FMO DATABASE

FMODB ID: GQGJ1

Calculation Name: 7JMW-AHL-Xray176

Preferred Name:

Target Type:

Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose

ligand 3-letter code: NAG

PDB ID: 7JMW

Chain ID: AHL

ChEMBL ID:

UniProt ID:

Base Structure: X-ray

Registration Date: 2020-11-02

Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	635
LigandResidueName
LigandFragmentNumber	0
LigandCharge	None
Software	MIZUHO/ABINIT-MP 4.0(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-13472370.593401
FMO2-HF: Nuclear repulsion	13223185.975602
FMO2-HF: Total energy	-249184.617799
FMO2-MP2: Total energy	-249909.489535

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Antigen and antibody binding energy (frag 1-190 : frag 191-635)

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.
-446.5976	-399.3548	170.8625	-86.0646	-132.0407	0.2621

Interactive mode: IFIE and PIEDA for fragment #1(A:334:ASN )

Summations of interaction energy for fragment #1(A:334:ASN )

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.
-16.609	-13.205	5.898	-2.789	-6.513	0.04

Interaction energy analysis for fragmet #1(A:334:ASN )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.018 / q_NPA : 0.003

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	361	CYS	0	-0.059	0.008	2.433	-6.214	-2.480	2.585	-2.951	-3.369	0.020
4	A	337	PRO	0	0.048	0.030	6.153	-0.816	-0.816	0.000	0.000	0.000	0.000
5	A	338	PHE	0	0.047	-0.003	8.812	-0.083	-0.083	0.000	0.000	0.000	0.000
6	A	339	GLY	0	0.002	0.002	11.215	-0.128	-0.128	0.000	0.000	0.000	0.000
7	A	340	GLU	-1	-0.865	-0.932	11.176	0.458	0.458	0.000	0.000	0.000	0.000
8	A	341	VAL	0	-0.064	-0.024	13.389	-0.031	-0.031	0.000	0.000	0.000	0.000
9	A	342	PHE	0	0.014	-0.010	15.454	-0.057	-0.057	0.000	0.000	0.000	0.000
10	A	343	ASN	0	-0.035	-0.011	16.038	-0.039	-0.039	0.000	0.000	0.000	0.000
11	A	344	ALA	0	0.021	0.026	18.129	-0.035	-0.035	0.000	0.000	0.000	0.000
12	A	345	THR	0	0.036	0.004	19.144	-0.010	-0.010	0.000	0.000	0.000	0.000
13	A	346	ARG	1	0.858	0.931	22.297	-0.161	-0.161	0.000	0.000	0.000	0.000
14	A	347	PHE	0	0.035	0.019	20.672	0.022	0.022	0.000	0.000	0.000	0.000
15	A	348	ALA	0	-0.001	0.016	24.355	-0.022	-0.022	0.000	0.000	0.000	0.000
16	A	349	SER	0	0.036	0.001	26.008	-0.004	-0.004	0.000	0.000	0.000	0.000
17	A	350	VAL	0	0.012	0.014	28.182	0.014	0.014	0.000	0.000	0.000	0.000
18	A	351	TYR	0	0.003	-0.006	29.139	0.013	0.013	0.000	0.000	0.000	0.000
19	A	352	ALA	0	-0.044	-0.015	28.260	0.002	0.002	0.000	0.000	0.000	0.000
20	A	353	TRP	0	-0.017	0.016	22.561	0.023	0.023	0.000	0.000	0.000	0.000
21	A	354	ASN	0	0.051	0.022	20.562	-0.006	-0.006	0.000	0.000	0.000	0.000
22	A	355	ARG	1	0.813	0.909	18.653	-0.491	-0.491	0.000	0.000	0.000	0.000
23	A	356	LYS	1	0.874	0.949	11.691	-0.732	-0.732	0.000	0.000	0.000	0.000
24	A	357	ARG	1	0.924	0.953	12.685	-0.894	-0.894	0.000	0.000	0.000	0.000
25	A	358	ILE	0	-0.029	-0.011	8.300	0.013	0.013	0.000	0.000	0.000	0.000
26	A	359	SER	0	0.005	-0.011	8.687	-0.233	-0.233	0.000	0.000	0.000	0.000
27	A	360	ASN	0	-0.026	-0.022	6.550	0.017	0.017	0.000	0.000	0.000	0.000
28	A	362	VAL	0	0.040	0.034	2.211	-7.404	-7.800	3.311	0.176	-3.090	0.020
29	A	363	ALA	0	0.001	-0.015	4.010	-1.445	-1.379	0.002	-0.014	-0.054	0.000
30	A	364	ASP	-1	-0.742	-0.853	7.281	-0.002	-0.002	0.000	0.000	0.000	0.000
31	A	365	TYR	0	0.026	-0.019	9.854	-0.157	-0.157	0.000	0.000	0.000	0.000
32	A	366	SER	0	-0.041	-0.033	12.972	-0.141	-0.141	0.000	0.000	0.000	0.000
33	A	367	VAL	0	-0.013	-0.011	12.765	-0.062	-0.062	0.000	0.000	0.000	0.000
34	A	368	LEU	0	-0.044	-0.009	14.254	-0.044	-0.044	0.000	0.000	0.000	0.000
35	A	369	TYR	0	-0.012	-0.011	15.901	-0.033	-0.033	0.000	0.000	0.000	0.000
36	A	370	ASN	0	0.032	0.003	17.995	-0.030	-0.030	0.000	0.000	0.000	0.000
37	A	371	SER	0	-0.005	0.031	20.510	-0.044	-0.044	0.000	0.000	0.000	0.000
38	A	372	ALA	0	-0.008	-0.011	22.269	0.014	0.014	0.000	0.000	0.000	0.000
39	A	373	SER	0	-0.044	-0.030	22.917	0.001	0.001	0.000	0.000	0.000	0.000
40	A	374	PHE	0	-0.050	-0.022	19.410	0.004	0.004	0.000	0.000	0.000	0.000
41	A	375	SER	0	0.023	0.009	25.277	-0.009	-0.009	0.000	0.000	0.000	0.000
42	A	376	THR	0	-0.051	-0.031	26.944	-0.010	-0.010	0.000	0.000	0.000	0.000
43	A	377	PHE	0	0.034	-0.002	19.087	0.020	0.020	0.000	0.000	0.000	0.000
44	A	378	LYS	1	0.918	0.996	24.639	-0.210	-0.210	0.000	0.000	0.000	0.000
45	A	432	CYS	0	-0.072	-0.011	19.224	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	380	TYR	0	0.054	0.012	23.356	-0.036	-0.036	0.000	0.000	0.000	0.000
47	A	381	GLY	0	0.027	0.003	22.972	0.033	0.033	0.000	0.000	0.000	0.000
48	A	382	VAL	0	-0.004	0.003	18.524	0.004	0.004	0.000	0.000	0.000	0.000
49	A	383	SER	0	0.021	0.012	21.339	-0.014	-0.014	0.000	0.000	0.000	0.000
50	A	384	PRO	0	0.058	-0.001	18.437	0.044	0.044	0.000	0.000	0.000	0.000
51	A	385	THR	0	0.030	0.020	17.822	0.045	0.045	0.000	0.000	0.000	0.000
52	A	386	LYS	1	0.962	0.978	18.516	-0.276	-0.276	0.000	0.000	0.000	0.000
53	A	387	LEU	0	-0.022	0.005	14.506	0.027	0.027	0.000	0.000	0.000	0.000
54	A	388	ASN	0	-0.030	-0.025	11.865	0.363	0.363	0.000	0.000	0.000	0.000
55	A	389	ASP	-1	-0.920	-0.937	12.270	0.438	0.438	0.000	0.000	0.000	0.000
56	A	390	LEU	0	-0.034	-0.018	12.883	-0.102	-0.102	0.000	0.000	0.000	0.000
57	A	525	CYS	0	-0.034	-0.019	6.792	-0.761	-0.761	0.000	0.000	0.000	0.000
58	A	392	PHE	0	0.026	-0.002	11.342	-0.219	-0.219	0.000	0.000	0.000	0.000
59	A	393	THR	0	0.023	0.027	11.597	0.180	0.180	0.000	0.000	0.000	0.000
60	A	394	ASN	0	-0.018	-0.010	12.074	0.242	0.242	0.000	0.000	0.000	0.000
61	A	395	VAL	0	0.024	0.022	11.597	-0.122	-0.122	0.000	0.000	0.000	0.000
62	A	396	TYR	0	-0.085	-0.066	13.532	0.018	0.018	0.000	0.000	0.000	0.000
63	A	397	ALA	0	0.019	0.015	14.807	-0.030	-0.030	0.000	0.000	0.000	0.000
64	A	398	ASP	-1	-0.738	-0.843	16.790	0.433	0.433	0.000	0.000	0.000	0.000
65	A	399	SER	0	0.012	0.005	19.960	-0.011	-0.011	0.000	0.000	0.000	0.000
66	A	400	PHE	0	-0.040	-0.025	21.763	-0.021	-0.021	0.000	0.000	0.000	0.000
