043	-0.018	94.975	-0.054	-0.054	0.000	0.000	0.000	0.000
694	A	1310	ILE	0	-0.007	-0.012	92.193	0.034	0.034	0.000	0.000	0.000	0.000
695	A	1311	LYS	1	0.902	0.939	86.237	-3.724	-3.724	0.000	0.000	0.000	0.000
696	A	1312	PRO	0	0.004	0.000	88.419	0.029	0.029	0.000	0.000	0.000	0.000
697	A	1313	ILE	0	-0.039	-0.015	82.004	0.017	0.017	0.000	0.000	0.000	0.000
698	A	1314	PHE	0	0.005	-0.004	82.456	0.005	0.005	0.000	0.000	0.000	0.000
699	A	1315	THR	0	-0.017	-0.021	78.147	0.015	0.015	0.000	0.000	0.000	0.000
700	A	1316	ASP	-1	-0.898	-0.946	73.711	4.295	4.295	0.000	0.000	0.000	0.000
701	A	1317	ASN	0	-0.024	-0.003	77.077	-0.060	-0.060	0.000	0.000	0.000	0.000
702	A	1318	ARG	1	0.841	0.882	79.183	-4.041	-4.041	0.000	0.000	0.000	0.000
703	A	1319	ASN	0	-0.022	-0.016	81.030	-0.091	-0.091	0.000	0.000	0.000	0.000
704	A	1320	ILE	0	-0.056	-0.012	80.030	-0.060	-0.060	0.000	0.000	0.000	0.000
705	A	1321	HIS	1	0.879	0.941	84.272	-3.702	-3.702	0.000	0.000	0.000	0.000
706	A	1322	VAL	0	0.057	0.041	82.210	-0.037	-0.037	0.000	0.000	0.000	0.000
707	A	1323	TYR	0	0.012	0.003	85.667	-0.008	-0.008	0.000	0.000	0.000	0.000
708	A	1324	GLU	-1	-0.797	-0.863	85.488	3.748	3.748	0.000	0.000	0.000	0.000
709	A	1325	ALA	0	-0.012	-0.014	88.024	-0.044	-0.044	0.000	0.000	0.000	0.000
710	A	1326	VAL	0	0.026	0.010	90.442	0.029	0.029	0.000	0.000	0.000	0.000
711	A	1327	SER	0	0.023	0.022	92.909	-0.049	-0.049	0.000	0.000	0.000	0.000
712	A	1328	LYS	1	0.884	0.944	96.260	-3.228	-3.228	0.000	0.000	0.000	0.000
713	A	1329	THR	0	-0.010	0.005	99.083	-0.018	-0.018	0.000	0.000	0.000	0.000
714	A	1330	SER	0	0.030	0.012	96.338	0.003	0.003	0.000	0.000	0.000	0.000
715	A	1331	PRO	0	0.019	0.006	92.699	0.016	0.016	0.000	0.000	0.000	0.000
716	A	1332	LEU	0	0.002	-0.008	90.670	0.046	0.046	0.000	0.000	0.000	0.000
717	A	1333	ASP	-1	-0.776	-0.858	90.859	3.474	3.474	0.000	0.000	0.000	0.000
718	A	1334	LYS	1	0.888	0.956	83.969	-3.824	-3.824	0.000	0.000	0.000	0.000
719	A	1335	ARG	1	0.729	0.831	88.122	-3.426	-3.426	0.000	0.000	0.000	0.000
720	A	1336	PHE	0	0.053	0.017	83.666	0.001	0.001	0.000	0.000	0.000	0.000
721	A	1337	PHE	0	-0.005	0.005	87.080	0.007	0.007	0.000	0.000	0.000	0.000
722	A	1338	THR	0	0.018	0.005	83.456	0.016	0.016	0.000	0.000	0.000	0.000
723	A	1339	ARG	1	0.802	0.898	86.736	-3.480	-3.480	0.000	0.000	0.000	0.000