67	A	401	VAL	0	0.029	0.020	25.403	0.004	0.004	0.000	0.000	0.000	0.000
68	A	402	ILE	0	-0.027	0.008	28.346	-0.005	-0.005	0.000	0.000	0.000	0.000
69	A	403	ARG	1	0.857	0.926	31.487	-0.124	-0.124	0.000	0.000	0.000	0.000
70	A	404	GLY	0	0.044	0.033	33.835	0.008	0.008	0.000	0.000	0.000	0.000
71	A	405	ASP	-1	-0.890	-0.950	34.285	0.124	0.124	0.000	0.000	0.000	0.000
72	A	406	GLU	-1	-0.797	-0.904	34.356	0.136	0.136	0.000	0.000	0.000	0.000
73	A	407	VAL	0	0.037	0.007	28.993	0.011	0.011	0.000	0.000	0.000	0.000
74	A	408	ARG	1	0.857	0.935	30.838	-0.112	-0.112	0.000	0.000	0.000	0.000
75	A	409	GLN	0	-0.011	-0.018	33.147	0.002	0.002	0.000	0.000	0.000	0.000
76	A	410	ILE	0	-0.032	-0.001	26.379	0.006	0.006	0.000	0.000	0.000	0.000
77	A	411	ALA	0	0.036	0.004	28.541	0.014	0.014	0.000	0.000	0.000	0.000
78	A	412	PRO	0	-0.031	-0.010	28.298	-0.010	-0.010	0.000	0.000	0.000	0.000
79	A	413	GLY	0	0.042	0.022	30.905	-0.011	-0.011	0.000	0.000	0.000	0.000
80	A	414	GLN	0	-0.085	0.002	33.362	-0.022	-0.022	0.000	0.000	0.000	0.000
81	A	415	THR	0	0.010	-0.006	35.248	0.006	0.006	0.000	0.000	0.000	0.000
82	A	416	GLY	0	0.008	-0.001	37.678	-0.004	-0.004	0.000	0.000	0.000	0.000
83	A	417	LYS	1	0.904	0.963	37.291	-0.106	-0.106	0.000	0.000	0.000	0.000
84	A	418	ILE	0	0.015	0.023	31.857	0.005	0.005	0.000	0.000	0.000	0.000
85	A	419	ALA	0	0.068	0.044	32.725	0.011	0.011	0.000	0.000	0.000	0.000
86	A	420	ASP	-1	-0.843	-0.930	33.800	0.155	0.155	0.000	0.000	0.000	0.000
87	A	421	TYR	0	-0.052	-0.038	35.920	0.000	0.000	0.000	0.000	0.000	0.000
88	A	422	ASN	0	-0.036	-0.029	31.838	-0.003	-0.003	0.000	0.000	0.000	0.000
89	A	423	TYR	0	-0.013	-0.044	23.079	0.004	0.004	0.000	0.000	0.000	0.000
90	A	424	LYS	1	0.914	0.991	29.220	-0.191	-0.191	0.000	0.000	0.000	0.000
91	A	425	LEU	0	0.027	0.017	24.700	0.020	0.020	0.000	0.000	0.000	0.000
92	A	426	PRO	0	-0.020	-0.008	26.124	-0.023	-0.023	0.000	0.000	0.000	0.000
93	A	427	ASP	-1	-0.748	-0.870	28.909	0.195	0.195	0.000	0.000	0.000	0.000
94	A	428	ASP	-1	-0.936	-0.965	27.884	0.280	0.280	0.000	0.000	0.000	0.000
95	A	429	PHE	0	-0.037	-0.007	21.871	0.020	0.020	0.000	0.000	0.000	0.000
96	A	430	THR	0	0.031	0.014	20.297	-0.028	-0.028	0.000	0.000	0.000	0.000
97	A	431	GLY	0	0.024	-0.001	19.431	0.055	0.055	0.000	0.000	0.000	0.000
98	A	433	VAL	0	0.013	0.015	21.126	0.024	0.024	0.000	0.000	0.000	0.000
99	A	434	ILE	0	0.000	0.004	18.831	-0.020	-0.020	0.000	0.000	0.000	0.000
100	A	435	ALA	0	0.009	0.001	22.981	0.003	0.003	0.000	0.000	0.000	0.000
101	A	436	TRP	0	0.034	0.018	20.897	0.000	0.000	0.000	0.000	0.000	0.000
102	A	437	ASN	0	0.001	0.006	27.063	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	438	SER	0	0.003	-0.006	27.420	0.001	0.001	0.000	0.000	0.000	0.000
104	A	439	ASN	0	0.039	0.028	29.415	-0.004	-0.004	0.000	0.000	0.000	0.000
105	A	440	ASN	0	-0.014	-0.010	28.326	0.002	0.002	0.000	0.000	0.000	0.000
106	A	441	LEU	0	0.004	0.012	25.877	-0.007	-0.007	0.000	0.000	0.000	0.000
107	A	442	ASP	-1	-0.791	-0.841	28.356	0.147	0.147	0.000	0.000	0.000	0.000
108	A	443	SER	0	0.002	-0.011	31.203	0.003	0.003	0.000	0.000	0.000	0.000
109	A	444	LYS	1	0.914	0.968	34.637	-0.088	-0.088	0.000	0.000	0.000	0.000
110	A	445	VAL	0	0.044	0.011	37.153	0.001	0.001	0.000	0.000	0.000	0.000
111	A	446	GLY	0	0.027	0.016	40.704	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	447	GLY	0	-0.025	-0.001	39.709	0.001	0.001	0.000	0.000	0.000	0.000
113	A	448	ASN	0	-0.120	-0.099	32.390	-0.004	-0.004	0.000	0.000	0.000	0.000
114	A	449	TYR	0	0.070	0.039	36.902	0.005	0.005	0.000	0.000	0.000	0.000
115	A	450	ASN	0	-0.032	-0.026	32.686	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	451	TYR	0	-0.085	-0.057	28.105	0.009	0.009	0.000	0.000	0.000	0.000
117	A	452	LEU	0	0.017	0.003	32.796	-0.007	-0.007	0.000	0.000	0.000	0.000
118	A	453	TYR	0	-0.010	-0.017	33.153	0.013	0.013	0.000	0.000	0.000	0.000
119	A	454	ARG	1	0.830	0.907	34.491	-0.153	-0.153	0.000	0.000	0.000	0.000
120	A	455	LEU	0	-0.003	0.014	37.104	0.004	0.004	0.000	0.000	0.000	0.000
121	A	456	PHE	0	0.030	0.001	40.468	0.000	0.000	0.000	0.000	0.000	0.000
122	A	457	ARG	1	0.860	0.900	35.874	-0.148	-0.148	0.000	0.000	0.000	0.000
123	A	458	LYS	1	0.905	0.973	41.224	-0.093	-0.093	0.000	0.000	0.000	0.000
124	A	459	SER	0	0.015	0.009	39.162	-0.004	-0.004	0.000	0.000	0.000	0.000
125	A	460	ASN	0	-0.032	-0.016	37.503	-0.002	-0.002	0.000	0.000	0.000	0.000
126	A	461	LEU	0	-0.070	-0.015	31.927	-0.004	-0.004	0.000	0.000	0.000	0.000
127	A	462	LYS	1	0.844	0.900	32.313	-0.181	-0.181	0.000	0.000	0.000	0.000
128	A	463	PRO	0	0.004	-0.025	28.658	0.005	0.005	0.000	0.000	0.000	0.000
129	A	464	PHE	0	-0.016	-0.003	22.846	0.007	0.007	0.000	0.000	0.000	0.000
130	A	465	GLU	-1	-0.794	-0.861	26.825	0.189	0.189	0.000	0.000	0.000	0.000
131	A	466	ARG	1	0.856	0.924	23.057	-0.303	-0.303	0.000	0.000	0.000	0.000
132	A	467	ASP	-1	-0.756	-0.842	29.315	0.141	0.141	0.000	0.000	0.000	0.000
133	A	468	ILE	0	0.018	0.006	29.683	-0.001	-0.001	0.000	0.000	0.000	0.000
134	A	469	SER	0	-0.052	-0.032	32.959	-0.010	-0.010	0.000	0.000	0.000	0.000
135	A	470	THR	0	-0.001	-0.021	36.499	0.000	0.000	0.000	0.000	0.000	0.000
136	A	471	GLU	-1	-0.870	-0.909	39.329	0.082	0.082	0.000	0.000	0.000	0.000
137	A	472	ILE	0	-0.005	-0.012	42.371	0.003	0.003	0.000	0.000	0.000	0.000
138	A	473	TYR	0	-0.050	-0.031	43.792	0.002	0.002	0.000	0.000	0.000	0.000
139	A	474	GLN	0	-0.004	-0.017	45.627	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	475	ALA	0	-0.040	-0.036	48.954	0.003	0.003	0.000	0.000	0.000	0.000
141	A	476	GLY	0	0.048	0.025	50.559	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	477	SER	0	-0.015	-0.010	53.615	0.002	0.002	0.000	0.000	0.000	0.000
143	A	478	THR	0	-0.004	0.009	55.662	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	479	PRO	0	-0.012	-0.012	52.837	0.002	0.002	0.000	0.000	0.000	0.000
145	A	488	CYS	0	0.011	0.020	49.985	0.001	0.001	0.000	0.000	0.000	0.000
146	A	481	ASN	0	-0.041	-0.029	50.947	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	482	GLY	0	0.059	0.037	47.662	-0.002	-0.002	0.000	0.000	0.000	0.000
148	A	483	VAL	0	-0.014	0.001	48.423	0.000	0.000	0.000	0.000	0.000	0.000
149	A	484	GLU	-1	-0.931	-0.967	46.824	0.077	0.077	0.000	0.000	0.000	0.000
150	A	485	GLY	0	0.073	0.010	50.271	-0.003	-0.003	0.000	0.000	0.000	0.000
151	A	486	PHE	0	-0.029	-0.008	52.826	0.002	0.002	0.000	0.000	0.000	0.000
152	A	487	ASN	0	-0.057	-0.030	52.390	-0.002	-0.002	0.000	0.000	0.000	0.000
153	A	489	TYR	0	0.042	0.018	46.367	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	490	PHE	0	0.116	0.065	39.513	0.005	0.005	0.000	0.000	0.000	0.000
155	A	491	PRO	0	-0.084	-0.021	39.820	0.002	0.002	0.000	0.000	0.000	0.000
156	A	492	LEU	0	-0.042	-0.025	35.469	0.005	0.005	0.000	0.000	0.000	0.000
157	A	493	GLN	0	0.035	0.026	38.545	-0.008	-0.008	0.000	0.000	0.000	0.000
158	A	494	SER	0	0.000	-0.012	37.718	0.007	0.007	0.000	0.000	0.000	0.000
159	A	495	TYR	0	-0.030	-0.040	33.267	0.000	0.000	0.000	0.000	0.000	0.000
160	A	496	GLY	0	0.052	0.035	37.827	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	497	PHE	0	-0.046	-0.018	33.143	0.000	0.000	0.000	0.000	0.000	0.000
162	A	498	GLN	0	0.061	0.012	37.599	-0.005	-0.005	0.000	0.000	0.000	0.000
163	A	499	PRO	0	0.005	0.001	37.184	0.003	0.003	0.000	0.000	0.000	0.000
164	A	500	THR	0	0.018	0.010	38.716	0.000	0.000	0.000	0.000	0.000	0.000
165	A	501	ASN	0	-0.031	0.007	39.433	-0.006	-0.006	0.000	0.000	0.000	0.000
166	A	502	GLY	0	0.052	0.020	40.370	0.000	0.000	0.000	0.000	0.000	0.000
167	A	503	VAL	0	0.064	0.016	36.582	0.004	0.004	0.000	0.000	0.000	0.000
168	A	504	GLY	0	0.004	0.009	37.057	0.007	0.007	0.000	0.000	0.000	0.000
169	A	505	TYR	0	-0.022	-0.023	37.965	0.006	0.006	0.000	0.000	0.000	0.000
170	A	506	GLN	0	-0.014	-0.001	34.914	0.004	0.004	0.000	0.000	0.000	0.000
171	A	507	PRO	0	0.002	0.012	31.373	0.008	0.008	0.000	0.000	0.000	0.000
172	A	508	TYR	0	0.023	-0.004	29.286	-0.008	-0.008	0.000	0.000	0.000	0.000
173	A	509	ARG	1	0.781	0.893	23.221	-0.170	-0.170	0.000	0.000	0.000	0.000
174	A	510	VAL	0	-0.005	-0.013	24.617	0.003	0.003	0.000	0.000	0.000	0.000
175	A	511	VAL	0	0.005	-0.010	17.948	0.010	0.010	0.000	0.000	0.000	0.000
176	A	512	VAL	0	-0.033	-0.012	20.837	-0.009	-0.009	0.000	0.000	0.000	0.000
177	A	513	LEU	0	-0.012	0.000	14.926	0.047	0.047	0.000	0.000	0.000	0.000
178	A	514	SER	0	-0.014	-0.013	17.605	-0.076	-0.076	0.000	0.000	0.000	0.000
179	A	515	PHE	0	0.039	0.016	13.896	0.093	0.093	0.000	0.000	0.000	0.000
180	A	516	GLU	-1	-0.838	-0.888	15.990	0.571	0.571	0.000	0.000	0.000	0.000
181	A	517	LEU	0	0.013	-0.011	16.112	0.099	0.099	0.000	0.000	0.000	0.000
182	A	518	LEU	0	0.013	0.008	17.800	-0.075	-0.075	0.000	0.000	0.000	0.000
183	A	519	HIS	0	0.006	0.005	18.876	0.017	0.017	0.000	0.000	0.000	0.000
184	A	520	ALA	0	-0.008	-0.008	16.654	-0.034	-0.034	0.000	0.000	0.000	0.000
185	A	521	PRO	0	-0.005	0.000	12.335	0.002	0.002	0.000	0.000	0.000	0.000
186	A	522	ALA	0	0.009	0.002	11.523	0.084	0.084	0.000	0.000	0.000	0.000
187	A	523	THR	0	-0.060	-0.040	8.547	0.129	0.129	0.000	0.000	0.000	0.000
188	A	524	VAL	0	0.001	0.005	6.844	1.028	1.028	0.000	0.000	0.000	0.000
189	A	526	GLY	0	0.023	0.027	7.153	0.979	0.979	0.000	0.000	0.000	0.000
190	A	527	PRO	0	-0.047	-0.010	7.887	-0.305	-0.305	0.000	0.000	0.000	0.000
191	H	1	GLN	0	0.021	0.014	41.646	-0.004	-0.004	0.000	0.000	0.000	0.000
192	H	2	VAL	0	-0.044	-0.025	39.883	0.003	0.003	0.000	0.000	0.000	0.000
193	H	3	GLN	0	-0.039	-0.019	42.640	-0.007	-0.007	0.000	0.000	0.000	0.000
194	H	4	LEU	0	0.021	0.008	43.044	0.003	0.003	0.000	0.000	0.000	0.000
195	H	5	VAL	0	0.003	0.009	46.926	-0.004	-0.004	0.000	0.000	0.000	0.000
196	H	6	GLN	0	0.022	-0.018	50.206	0.002	0.002	0.000	0.000	0.000	0.000
197	H	7	SER	0	0.040	0.036	52.368	-0.001	-0.001	0.000	0.000	0.000	0.000
198	H	8	GLY	0	-0.040	-0.025	55.254	0.000	0.000	0.000	0.000	0.000	0.000
199	H	9	ALA	0	0.005	0.004	58.926	0.000	0.000	0.000	0.000	0.000	0.000
200	H	10	GLU	-1	-0.854	-0.926	60.415	0.053	0.053	0.000	0.000	0.000	0.000
201	H	11	VAL	0	-0.011	0.005	62.680	0.000	0.000	0.000	0.000	0.000	0.000
202	H	12	LYS	1	0.837	0.919	61.561	-0.050	-0.050	0.000	0.000	0.000	0.000
203	H	13	LYS	1	0.905	0.948	65.801	-0.038	-0.038	0.000	0.000	0.000	0.000
204	H	14	PRO	0	-0.006	-0.023	66.629	0.001	0.001	0.000	0.000	0.000	0.000
205	H	15	GLY	0	0.012	0.008	65.562	-0.001	-0.001	0.000	0.000	0.000	0.000
206	H	16	ALA	0	-0.031	-0.002	64.125	0.000	0.000	0.000	0.000	0.000	0.000
207	H	17	SER	0	-0.014	-0.031	58.612	0.000	0.000	0.000	0.000	0.000	0.000
208	H	18	VAL	0	-0.014	0.003	57.315	-0.001	-0.001	0.000	0.000	0.000	0.000
209	H	19	LYS	1	0.904	0.949	52.523	-0.061	-0.061	0.000	0.000	0.000	0.000
210	H	20	VAL	0	-0.027	-0.001	52.833	-0.001	-0.001	0.000	0.000	0.000	0.000
211	H	21	SER	0	0.019	-0.009	50.849	0.003	0.003	0.000	0.000	0.000	0.000
212	H	92	CYS	0	-0.036	-0.010	46.619	0.000	0.000	0.000	0.000	0.000	0.000
213	H	23	LYS	1	0.899	0.986	46.126	-0.093	-0.093	0.000	0.000	0.000	0.000
214	H	24	ALA	0	0.022	0.020	41.809	-0.001	-0.001	0.000	0.000	0.000	0.000
215	H	25	SER	0	-0.029	-0.028	42.269	-0.001	-0.001	0.000	0.000	0.000	0.000
216	H	26	GLY	0	0.049	0.017	40.778	-0.002	-0.002	0.000	0.000	0.000	0.000
217	H	27	TYR	0	-0.009	0.000	36.315	0.000	0.000	0.000	0.000	0.000	0.000
218	H	28	THR	0	-0.008	-0.013	32.142	-0.003	-0.003	0.000	0.000	0.000	0.000
219	H	29	PHE	0	0.029	0.018	35.105	0.005	0.005	0.000	0.000	0.000	0.000
220	H	30	THR	0	0.025	0.012	32.845	-0.004	-0.004	0.000	0.000	0.000	0.000
221	H	31	SER	0	-0.043	-0.008	31.183	0.002	0.002	0.000	0.000	0.000	0.000
222	H	32	TYR	0	-0.071	-0.062	32.713	0.006	0.006	0.000	0.000	0.000	0.000
223	H	33	TYR	0	0.022	0.013	32.981	-0.006	-0.006	0.000	0.000	0.000	0.000
224	H	34	MET	0	-0.039	-0.014	38.110	-0.002	-0.002	0.000	0.000	0.000	0.000
225	H	35	HIS	0	0.042	0.041	39.914	-0.007	-0.007	0.000	0.000	0.000	0.000
226	H	36	TRP	0	0.019	0.005	44.518	-0.002	-0.002	0.000	0.000	0.000	0.000
227	H	37	VAL	0	-0.010	-0.004	48.077	-0.001	-0.001	0.000	0.000	0.000	0.000
228	H	38	ARG	1	0.825	0.904	50.690	-0.057	-0.057	0.000	0.000	0.000	0.000