724	A	1340	GLY	0	0.040	0.007	87.178	0.033	0.033	0.000	0.000	0.000	0.000
725	A	1341	ILE	0	-0.047	-0.021	88.083	-0.041	-0.041	0.000	0.000	0.000	0.000
726	A	1342	ILE	0	-0.012	0.006	86.542	0.048	0.048	0.000	0.000	0.000	0.000
727	A	1343	ARG	1	0.836	0.939	88.822	-3.591	-3.591	0.000	0.000	0.000	0.000
728	A	1344	THR	0	0.047	0.002	88.714	0.033	0.033	0.000	0.000	0.000	0.000
729	A	1345	GLY	0	0.045	0.044	88.751	-0.037	-0.037	0.000	0.000	0.000	0.000
730	A	1346	HIS	0	0.010	-0.003	87.862	-0.084	-0.084	0.000	0.000	0.000	0.000
731	A	1347	ILE	0	0.006	0.013	87.491	0.044	0.044	0.000	0.000	0.000	0.000
732	A	1348	ARG	1	0.854	0.905	81.649	-3.908	-3.908	0.000	0.000	0.000	0.000
733	A	1349	ASP	-1	-0.823	-0.926	87.462	3.516	3.516	0.000	0.000	0.000	0.000
734	A	1350	ASP	-1	-0.878	-0.910	83.264	3.811	3.811	0.000	0.000	0.000	0.000
735	A	1351	ILE	0	-0.023	0.008	83.389	0.029	0.029	0.000	0.000	0.000	0.000
736	A	1352	SER	0	0.003	-0.039	86.413	-0.057	-0.057	0.000	0.000	0.000	0.000
737	A	1353	ILE	0	0.020	-0.003	88.510	0.034	0.034	0.000	0.000	0.000	0.000
738	A	1354	GLN	0	0.002	0.005	88.802	0.055	0.055	0.000	0.000	0.000	0.000
739	A	1355	GLU	-1	-0.783	-0.836	84.255	3.793	3.793	0.000	0.000	0.000	0.000
740	A	1356	TYR	0	-0.042	-0.031	84.817	0.026	0.026	0.000	0.000	0.000	0.000
741	A	1357	LEU	0	0.002	-0.002	85.917	0.030	0.030	0.000	0.000	0.000	0.000
742	A	1358	THR	0	0.023	-0.003	83.023	0.022	0.022	0.000	0.000	0.000	0.000
743	A	1359	SER	0	-0.059	-0.043	81.147	0.042	0.042	0.000	0.000	0.000	0.000
744	A	1360	GLU	-1	-0.771	-0.852	81.598	3.899	3.899	0.000	0.000	0.000	0.000
745	A	1361	ALA	0	0.033	0.015	83.469	0.015	0.015	0.000	0.000	0.000	0.000
746	A	1362	ASN	0	-0.076	-0.068	79.731	0.063	0.063	0.000	0.000	0.000	0.000
747	A	1363	ARG	1	0.836	0.921	78.130	-3.909	-3.909	0.000	0.000	0.000	0.000
748	A	1364	LEU	0	0.029	-0.003	79.419	0.033	0.033	0.000	0.000	0.000	0.000
749	A	1365	MET	0	-0.015	0.007	81.079	-0.011	-0.011	0.000	0.000	0.000	0.000
750	A	1366	SER	0	-0.033	-0.009	75.664	0.009	0.009	0.000	0.000	0.000	0.000
751	A	1367	ASP	-1	-0.799	-0.896	77.283	4.112	4.112	0.000	0.000	0.000	0.000
752	A	1368	ILE	0	-0.020	-0.012	78.468	0.015	0.015	0.000	0.000	0.000	0.000
753	A	1369	LEU	0	-0.031	-0.016	77.474	0.007	0.007	0.000	0.000	0.000	0.000
754	A	1370	ASP	-1	-0.834	-0.906	73.448	4.387	4.387	0.000	0.000	0.000	0.000