229	H	39	GLN	0	0.028	0.019	54.478	0.002	0.002	0.000	0.000	0.000	0.000
230	H	40	ALA	0	0.034	0.023	57.263	-0.001	-0.001	0.000	0.000	0.000	0.000
231	H	41	PRO	0	-0.018	-0.032	60.929	0.001	0.001	0.000	0.000	0.000	0.000
232	H	42	GLY	0	0.023	0.024	62.923	-0.001	-0.001	0.000	0.000	0.000	0.000
233	H	43	GLN	0	-0.040	-0.007	60.714	-0.002	-0.002	0.000	0.000	0.000	0.000
234	H	44	GLY	0	0.062	0.027	57.581	0.001	0.001	0.000	0.000	0.000	0.000
235	H	45	LEU	0	-0.059	-0.026	51.772	0.000	0.000	0.000	0.000	0.000	0.000
236	H	46	GLU	-1	-0.737	-0.855	53.102	0.056	0.056	0.000	0.000	0.000	0.000
237	H	47	TRP	0	0.015	-0.006	43.882	-0.001	-0.001	0.000	0.000	0.000	0.000
238	H	48	MET	0	-0.048	-0.010	49.232	-0.003	-0.003	0.000	0.000	0.000	0.000
239	H	49	GLY	0	0.050	0.002	46.236	-0.002	-0.002	0.000	0.000	0.000	0.000
240	H	50	ILE	0	-0.058	-0.010	38.802	0.002	0.002	0.000	0.000	0.000	0.000
241	H	51	ILE	0	0.010	-0.003	41.445	-0.002	-0.002	0.000	0.000	0.000	0.000
242	H	52	ASN	0	0.012	0.010	34.051	0.009	0.009	0.000	0.000	0.000	0.000
243	H	52	SER	0	-0.008	-0.015	37.612	-0.003	-0.003	0.000	0.000	0.000	0.000
244	H	53	SER	0	0.032	0.008	33.259	0.002	0.002	0.000	0.000	0.000	0.000
245	H	54	GLY	0	0.012	0.005	35.229	-0.005	-0.005	0.000	0.000	0.000	0.000
246	H	55	GLY	0	-0.003	-0.008	35.918	-0.007	-0.007	0.000	0.000	0.000	0.000
247	H	56	SER	0	-0.018	-0.007	37.524	-0.003	-0.003	0.000	0.000	0.000	0.000
248	H	57	THR	0	0.031	0.001	39.436	0.003	0.003	0.000	0.000	0.000	0.000
249	H	58	SER	0	0.029	0.017	41.976	-0.002	-0.002	0.000	0.000	0.000	0.000
250	H	59	TYR	0	-0.009	-0.014	43.854	0.001	0.001	0.000	0.000	0.000	0.000
251	H	60	ALA	0	0.048	0.035	47.328	0.000	0.000	0.000	0.000	0.000	0.000
252	H	61	GLN	0	0.011	-0.016	49.614	0.000	0.000	0.000	0.000	0.000	0.000
253	H	62	LYS	1	0.858	0.915	52.066	-0.055	-0.055	0.000	0.000	0.000	0.000
254	H	63	PHE	0	-0.028	-0.015	52.012	-0.002	-0.002	0.000	0.000	0.000	0.000
255	H	64	GLN	0	0.022	0.019	49.181	0.003	0.003	0.000	0.000	0.000	0.000
256	H	65	GLY	0	-0.010	0.001	52.037	-0.003	-0.003	0.000	0.000	0.000	0.000
257	H	66	ARG	1	0.818	0.890	53.872	-0.051	-0.051	0.000	0.000	0.000	0.000
258	H	67	VAL	0	-0.011	0.001	50.358	0.000	0.000	0.000	0.000	0.000	0.000
259	H	68	THR	0	-0.009	-0.004	49.456	0.000	0.000	0.000	0.000	0.000	0.000
260	H	69	MET	0	-0.070	0.000	45.863	0.001	0.001	0.000	0.000	0.000	0.000
261	H	70	THR	0	-0.029	-0.010	45.886	0.001	0.001	0.000	0.000	0.000	0.000
262	H	71	ARG	1	0.885	0.943	38.232	-0.116	-0.116	0.000	0.000	0.000	0.000
263	H	72	ASP	-1	-0.807	-0.888	43.560	0.094	0.094	0.000	0.000	0.000	0.000
264	H	73	THR	0	0.035	0.000	37.217	-0.001	-0.001	0.000	0.000	0.000	0.000
265	H	74	SER	0	-0.074	-0.032	40.648	0.003	0.003	0.000	0.000	0.000	0.000
266	H	75	THR	0	0.003	0.000	42.416	0.001	0.001	0.000	0.000	0.000	0.000
267	H	76	SER	0	-0.030	-0.015	40.674	0.002	0.002	0.000	0.000	0.000	0.000
268	H	77	THR	0	-0.056	-0.044	42.460	-0.002	-0.002	0.000	0.000	0.000	0.000
269	H	78	VAL	0	-0.003	-0.008	43.085	0.001	0.001	0.000	0.000	0.000	0.000
270	H	79	TYR	0	-0.010	-0.021	45.639	-0.004	-0.004	0.000	0.000	0.000	0.000
271	H	80	MET	0	0.010	0.015	48.127	0.002	0.002	0.000	0.000	0.000	0.000
272	H	81	GLU	-1	-0.832	-0.902	50.637	0.057	0.057	0.000	0.000	0.000	0.000
273	H	82	LEU	0	-0.021	0.003	53.602	0.001	0.001	0.000	0.000	0.000	0.000
274	H	82	SER	0	0.020	-0.008	56.225	-0.002	-0.002	0.000	0.000	0.000	0.000
275	H	82	SER	0	0.035	0.009	58.878	0.000	0.000	0.000	0.000	0.000	0.000
276	H	82	LEU	0	-0.045	-0.003	59.664	0.000	0.000	0.000	0.000	0.000	0.000
277	H	83	ARG	1	0.915	0.930	62.746	-0.040	-0.040	0.000	0.000	0.000	0.000
278	H	84	SER	0	0.036	0.021	64.392	0.001	0.001	0.000	0.000	0.000	0.000
279	H	85	GLU	-1	-0.804	-0.877	63.736	0.041	0.041	0.000	0.000	0.000	0.000
280	H	86	ASP	-1	-0.807	-0.883	60.065	0.052	0.052	0.000	0.000	0.000	0.000
281	H	87	THR	0	-0.046	-0.028	60.902	0.002	0.002	0.000	0.000	0.000	0.000
282	H	88	ALA	0	0.014	0.004	58.486	0.000	0.000	0.000	0.000	0.000	0.000
283	H	89	VAL	0	-0.009	0.000	55.913	0.000	0.000	0.000	0.000	0.000	0.000
284	H	90	TYR	0	-0.004	-0.012	53.461	0.001	0.001	0.000	0.000	0.000	0.000
285	H	91	TYR	0	0.002	0.007	50.513	0.001	0.001	0.000	0.000	0.000	0.000
286	H	93	ALA	0	0.028	0.001	45.366	0.000	0.000	0.000	0.000	0.000	0.000
287	H	94	ARG	1	0.930	0.973	37.326	-0.145	-0.145	0.000	0.000	0.000	0.000
288	H	95	PRO	0	-0.063	-0.003	38.557	-0.002	-0.002	0.000	0.000	0.000	0.000
289	H	96	PRO	0	-0.017	-0.003	34.668	0.007	0.007	0.000	0.000	0.000	0.000
290	H	97	ARG	1	0.832	0.908	26.835	-0.265	-0.265	0.000	0.000	0.000	0.000
291	H	98	ASN	0	0.004	0.002	31.807	-0.005	-0.005	0.000	0.000	0.000	0.000
292	H	99	TYR	0	-0.011	-0.014	27.344	0.018	0.018	0.000	0.000	0.000	0.000
293	H	100	TYR	0	-0.024	-0.018	24.364	-0.020	-0.020	0.000	0.000	0.000	0.000
294	H	100	ASP	-1	-0.832	-0.909	25.600	0.205	0.205	0.000	0.000	0.000	0.000
295	H	100	ARG	1	0.940	0.969	22.220	-0.165	-0.165	0.000	0.000	0.000	0.000
296	H	100	SER	0	-0.061	-0.046	22.910	0.008	0.008	0.000	0.000	0.000	0.000
297	H	100	GLY	0	-0.021	-0.003	24.110	0.001	0.001	0.000	0.000	0.000	0.000
298	H	100	TYR	0	-0.015	-0.006	24.735	-0.007	-0.007	0.000	0.000	0.000	0.000
299	H	100	TYR	0	-0.016	-0.008	28.175	0.018	0.018	0.000	0.000	0.000	0.000
300	H	100	GLN	0	0.039	0.024	30.000	-0.018	-0.018	0.000	0.000	0.000	0.000
301	H	100	ARG	1	0.775	0.858	32.155	-0.104	-0.104	0.000	0.000	0.000	0.000
302	H	100	ALA	0	0.023	0.012	34.502	-0.001	-0.001	0.000	0.000	0.000	0.000
303	H	100	GLU	-1	-0.838	-0.920	36.321	0.117	0.117	0.000	0.000	0.000	0.000
304	H	100	TYR	0	0.010	0.003	36.510	-0.006	-0.006	0.000	0.000	0.000	0.000
305	H	100	PHE	0	-0.027	-0.036	40.966	0.006	0.006	0.000	0.000	0.000	0.000
306	H	101	GLN	0	0.020	-0.028	37.803	0.001	0.001	0.000	0.000	0.000	0.000
307	H	102	HIS	0	-0.027	-0.011	40.032	-0.007	-0.007	0.000	0.000	0.000	0.000
308	H	103	TRP	0	0.022	-0.004	44.211	-0.002	-0.002	0.000	0.000	0.000	0.000
309	H	104	GLY	0	0.034	0.025	47.508	0.001	0.001	0.000	0.000	0.000	0.000
310	H	105	GLN	0	-0.040	-0.030	49.792	0.001	0.001	0.000	0.000	0.000	0.000