755	A	1371	ASN	0	-0.027	-0.014	75.047	0.026	0.026	0.000	0.000	0.000	0.000
756	A	1372	LEU	0	0.015	0.003	77.507	0.000	0.000	0.000	0.000	0.000	0.000
757	A	1373	GLU	-1	-0.828	-0.885	72.853	4.341	4.341	0.000	0.000	0.000	0.000
758	A	1374	VAL	0	-0.029	-0.006	72.131	0.067	0.067	0.000	0.000	0.000	0.000
759	A	1375	THR	0	-0.041	-0.012	74.642	-0.013	-0.013	0.000	0.000	0.000	0.000
760	A	1376	ASP	-1	-0.842	-0.899	77.562	4.049	4.049	0.000	0.000	0.000	0.000
761	A	1377	THR	0	0.003	0.007	78.795	-0.046	-0.046	0.000	0.000	0.000	0.000
762	A	1378	SER	0	-0.031	-0.027	78.991	-0.020	-0.020	0.000	0.000	0.000	0.000
763	A	1379	ASN	0	-0.102	-0.058	80.574	0.009	0.009	0.000	0.000	0.000	0.000
764	A	1380	SER	0	-0.013	-0.019	83.152	-0.062	-0.062	0.000	0.000	0.000	0.000
765	A	1381	ASP	-1	-0.862	-0.921	85.284	3.635	3.635	0.000	0.000	0.000	0.000
766	A	1382	LEU	0	0.002	0.000	87.282	0.009	0.009	0.000	0.000	0.000	0.000
767	A	1383	ASN	0	0.019	0.005	83.534	-0.070	-0.070	0.000	0.000	0.000	0.000
768	A	1384	HIS	0	-0.015	-0.008	87.403	-0.002	-0.002	0.000	0.000	0.000	0.000
769	A	1385	ILE	0	0.023	0.015	83.409	0.033	0.033	0.000	0.000	0.000	0.000
770	A	1386	PHE	0	-0.043	-0.013	87.804	-0.032	-0.032	0.000	0.000	0.000	0.000
771	A	1387	ILE	0	0.028	0.008	85.639	0.032	0.032	0.000	0.000	0.000	0.000
772	A	1388	ASN	0	-0.011	-0.007	89.911	-0.049	-0.049	0.000	0.000	0.000	0.000
773	A	1389	PHE	0	0.010	-0.005	87.874	0.024	0.024	0.000	0.000	0.000	0.000
774	A	1390	ILE	0	-0.022	-0.015	92.674	-0.041	-0.041	0.000	0.000	0.000	0.000
775	A	1391	ALA	0	-0.037	-0.004	94.051	-0.038	-0.038	0.000	0.000	0.000	0.000
776	A	1392	VAL	0	-0.004	-0.006	95.862	-0.004	-0.004	0.000	0.000	0.000	0.000
777	A	1393	PHE	0	-0.014	-0.025	91.651	0.012	0.012	0.000	0.000	0.000	0.000
778	A	1394	ASP	-1	-0.898	-0.933	96.846	3.183	3.183	0.000	0.000	0.000	0.000
779	A	1395	ILE	0	-0.011	-0.009	93.132	0.028	0.028	0.000	0.000	0.000	0.000
780	A	1396	SER	0	0.001	-0.013	97.294	-0.012	-0.012	0.000	0.000	0.000	0.000
781	A	1397	PRO	0	0.037	-0.004	97.222	0.036	0.036	0.000	0.000	0.000	0.000
782	A	1398	GLU	-1	-0.846	-0.911	96.848	3.263	3.263	0.000	0.000	0.000	0.000
783	A	1399	ASP	-1	-0.840	-0.912	93.312	3.502	3.502	0.000	0.000	0.000	0.000
784	A	1400	VAL	0	-0.015	-0.014	92.515	0.048	0.048	0.000	0.000	0.000	0.000
785	A	1401	GLU	-1	-0.775	-0.857	92.278	3.423	3.423	0.000	0.000	0.000	0.000