311	H	106	GLY	0	0.008	0.017	53.064	-0.003	-0.003	0.000	0.000	0.000	0.000
312	H	107	THR	0	-0.070	-0.041	54.755	-0.001	-0.001	0.000	0.000	0.000	0.000
313	H	108	LEU	0	-0.007	0.002	56.786	0.000	0.000	0.000	0.000	0.000	0.000
314	H	109	VAL	0	0.028	0.012	58.559	-0.001	-0.001	0.000	0.000	0.000	0.000
315	H	110	THR	0	-0.003	-0.006	61.415	-0.001	-0.001	0.000	0.000	0.000	0.000
316	H	111	VAL	0	0.014	0.013	63.427	0.000	0.000	0.000	0.000	0.000	0.000
317	H	112	SER	0	0.002	-0.024	66.294	-0.002	-0.002	0.000	0.000	0.000	0.000
318	H	113	SER	0	0.011	-0.001	70.063	0.001	0.001	0.000	0.000	0.000	0.000
319	H	114	ALA	0	0.018	0.036	72.659	-0.001	-0.001	0.000	0.000	0.000	0.000
320	H	115	SER	0	-0.005	-0.010	72.457	0.001	0.001	0.000	0.000	0.000	0.000
321	H	116	THR	0	-0.020	-0.007	69.664	0.000	0.000	0.000	0.000	0.000	0.000
322	H	117	LYS	1	0.871	0.929	72.423	-0.035	-0.035	0.000	0.000	0.000	0.000
323	H	118	GLY	0	0.025	0.016	73.061	0.001	0.001	0.000	0.000	0.000	0.000
324	H	119	PRO	0	-0.011	-0.008	72.402	-0.001	-0.001	0.000	0.000	0.000	0.000
325	H	120	SER	0	-0.039	-0.010	75.402	0.000	0.000	0.000	0.000	0.000	0.000
326	H	121	VAL	0	-0.004	-0.001	74.520	0.000	0.000	0.000	0.000	0.000	0.000
327	H	122	PHE	0	0.002	-0.003	77.765	-0.001	-0.001	0.000	0.000	0.000	0.000
328	H	123	PRO	0	0.006	0.014	79.558	0.001	0.001	0.000	0.000	0.000	0.000
329	H	124	LEU	0	-0.032	-0.011	78.945	-0.001	-0.001	0.000	0.000	0.000	0.000
330	H	125	ALA	0	0.019	0.002	81.299	0.001	0.001	0.000	0.000	0.000	0.000
331	H	126	PRO	0	0.029	0.010	81.927	0.000	0.000	0.000	0.000	0.000	0.000
332	H	127	SER	0	0.001	0.007	83.856	0.000	0.000	0.000	0.000	0.000	0.000
333	H	128	SER	0	0.023	0.008	85.392	0.000	0.000	0.000	0.000	0.000	0.000
334	H	129	LYS	1	0.923	0.961	85.197	-0.026	-0.026	0.000	0.000	0.000	0.000
335	H	130	SER	0	0.060	0.040	87.377	-0.001	-0.001	0.000	0.000	0.000	0.000
336	H	131	THR	0	0.056	-0.001	88.832	0.001	0.001	0.000	0.000	0.000	0.000
337	H	132	SER	0	0.013	0.012	87.180	0.000	0.000	0.000	0.000	0.000	0.000
338	H	133	GLY	0	-0.063	-0.035	86.076	0.000	0.000	0.000	0.000	0.000	0.000
339	H	134	GLY	0	-0.006	0.023	83.963	0.001	0.001	0.000	0.000	0.000	0.000
340	H	135	THR	0	-0.020	-0.024	78.919	0.001	0.001	0.000	0.000	0.000	0.000
341	H	136	ALA	0	0.007	0.006	80.540	-0.001	-0.001	0.000	0.000	0.000	0.000
342	H	137	ALA	0	0.007	0.008	78.961	0.001	0.001	0.000	0.000	0.000	0.000
343	H	138	LEU	0	-0.001	0.005	76.386	-0.001	-0.001	0.000	0.000	0.000	0.000
344	H	139	GLY	0	0.057	0.009	76.359	0.001	0.001	0.000	0.000	0.000	0.000
345	H	196	CYS	0	-0.100	-0.020	72.042	0.000	0.000	0.000	0.000	0.000	0.000
346	H	141	LEU	0	0.026	0.026	76.360	0.001	0.001	0.000	0.000	0.000	0.000
347	H	142	VAL	0	-0.024	-0.015	72.610	0.000	0.000	0.000	0.000	0.000	0.000
348	H	143	LYS	1	0.904	0.928	75.867	-0.031	-0.031	0.000	0.000	0.000	0.000
349	H	144	ASP	-1	-0.756	-0.880	77.587	0.032	0.032	0.000	0.000	0.000	0.000
350	H	145	TYR	0	-0.051	-0.024	70.349	0.000	0.000	0.000	0.000	0.000	0.000
351	H	146	PHE	0	0.067	0.054	70.768	0.000	0.000	0.000	0.000	0.000	0.000
352	H	147	PRO	0	0.016	0.006	67.149	0.000	0.000	0.000	0.000	0.000	0.000
353	H	148	GLU	-1	-0.770	-0.863	66.545	0.044	0.044	0.000	0.000	0.000	0.000
354	H	149	PRO	0	-0.007	-0.008	62.881	0.001	0.001	0.000	0.000	0.000	0.000
355	H	150	VAL	0	-0.009	-0.020	66.192	0.000	0.000	0.000	0.000	0.000	0.000
356	H	151	THR	0	-0.050	-0.022	62.891	0.001	0.001	0.000	0.000	0.000	0.000
357	H	152	VAL	0	0.019	-0.004	65.927	-0.001	-0.001	0.000	0.000	0.000	0.000
358	H	153	SER	0	-0.030	-0.009	65.352	0.002	0.002	0.000	0.000	0.000	0.000
359	H	154	TRP	0	0.027	0.011	67.323	-0.002	-0.002	0.000	0.000	0.000	0.000
360	H	155	ASN	0	-0.020	-0.020	68.292	0.001	0.001	0.000	0.000	0.000	0.000
361	H	156	SER	0	-0.021	-0.019	65.536	0.001	0.001	0.000	0.000	0.000	0.000
362	H	157	GLY	0	-0.006	-0.002	63.596	0.002	0.002	0.000	0.000	0.000	0.000
363	H	158	ALA	0	-0.011	0.013	64.082	0.001	0.001	0.000	0.000	0.000	0.000
364	H	159	LEU	0	-0.030	-0.008	66.094	0.000	0.000	0.000	0.000	0.000	0.000
365	H	160	THR	0	0.006	-0.008	63.250	0.000	0.000	0.000	0.000	0.000	0.000
366	H	161	SER	0	0.006	-0.011	66.131	0.000	0.000	0.000	0.000	0.000	0.000
367	H	162	GLY	0	0.042	0.019	68.041	-0.001	-0.001	0.000	0.000	0.000	0.000
368	H	163	VAL	0	-0.057	-0.020	68.244	-0.001	-0.001	0.000	0.000	0.000	0.000
369	H	164	HIS	0	-0.013	0.004	69.000	0.002	0.002	0.000	0.000	0.000	0.000
370	H	165	THR	0	-0.006	-0.009	67.983	-0.001	-0.001	0.000	0.000	0.000	0.000
371	H	166	PHE	0	-0.052	-0.012	69.222	0.001	0.001	0.000	0.000	0.000	0.000
372	H	167	PRO	0	0.001	0.001	68.732	0.001	0.001	0.000	0.000	0.000	0.000
373	H	168	ALA	0	0.010	0.023	70.053	-0.002	-0.002	0.000	0.000	0.000	0.000
374	H	169	VAL	0	-0.012	-0.003	72.008	0.000	0.000	0.000	0.000	0.000	0.000
375	H	170	LEU	0	-0.012	0.000	73.059	0.000	0.000	0.000	0.000	0.000	0.000
376	H	171	GLN	0	0.007	0.002	75.957	-0.001	-0.001	0.000	0.000	0.000	0.000
377	H	172	SER	0	0.031	0.008	79.440	0.000	0.000	0.000	0.000	0.000	0.000
378	H	173	SER	0	-0.012	-0.005	80.298	0.000	0.000	0.000	0.000	0.000	0.000
379	H	174	GLY	0	0.020	0.023	77.488	0.000	0.000	0.000	0.000	0.000	0.000
380	H	175	LEU	0	-0.120	-0.054	75.825	0.001	0.001	0.000	0.000	0.000	0.000
381	H	176	TYR	0	0.030	0.005	70.110	-0.001	-0.001	0.000	0.000	0.000	0.000
382	H	177	SER	0	-0.008	-0.010	74.880	-0.001	-0.001	0.000	0.000	0.000	0.000
383	H	178	LEU	0	-0.007	0.006	69.900	0.000	0.000	0.000	0.000	0.000	0.000
384	H	179	SER	0	0.050	0.012	74.174	-0.001	-0.001	0.000	0.000	0.000	0.000
385	H	180	SER	0	-0.045	-0.017	70.630	0.001	0.001	0.000	0.000	0.000	0.000
386	H	181	VAL	0	0.047	0.008	73.324	-0.001	-0.001	0.000	0.000	0.000	0.000
387	H	182	VAL	0	0.023	0.011	72.210	0.001	0.001	0.000	0.000	0.000	0.000
388	H	183	THR	0	-0.028	0.001	74.306	-0.001	-0.001	0.000	0.000	0.000	0.000
389	H	184	VAL	0	0.023	0.016	74.482	0.001	0.001	0.000	0.000	0.000	0.000
390	H	185	PRO	0	0.040	0.014	76.040	-0.001	-0.001	0.000	0.000	0.000	0.000
391	H	186	SER	0	0.024	-0.012	79.024	0.000	0.000	0.000	0.000	0.000	0.000