786	A	1402	ALA	0	-0.034	-0.010	90.601	0.041	0.041	0.000	0.000	0.000	0.000
787	A	1403	ALA	0	0.001	0.010	88.066	0.048	0.048	0.000	0.000	0.000	0.000
788	A	1404	PHE	0	-0.043	-0.030	87.002	0.047	0.047	0.000	0.000	0.000	0.000
789	A	1405	GLY	0	0.029	0.017	87.196	0.000	0.000	0.000	0.000	0.000	0.000
790	A	1406	GLY	0	0.033	0.010	83.061	0.030	0.030	0.000	0.000	0.000	0.000
791	A	1407	PHE	0	-0.008	-0.010	82.150	0.059	0.059	0.000	0.000	0.000	0.000
792	A	1408	LEU	0	0.012	-0.014	82.600	0.042	0.042	0.000	0.000	0.000	0.000
793	A	1409	GLU	-1	-0.976	-0.976	79.347	4.008	4.008	0.000	0.000	0.000	0.000
794	A	1410	ARG	1	0.917	0.974	76.745	-4.079	-4.079	0.000	0.000	0.000	0.000
795	A	1411	PHE	0	0.027	0.010	77.379	0.064	0.064	0.000	0.000	0.000	0.000
796	A	1412	GLY	0	0.079	0.052	79.412	0.010	0.010	0.000	0.000	0.000	0.000
797	A	1413	LYS	1	0.909	0.939	72.914	-4.330	-4.330	0.000	0.000	0.000	0.000
798	A	1414	ARG	1	0.731	0.839	73.585	-4.266	-4.266	0.000	0.000	0.000	0.000
799	A	1415	LEU	0	0.062	0.027	77.398	-0.010	-0.010	0.000	0.000	0.000	0.000
800	A	1416	LEU	0	-0.004	0.000	79.897	-0.023	-0.023	0.000	0.000	0.000	0.000
801	A	1417	ARG	1	0.789	0.879	72.497	-4.358	-4.358	0.000	0.000	0.000	0.000
802	A	1418	LEU	0	0.011	0.015	76.851	-0.002	-0.002	0.000	0.000	0.000	0.000
803	A	1419	ARG	1	0.931	0.975	80.144	-3.961	-3.961	0.000	0.000	0.000	0.000
804	A	1420	VAL	0	-0.004	0.006	82.771	-0.052	-0.052	0.000	0.000	0.000	0.000
805	A	1421	SER	0	-0.005	0.002	85.125	-0.010	-0.010	0.000	0.000	0.000	0.000
806	A	1422	SER	0	-0.016	-0.015	88.169	-0.029	-0.029	0.000	0.000	0.000	0.000
807	A	1423	ALA	0	-0.004	0.003	87.626	0.030	0.030	0.000	0.000	0.000	0.000
808	A	1424	GLU	-1	-0.773	-0.851	89.735	3.312	3.312	0.000	0.000	0.000	0.000
809	A	1425	ILE	0	0.003	0.019	88.357	0.019	0.019	0.000	0.000	0.000	0.000
810	A	1426	ARG	1	0.796	0.874	92.228	-3.306	-3.306	0.000	0.000	0.000	0.000
811	A	1427	ILE	0	0.028	0.021	92.074	0.037	0.037	0.000	0.000	0.000	0.000
812	A	1428	ILE	0	0.002	0.006	95.867	-0.044	-0.044	0.000	0.000	0.000	0.000
813	A	1429	ILE	0	0.012	0.019	97.768	0.033	0.033	0.000	0.000	0.000	0.000
814	A	1430	LYS	1	0.875	0.914	99.047	-3.265	-3.265	0.000	0.000	0.000	0.000
815	A	1431	ASP	-1	-0.761	-0.852	102.806	2.998	2.998	0.000	0.000	0.000	0.000
816	A	1432	PRO	0	-0.020	-0.010	103.988	-0.013	-0.013	0.000	0.000	0.000	0.000