392	H	187	SER	0	-0.006	-0.006	80.924	0.000	0.000	0.000	0.000	0.000	0.000
393	H	188	SER	0	0.037	0.010	76.530	0.000	0.000	0.000	0.000	0.000	0.000
394	H	189	LEU	0	-0.058	0.002	79.670	0.000	0.000	0.000	0.000	0.000	0.000
395	H	190	GLY	0	0.014	0.014	81.663	0.000	0.000	0.000	0.000	0.000	0.000
396	H	191	THR	0	-0.047	-0.011	78.398	0.000	0.000	0.000	0.000	0.000	0.000
397	H	192	GLN	0	-0.028	-0.017	72.247	0.000	0.000	0.000	0.000	0.000	0.000
398	H	193	THR	0	0.022	0.015	75.466	-0.001	-0.001	0.000	0.000	0.000	0.000
399	H	194	TYR	0	0.013	-0.005	74.461	0.002	0.002	0.000	0.000	0.000	0.000
400	H	195	ILE	0	0.016	-0.001	73.052	-0.001	-0.001	0.000	0.000	0.000	0.000
401	H	197	ASN	0	-0.002	-0.012	68.079	0.000	0.000	0.000	0.000	0.000	0.000
402	H	198	VAL	0	0.031	0.021	68.808	0.001	0.001	0.000	0.000	0.000	0.000
403	H	199	ASN	0	-0.013	-0.020	64.653	-0.001	-0.001	0.000	0.000	0.000	0.000
404	H	200	HIS	1	0.849	0.895	67.114	-0.042	-0.042	0.000	0.000	0.000	0.000
405	H	201	LYS	1	0.998	0.987	61.289	-0.056	-0.056	0.000	0.000	0.000	0.000
406	H	202	PRO	0	0.048	0.037	64.869	0.000	0.000	0.000	0.000	0.000	0.000
407	H	203	SER	0	0.004	-0.003	66.627	-0.001	-0.001	0.000	0.000	0.000	0.000
408	H	204	ASN	0	-0.078	-0.025	65.442	-0.001	-0.001	0.000	0.000	0.000	0.000
409	H	205	THR	0	0.025	0.027	68.489	-0.001	-0.001	0.000	0.000	0.000	0.000
410	H	206	LYS	1	0.906	0.949	66.504	-0.045	-0.045	0.000	0.000	0.000	0.000
411	H	207	VAL	0	-0.002	0.006	70.417	-0.001	-0.001	0.000	0.000	0.000	0.000
412	H	208	ASP	-1	-0.812	-0.896	70.537	0.045	0.045	0.000	0.000	0.000	0.000
413	H	209	LYS	1	0.858	0.924	73.514	-0.034	-0.034	0.000	0.000	0.000	0.000
414	H	210	ARG	1	0.863	0.916	76.267	-0.033	-0.033	0.000	0.000	0.000	0.000
415	H	211	VAL	0	0.003	-0.009	77.527	-0.001	-0.001	0.000	0.000	0.000	0.000
416	H	212	GLU	-1	-0.844	-0.900	80.023	0.032	0.032	0.000	0.000	0.000	0.000
417	H	213	PRO	0	-0.011	-0.017	82.669	0.000	0.000	0.000	0.000	0.000	0.000
418	H	214	LYS	1	0.926	0.969	85.128	-0.027	-0.027	0.000	0.000	0.000	0.000
419	H	215	SER	0	0.013	0.010	88.409	0.000	0.000	0.000	0.000	0.000	0.000
420	H	216	CYS	0	-0.017	-0.009	91.480	0.000	0.000	0.000	0.000	0.000	0.000
421	H	217	HIS	0	0.019	0.014	94.916	-0.001	-0.001	0.000	0.000	0.000	0.000
422	H	218	HIS	0	-0.023	-0.018	91.071	0.000	0.000	0.000	0.000	0.000	0.000
423	H	219	HIS	0	-0.005	-0.002	95.513	0.000	0.000	0.000	0.000	0.000	0.000
424	H	220	HIS	0	0.015	0.018	97.591	0.000	0.000	0.000	0.000	0.000	0.000
425	L	1	ASP	-1	-0.864	-0.939	50.263	0.060	0.060	0.000	0.000	0.000	0.000
426	L	2	ILE	0	0.012	0.014	46.366	-0.003	-0.003	0.000	0.000	0.000	0.000
427	L	3	GLN	0	-0.080	-0.035	50.602	-0.001	-0.001	0.000	0.000	0.000	0.000
428	L	4	LEU	0	0.019	0.003	49.276	-0.001	-0.001	0.000	0.000	0.000	0.000
429	L	5	THR	0	0.022	0.010	53.481	-0.001	-0.001	0.000	0.000	0.000	0.000
430	L	6	GLN	0	-0.005	-0.014	55.063	0.002	0.002	0.000	0.000	0.000	0.000
431	L	7	SER	0	-0.040	0.009	57.258	-0.003	-0.003	0.000	0.000	0.000	0.000
432	L	8	PRO	0	0.054	0.018	58.943	0.001	0.001	0.000	0.000	0.000	0.000
433	L	9	SER	0	0.054	0.026	61.029	0.002	0.002	0.000	0.000	0.000	0.000
434	L	10	SER	0	-0.060	-0.029	62.889	0.001	0.001	0.000	0.000	0.000	0.000
435	L	11	LEU	0	0.035	0.007	61.563	-0.001	-0.001	0.000	0.000	0.000	0.000
436	L	12	SER	0	-0.010	-0.014	64.887	0.001	0.001	0.000	0.000	0.000	0.000
437	L	13	ALA	0	-0.039	-0.009	63.647	-0.001	-0.001	0.000	0.000	0.000	0.000
438	L	14	SER	0	-0.020	-0.025	65.794	-0.001	-0.001	0.000	0.000	0.000	0.000
439	L	15	VAL	0	-0.027	-0.022	63.353	0.001	0.001	0.000	0.000	0.000	0.000
440	L	16	GLY	0	-0.006	-0.006	61.882	-0.001	-0.001	0.000	0.000	0.000	0.000
441	L	17	ASP	-1	-0.832	-0.885	62.044	0.041	0.041	0.000	0.000	0.000	0.000
442	L	18	ARG	1	0.977	1.001	56.894	-0.047	-0.047	0.000	0.000	0.000	0.000
443	L	19	VAL	0	-0.029	-0.009	58.146	-0.002	-0.002	0.000	0.000	0.000	0.000
444	L	20	THR	0	-0.052	-0.045	55.679	0.002	0.002	0.000	0.000	0.000	0.000
445	L	21	ILE	0	-0.007	0.021	55.425	-0.002	-0.002	0.000	0.000	0.000	0.000
446	L	22	THR	0	0.006	0.005	54.557	0.001	0.001	0.000	0.000	0.000	0.000
447	L	88	CYS	0	-0.025	-0.012	50.069	0.002	0.002	0.000	0.000	0.000	0.000
448	L	24	GLN	0	-0.007	0.007	52.096	0.000	0.000	0.000	0.000	0.000	0.000
449	L	25	ALA	0	-0.003	-0.006	49.581	0.000	0.000	0.000	0.000	0.000	0.000
450	L	26	SER	0	0.003	0.009	51.532	-0.001	-0.001	0.000	0.000	0.000	0.000
451	L	27	GLN	0	-0.004	-0.012	48.063	-0.001	-0.001	0.000	0.000	0.000	0.000
452	L	28	ASP	-1	-0.873	-0.936	44.434	0.069	0.069	0.000	0.000	0.000	0.000
453	L	29	ILE	0	-0.003	0.007	43.896	0.002	0.002	0.000	0.000	0.000	0.000
454	L	30	SER	0	0.041	0.026	38.688	0.005	0.005	0.000	0.000	0.000	0.000
455	L	31	ASN	0	-0.010	-0.027	38.553	-0.003	-0.003	0.000	0.000	0.000	0.000
456	L	32	TYR	0	-0.016	0.008	35.383	0.002	0.002	0.000	0.000	0.000	0.000
457	L	33	LEU	0	-0.009	-0.013	41.555	-0.003	-0.003	0.000	0.000	0.000	0.000
458	L	34	ASN	0	-0.046	-0.029	42.489	0.006	0.006	0.000	0.000	0.000	0.000
459	L	35	TRP	0	0.052	0.020	45.607	-0.005	-0.005	0.000	0.000	0.000	0.000
460	L	36	TYR	0	-0.046	-0.032	45.382	0.004	0.004	0.000	0.000	0.000	0.000
461	L	37	GLN	0	0.031	0.018	50.292	-0.003	-0.003	0.000	0.000	0.000	0.000
462	L	38	GLN	0	-0.006	-0.014	52.974	0.002	0.002	0.000	0.000	0.000	0.000
463	L	39	ARG	1	0.872	0.925	55.439	-0.066	-0.066	0.000	0.000	0.000	0.000
464	L	40	PRO	0	0.085	0.031	58.343	0.001	0.001	0.000	0.000	0.000	0.000
465	L	41	GLY	0	-0.031	-0.022	60.414	0.000	0.000	0.000	0.000	0.000	0.000
466	L	42	LYS	1	0.867	0.950	55.304	-0.057	-0.057	0.000	0.000	0.000	0.000
467	L	43	ALA	0	0.076	0.049	51.727	-0.001	-0.001	0.000	0.000	0.000	0.000
468	L	44	PRO	0	-0.038	-0.021	50.417	0.000	0.000	0.000	0.000	0.000	0.000
469	L	45	LYS	1	0.926	0.981	47.136	-0.087	-0.087	0.000	0.000	0.000	0.000
470	L	46	LEU	0	-0.004	0.010	42.293	-0.003	-0.003	0.000	0.000	0.000	0.000
471	L	47	LEU	0	-0.069	-0.036	46.532	0.002	0.002	0.000	0.000	0.000	0.000
472	L	48	ILE	0	0.021	-0.001	44.761	0.002	0.002	0.000	0.000	0.000	0.000
473	L	49	TYR	0	0.035	0.014	37.410	0.000	0.000	0.000	0.000	0.000	0.000
474	L	50	ASP	-1	-0.772	-0.862	37.476	0.129	0.129	0.000	0.000	0.000	0.000
475	L	51	ALA	0	-0.005	0.006	40.904	0.000	0.000	0.000	0.000	0.000	0.000
476	L	52	SER	0	-0.057	-0.044	41.960	-0.003	-0.003	0.000	0.000	0.000	0.000
477	L	53	ASN	0	-0.038	0.000	38.265	0.003	0.003	0.000	0.000	0.000	0.000
478	L	54	LEU	0	-0.013	-0.004	41.447	0.000	0.000	0.000	0.000	0.000	0.000
479	L	55	GLU	-1	-0.774	-0.868	40.435	0.133	0.133	0.000	0.000	0.000	0.000
480	L	56	THR	0	-0.064	-0.049	39.947	-0.008	-0.008	0.000	0.000	0.000	0.000
481	L	57	GLY	0	-0.020	-0.017	42.145	-0.002	-0.002	0.000	0.000	0.000	0.000
482	L	58	VAL	0	-0.064	-0.018	45.517	-0.006	-0.006	0.000	0.000	0.000	0.000
483	L	59	PRO	0	0.002	-0.008	47.139	0.001	0.001	0.000	0.000	0.000	0.000
484	L	60	SER	0	0.059	0.009	47.795	0.000	0.000	0.000	0.000	0.000	0.000
485	L	61	ARG	1	0.748	0.855	49.208	-0.063	-0.063	0.000	0.000	0.000	0.000
486	L	62	PHE	0	0.016	0.025	49.378	-0.003	-0.003	0.000	0.000	0.000	0.000
487	L	63	SER	0	-0.021	-0.016	48.369	0.002	0.002	0.000	0.000	0.000	0.000
488	L	64	GLY	0	0.019	0.018	47.011	-0.002	-0.002	0.000	0.000	0.000	0.000
489	L	65	SER	0	-0.025	-0.021	46.647	0.002	0.002	0.000	0.000	0.000	0.000
490	L	66	GLY	0	0.071	0.040	46.698	-0.001	-0.001	0.000	0.000	0.000	0.000
491	L	67	SER	0	-0.053	-0.047	43.573	0.006	0.006	0.000	0.000	0.000	0.000
492	L	68	GLY	0	0.047	0.050	44.583	-0.004	-0.004	0.000	0.000	0.000	0.000
493	L	69	THR	0	-0.006	-0.012	46.174	0.002	0.002	0.000	0.000	0.000	0.000
494	L	70	ASP	-1	-0.880	-0.915	49.424	0.049	0.049	0.000	0.000	0.000	0.000
495	L	71	PHE	0	-0.036	-0.015	45.049	0.003	0.003	0.000	0.000	0.000	0.000
496	L	72	THR	0	-0.007	-0.020	50.159	-0.004	-0.004	0.000	0.000	0.000	0.000
497	L	73	PHE	0	-0.016	0.006	50.020	0.004	0.004	0.000	0.000	0.000	0.000
498	L	74	THR	0	-0.035	-0.033	51.770	-0.003	-0.003	0.000	0.000	0.000	0.000
499	L	75	ILE	0	-0.008	0.001	52.700	0.003	0.003	0.000	0.000	0.000	0.000
500	L	76	SER	0	-0.049	-0.037	53.596	-0.004	-0.004	0.000	0.000	0.000	0.000
501	L	77	SER	0	0.020	-0.005	55.541	-0.002	-0.002	0.000	0.000	0.000	0.000
502	L	78	LEU	0	-0.079	-0.028	58.381	0.002	0.002	0.000	0.000	0.000	0.000
503	L	79	GLN	0	-0.003	-0.006	58.068	-0.003	-0.003	0.000	0.000	0.000	0.000
504	L	80	PRO	0	0.034	0.019	60.498	0.000	0.000	0.000	0.000	0.000	0.000
505	L	81	GLU	-1	-0.820	-0.897	57.413	0.058	0.058	0.000	0.000	0.000	0.000
506	L	82	ASP	-1	-0.735	-0.845	56.455	0.064	0.064	0.000	0.000	0.000	0.000
507	L	83	ILE	0	-0.042	0.028	58.488	0.001	0.001	0.000	0.000	0.000	0.000
508	L	84	ALA	0	-0.044	-0.039	57.180	0.002	0.002	0.000	0.000	0.000	0.000
509	L	85	THR	0	-0.007	0.004	57.926	-0.002	-0.002	0.000	0.000	0.000	0.000
510	L	86	TYR	0	-0.030	-0.031	53.334	0.004	0.004	0.000	0.000	0.000	0.000
511	L	87	TYR	0	0.009	-0.004	52.421	-0.003	-0.003	0.000	0.000	0.000	0.000
512	L	89	GLN	0	0.043	0.032	43.819	-0.001	-0.001	0.000	0.000	0.000	0.000
513	L	90	GLN	0	0.076	0.042	45.274	0.006	0.006	0.000	0.000	0.000	0.000
514	L	91	TYR	0	-0.080	-0.090	37.699	0.001	0.001	0.000	0.000	0.000	0.000
515	L	92	ASP	-1	-0.797	-0.875	40.789	0.093	0.093	0.000	0.000	0.000	0.000
516	L	93	ASN	0	-0.031	-0.022	40.845	0.002	0.002	0.000	0.000	0.000	0.000
517	L	94	PRO	0	-0.068	-0.002	41.502	-0.002	-0.002	0.000	0.000	0.000	0.000
518	L	95	PRO	0	0.007	0.000	44.451	-0.002	-0.002	0.000	0.000	0.000	0.000
519	L	96	LEU	0	-0.007	-0.005	42.522	-0.001	-0.001	0.000	0.000	0.000	0.000
520	L	97	THR	0	-0.030	-0.021	46.544	-0.001	-0.001	0.000	0.000	0.000	0.000
521	L	98	PHE	0	-0.009	-0.031	48.795	0.003	0.003	0.000	0.000	0.000	0.000
522	L	99	GLY	0	0.028	0.017	51.649	-0.002	-0.002	0.000	0.000	0.000	0.000
523	L	100	GLY	0	-0.040	-0.021	54.344	0.000	0.000	0.000	0.000	0.000	0.000
524	L	101	GLY	0	-0.032	-0.025	56.903	0.000	0.000	0.000	0.000	0.000	0.000
525	L	102	THR	0	-0.025	-0.019	57.866	-0.002	-0.002	0.000	0.000	0.000	0.000
526	L	103	LYS	1	0.802	0.909	59.280	-0.044	-0.044	0.000	0.000	0.000	0.000
527	L	104	LEU	0	-0.003	0.001	58.723	-0.001	-0.001	0.000	0.000	0.000	0.000
528	L	105	GLU	-1	-0.850	-0.928	62.045	0.043	0.043	0.000	0.000	0.000	0.000
529	L	106	ILE	0	0.004	-0.004	63.174	0.000	0.000	0.000	0.000	0.000	0.000
530	L	107	LYS	1	0.939	0.971	66.523	-0.036	-0.036	0.000	0.000	0.000	0.000
531	L	108	ARG	1	0.874	0.929	69.402	-0.037	-0.037	0.000	0.000	0.000	0.000
532	L	109	THR	0	0.015	-0.005	71.635	-0.001	-0.001	0.000	0.000	0.000	0.000
533	L	110	VAL	0	-0.020	-0.009	75.080	0.001	0.001	0.000	0.000	0.000	0.000
534	L	111	ALA	0	-0.029	-0.014	76.264	0.000	0.000	0.000	0.000	0.000	0.000
535	L	112	ALA	0	0.034	0.010	78.168	0.000	0.000	0.000	0.000	0.000	0.000
536	L	113	PRO	0	0.006	0.014	79.507	0.001	0.001	0.000	0.000	0.000	0.000
537	L	114	SER	0	-0.037	-0.012	79.856	-0.001	-0.001	0.000	0.000	0.000	0.000
538	L	115	VAL	0	-0.015	-0.007	81.154	0.001	0.001	0.000	0.000	0.000	0.000
539	L	116	PHE	0	-0.022	-0.018	80.661	-0.001	-0.001	0.000	0.000	0.000	0.000
540	L	117	ILE	0	0.005	-0.001	84.279	0.000	0.000	0.000	0.000	0.000	0.000
541	L	118	PHE	0	-0.025	-0.003	80.853	0.000	0.000	0.000	0.000	0.000	0.000
542	L	119	PRO	0	0.018	0.014	85.828	0.000	0.000	0.000	0.000	0.000	0.000
543	L	120	PRO	0	-0.003	-0.004	86.922	0.001	0.001	0.000	0.000	0.000	0.000
544	L	121	SER	0	0.042	0.033	84.945	0.000	0.000	0.000	0.000	0.000	0.000
545	L	122	ASP	-1	-0.816	-0.935	87.127	0.026	0.026	0.000	0.000	0.000	0.000
546	L	123	GLU	-1	-0.875	-0.946	83.547	0.031	0.031	0.000	0.000	0.000	0.000
547	L	124	GLN	0	0.014	0.002	84.588	0.000	0.000	0.000	0.000	0.000	0.000
548	L	125	LEU	0	0.017	0.031	86.420	0.000	0.000	0.000	0.000	0.000	0.000
549	L	126	LYS	1	0.901	0.950	89.216	-0.027	-0.027	0.000	0.000	0.000	0.000
550	L	127	SER	0	-0.082	-0.049	86.398	0.000	0.000	0.000	0.000	0.000	0.000
551	L	128	GLY	0	0.032	0.022	88.352	0.000	0.000	0.000	0.000	0.000	0.000
552	L	129	THR	0	-0.045	-0.021	86.525	0.000	0.000	0.000	0.000	0.000	0.000
553	L	130	ALA	0	0.008	0.003	88.544	0.000	0.000	0.000	0.000	0.000	0.000
554	L	131	SER	0	-0.017	-0.010	83.899	0.000	0.000	0.000	0.000	0.000	0.000