817	A	1433	GLN	0	-0.112	-0.062	105.878	-0.037	-0.037	0.000	0.000	0.000	0.000
818	A	1434	THR	0	-0.065	-0.064	109.141	-0.024	-0.024	0.000	0.000	0.000	0.000
819	A	1435	GLY	0	-0.004	0.007	106.124	-0.009	-0.009	0.000	0.000	0.000	0.000
820	A	1436	ALA	0	-0.010	0.002	106.000	0.022	0.022	0.000	0.000	0.000	0.000
821	A	1437	PRO	0	0.004	0.003	103.563	0.024	0.024	0.000	0.000	0.000	0.000
822	A	1438	VAL	0	-0.001	-0.008	103.345	-0.032	-0.032	0.000	0.000	0.000	0.000
823	A	1439	PRO	0	-0.022	-0.006	100.836	0.037	0.037	0.000	0.000	0.000	0.000
824	A	1440	LEU	0	-0.008	-0.005	98.135	-0.030	-0.030	0.000	0.000	0.000	0.000
825	A	1441	ARG	1	0.675	0.777	96.938	-3.243	-3.243	0.000	0.000	0.000	0.000
826	A	1442	ALA	0	0.078	0.033	93.236	-0.021	-0.021	0.000	0.000	0.000	0.000
827	A	1443	LEU	0	-0.026	0.002	93.377	0.035	0.035	0.000	0.000	0.000	0.000
828	A	1444	ILE	0	-0.006	-0.009	88.378	-0.010	-0.010	0.000	0.000	0.000	0.000
829	A	1445	ASN	0	0.012	0.002	90.201	0.035	0.035	0.000	0.000	0.000	0.000
830	A	1446	ASN	0	-0.016	-0.015	83.434	0.022	0.022	0.000	0.000	0.000	0.000
831	A	1447	VAL	0	0.031	0.015	87.140	0.003	0.003	0.000	0.000	0.000	0.000
832	A	1448	SER	0	-0.014	-0.013	83.151	0.012	0.012	0.000	0.000	0.000	0.000
833	A	1449	GLY	0	0.005	0.003	84.365	-0.015	-0.015	0.000	0.000	0.000	0.000
834	A	1450	TYR	0	-0.031	-0.010	85.238	-0.037	-0.037	0.000	0.000	0.000	0.000
835	A	1451	VAL	0	0.011	0.005	85.784	0.014	0.014	0.000	0.000	0.000	0.000
836	A	1452	ILE	0	-0.039	-0.015	88.349	-0.042	-0.042	0.000	0.000	0.000	0.000
837	A	1453	LYS	1	0.791	0.875	90.941	-3.347	-3.347	0.000	0.000	0.000	0.000
838	A	1454	THR	0	-0.008	-0.015	91.339	-0.019	-0.019	0.000	0.000	0.000	0.000
839	A	1455	GLU	-1	-0.780	-0.841	93.922	3.234	3.234	0.000	0.000	0.000	0.000
840	A	1456	MET	0	0.014	0.022	96.207	0.014	0.014	0.000	0.000	0.000	0.000
841	A	1457	TYR	0	-0.047	-0.056	98.486	-0.061	-0.061	0.000	0.000	0.000	0.000
842	A	1458	THR	0	-0.002	0.006	100.833	0.022	0.022	0.000	0.000	0.000	0.000
843	A	1459	GLU	-1	-0.768	-0.851	100.920	3.183	3.183	0.000	0.000	0.000	0.000
844	A	1460	VAL	0	-0.012	-0.028	105.072	-0.014	-0.014	0.000	0.000	0.000	0.000
845	A	1461	LYS	1	0.948	1.001	108.890	-2.850	-2.850	0.000	0.000	0.000	0.000
846	A	1462	ASN	0	0.016	-0.010	111.688	-0.034	-0.034	0.000	0.000	0.000	0.000
847	A	1463	ALA	0	0.038	0.000	114.580	-0.006	-0.006	0.000	0.000	0.000	0.000
848	A	1464	LYS	1	0.905	0.960	116.852	-2.724	-2.724	0.000	0.000	0.000	0.000
849	A	1465	GLY	0	-0.019	-0.007	115.731	-0.009	-0.009	0.000	0.000	0.000	0.000
850	A	1466	GLU	-1	-0.883	-0.931	111.074	2.907	2.907	0.000	0.000	0.000	0.000
851	A	1467	TRP	0	-0.005	0.000	107.371	-0.007	-0.007	0.000	0.000	0.000	0.000
852	A	1468	VAL	0	-0.031	-0.011	107.897	0.013	0.013	0.000	0.000	0.000	0.000
853	A	1469	PHE	0	0.024	0.018	101.114	0.007	0.007	0.000	0.000	0.000	0.000
854	A	1470	LYS	1	0.992	0.988	105.074	-2.969	-2.969	0.000	0.000	0.000	0.000
855	A	1471	SER	0	0.006	0.009	102.774	0.017	0.017	0.000	0.000	0.000	0.000
856	A	1472	LEU	0	-0.027	-0.006	100.926	-0.031	-0.031	0.000	0.000	0.000	0.000
857	A	1473	GLY	0	0.010	0.010	101.984	-0.021	-0.021	0.000	0.000	0.000	0.000
858	A	1474	LYS	1	0.914	0.936	100.873	-3.186	-3.186	0.000	0.000	0.000	0.000
859	A	1475	PRO	0	-0.020	-0.005	103.184	0.016	0.016	0.000	0.000	0.000	0.000
860	A	1476	GLY	0	0.065	0.045	101.322	0.021	0.021	0.000	0.000	0.000	0.000
861	A	1477	SER	0	-0.065	-0.071	99.063	-0.037	-0.037	0.000	0.000	0.000	0.000
862	A	1478	MET	0	-0.054	-0.038	100.464	-0.013	-0.013	0.000	0.000	0.000	0.000
863	A	1479	HIS	0	-0.004	0.000	103.243	-0.001	-0.001	0.000	0.000	0.000	0.000
864	A	1480	LEU	0	-0.002	-0.002	105.626	-0.009	-0.009	0.000	0.000	0.000	0.000
865	A	1481	ARG	1	0.947	0.987	104.141	-3.102	-3.102	0.000	0.000	0.000	0.000
866	A	1482	PRO	0	0.061	0.027	106.552	0.017	0.017	0.000	0.000	0.000	0.000
867	A	1483	ILE	0	0.026	0.018	103.296	0.021	0.021	0.000	0.000	0.000	0.000
868	A	1484	ALA	0	-0.024	-0.010	102.649	0.033	0.033	0.000	0.000	0.000	0.000
869	A	1485	THR	0	-0.053	-0.043	102.884	-0.005	-0.005	0.000	0.000	0.000	0.000
870	A	1486	PRO	0	0.000	0.010	100.585	0.034	0.034	0.000	0.000	0.000	0.000
871	A	1487	TYR	0	-0.037	-0.034	95.215	-0.006	-0.006	0.000	0.000	0.000	0.000
872	A	1488	PRO	0	-0.003	0.015	97.971	-0.008	-0.008	0.000	0.000	0.000	0.000
873	A	1489	VAL	0	0.022	0.005	97.127	0.046	0.046	0.000	0.000	0.000	0.000
874	A	1490	LYS	1	0.785	0.870	90.890	-3.544	-3.544	0.000	0.000	0.000	0.000
875	A	1491	GLU	-1	-0.918	-0.959	97.124	3.136	3.136	0.000	0.000	0.000	0.000
876	A	1492	TRP	0	-0.070	-0.046	97.894	0.034	0.034	0.000	0.000	0.000	0.000
877	A	1493	LEU	0	-0.008	0.016	99.735	-0.014	-0.014	0.000	0.000	0.000	0.000

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