555	L	132	VAL	0	-0.023	0.010	85.865	0.000	0.000	0.000	0.000	0.000	0.000
556	L	133	VAL	0	0.005	0.002	80.448	0.000	0.000	0.000	0.000	0.000	0.000
557	L	194	CYS	0	-0.080	-0.016	83.363	0.000	0.000	0.000	0.000	0.000	0.000
558	L	135	LEU	0	-0.014	0.000	76.883	0.001	0.001	0.000	0.000	0.000	0.000
559	L	136	LEU	0	0.007	0.000	79.396	-0.001	-0.001	0.000	0.000	0.000	0.000
560	L	137	ASN	0	0.000	-0.020	75.227	0.001	0.001	0.000	0.000	0.000	0.000
561	L	138	ASN	0	0.031	0.004	71.982	-0.001	-0.001	0.000	0.000	0.000	0.000
562	L	139	PHE	0	-0.017	0.002	75.102	-0.001	-0.001	0.000	0.000	0.000	0.000
563	L	140	TYR	0	0.073	0.031	71.164	0.001	0.001	0.000	0.000	0.000	0.000
564	L	141	PRO	0	0.023	0.015	75.192	-0.001	-0.001	0.000	0.000	0.000	0.000
565	L	142	ARG	1	0.932	0.958	72.046	-0.036	-0.036	0.000	0.000	0.000	0.000
566	L	143	GLU	-1	-0.864	-0.913	75.510	0.033	0.033	0.000	0.000	0.000	0.000
567	L	144	ALA	0	0.043	0.018	78.820	-0.001	-0.001	0.000	0.000	0.000	0.000
568	L	145	LYS	1	0.859	0.935	81.501	-0.028	-0.028	0.000	0.000	0.000	0.000
569	L	146	VAL	0	0.057	0.021	82.770	0.000	0.000	0.000	0.000	0.000	0.000
570	L	147	GLN	0	-0.001	0.004	85.626	0.000	0.000	0.000	0.000	0.000	0.000
571	L	148	TRP	0	0.013	-0.001	85.354	0.000	0.000	0.000	0.000	0.000	0.000
572	L	149	LYS	1	0.837	0.909	90.412	-0.023	-0.023	0.000	0.000	0.000	0.000
573	L	150	VAL	0	0.003	-0.016	93.548	0.000	0.000	0.000	0.000	0.000	0.000
574	L	151	ASP	-1	-0.759	-0.885	95.974	0.020	0.020	0.000	0.000	0.000	0.000
575	L	152	ASN	0	-0.064	-0.037	98.118	0.000	0.000	0.000	0.000	0.000	0.000
576	L	153	ALA	0	0.036	0.040	98.339	0.000	0.000	0.000	0.000	0.000	0.000
577	L	154	LEU	0	-0.012	0.001	93.733	0.000	0.000	0.000	0.000	0.000	0.000
578	L	155	GLN	0	0.002	0.009	91.148	0.000	0.000	0.000	0.000	0.000	0.000
579	L	156	SER	0	-0.002	-0.011	90.124	0.001	0.001	0.000	0.000	0.000	0.000
580	L	157	GLY	0	0.029	0.016	87.392	0.000	0.000	0.000	0.000	0.000	0.000
581	L	158	ASN	0	-0.013	-0.009	87.375	0.000	0.000	0.000	0.000	0.000	0.000
582	L	159	SER	0	-0.009	-0.014	84.916	0.000	0.000	0.000	0.000	0.000	0.000
583	L	160	GLN	0	-0.074	-0.042	79.187	0.000	0.000	0.000	0.000	0.000	0.000
584	L	161	GLU	-1	-0.903	-0.958	78.828	0.031	0.031	0.000	0.000	0.000	0.000
585	L	162	SER	0	-0.043	-0.030	73.594	0.001	0.001	0.000	0.000	0.000	0.000
586	L	163	VAL	0	0.017	0.002	72.932	-0.001	-0.001	0.000	0.000	0.000	0.000
587	L	164	THR	0	-0.016	-0.003	69.452	0.001	0.001	0.000	0.000	0.000	0.000
588	L	165	GLU	-1	-0.848	-0.937	64.800	0.044	0.044	0.000	0.000	0.000	0.000
589	L	166	GLN	0	-0.044	-0.011	66.369	0.001	0.001	0.000	0.000	0.000	0.000
590	L	167	ASP	-1	-0.790	-0.894	65.642	0.049	0.049	0.000	0.000	0.000	0.000
591	L	168	SER	0	-0.077	-0.045	61.430	0.001	0.001	0.000	0.000	0.000	0.000
592	L	169	LYS	1	0.914	0.948	62.903	-0.049	-0.049	0.000	0.000	0.000	0.000
593	L	170	ASP	-1	-0.781	-0.857	65.301	0.041	0.041	0.000	0.000	0.000	0.000
594	L	171	SER	0	-0.013	0.002	66.097	-0.002	-0.002	0.000	0.000	0.000	0.000
595	L	172	THR	0	-0.096	-0.061	68.304	-0.001	-0.001	0.000	0.000	0.000	0.000
596	L	173	TYR	0	0.025	0.006	69.709	0.001	0.001	0.000	0.000	0.000	0.000
597	L	174	SER	0	0.067	0.029	72.684	-0.001	-0.001	0.000	0.000	0.000	0.000
598	L	175	LEU	0	-0.033	-0.006	74.396	0.001	0.001	0.000	0.000	0.000	0.000
599	L	176	SER	0	-0.010	0.000	76.752	-0.001	-0.001	0.000	0.000	0.000	0.000
600	L	177	SER	0	0.069	0.028	78.420	0.000	0.000	0.000	0.000	0.000	0.000
601	L	178	THR	0	-0.009	-0.008	80.385	0.000	0.000	0.000	0.000	0.000	0.000
602	L	179	LEU	0	0.024	0.021	82.926	0.000	0.000	0.000	0.000	0.000	0.000
603	L	180	THR	0	-0.049	-0.027	83.587	0.000	0.000	0.000	0.000	0.000	0.000
604	L	181	LEU	0	0.007	0.023	86.855	0.000	0.000	0.000	0.000	0.000	0.000
605	L	182	SER	0	0.038	-0.013	89.764	0.000	0.000	0.000	0.000	0.000	0.000
606	L	183	LYS	1	0.874	0.915	91.916	-0.024	-0.024	0.000	0.000	0.000	0.000
607	L	184	ALA	0	0.047	0.020	93.610	0.000	0.000	0.000	0.000	0.000	0.000
608	L	185	ASP	-1	-0.793	-0.877	94.467	0.022	0.022	0.000	0.000	0.000	0.000
609	L	186	TYR	0	0.007	0.008	92.509	0.000	0.000	0.000	0.000	0.000	0.000
610	L	187	GLU	-1	-0.866	-0.935	94.869	0.023	0.023	0.000	0.000	0.000	0.000
611	L	188	LYS	1	0.868	0.934	98.015	-0.022	-0.022	0.000	0.000	0.000	0.000
612	L	189	HIS	0	-0.027	0.007	96.631	-0.001	-0.001	0.000	0.000	0.000	0.000
613	L	190	LYS	1	0.859	0.920	98.854	-0.020	-0.020	0.000	0.000	0.000	0.000
614	L	191	VAL	0	0.014	0.026	96.787	0.000	0.000	0.000	0.000	0.000	0.000
615	L	192	TYR	0	-0.016	-0.016	91.992	0.000	0.000	0.000	0.000	0.000	0.000
616	L	193	ALA	0	0.025	-0.007	92.284	0.000	0.000	0.000	0.000	0.000	0.000
617	L	195	GLU	-1	-0.840	-0.909	89.389	0.023	0.023	0.000	0.000	0.000	0.000
618	L	196	VAL	0	0.021	0.003	84.004	0.000	0.000	0.000	0.000	0.000	0.000
619	L	197	THR	0	-0.014	-0.016	86.225	-0.001	-0.001	0.000	0.000	0.000	0.000
620	L	198	HIS	0	0.016	-0.010	78.743	0.000	0.000	0.000	0.000	0.000	0.000
621	L	199	GLN	0	0.059	0.035	80.696	0.000	0.000	0.000	0.000	0.000	0.000
622	L	200	GLY	0	-0.004	-0.017	82.257	0.000	0.000	0.000	0.000	0.000	0.000
623	L	201	LEU	0	-0.089	-0.033	83.080	0.000	0.000	0.000	0.000	0.000	0.000
624	L	202	SER	0	0.038	0.016	86.399	0.000	0.000	0.000	0.000	0.000	0.000
625	L	203	SER	0	-0.032	-0.020	89.520	-0.001	-0.001	0.000	0.000	0.000	0.000
626	L	204	PRO	0	0.011	0.002	89.598	0.001	0.001	0.000	0.000	0.000	0.000
627	L	205	VAL	0	0.002	0.017	87.910	0.000	0.000	0.000	0.000	0.000	0.000
628	L	206	THR	0	0.028	0.003	89.361	0.000	0.000	0.000	0.000	0.000	0.000
629	L	207	LYS	1	0.850	0.941	87.046	-0.027	-0.027	0.000	0.000	0.000	0.000
630	L	208	SER	0	0.028	0.002	90.538	0.000	0.000	0.000	0.000	0.000	0.000
631	L	209	PHE	0	-0.023	-0.009	89.920	0.000	0.000	0.000	0.000	0.000	0.000
632	L	210	ASN	0	0.016	0.003	94.135	0.000	0.000	0.000	0.000	0.000	0.000
633	L	211	ARG	1	0.834	0.902	95.291	-0.022	-0.022	0.000	0.000	0.000	0.000
634	L	212	GLY	0	-0.026	-0.011	95.851	0.000	0.000	0.000	0.000	0.000	0.000
635	L	213	GLU	-1	-0.928	-0.935	94.825	0.022	0.022	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:334:ASN )