FMO DATABASE

FMODB ID: 3NYLL

Calculation Name: 7M7B-AHL-Other297

Preferred Name:

Target Type:

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

ligand 3-letter code: NAG

PDB ID: 7M7B

Chain ID: AHL

ChEMBL ID:

UniProt ID:

Base Structure: ElectronMicroscopy

Registration Date: 2021-08-02

Reference: C. Watanabe, K. Kamisaka, T. Honma et al., Interaction energy analysis between SARS-CoV-2 spike protein and antibodiy, To be pubulished.

DOI:

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. 2.20210516

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	627
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-12633485.988275
FMO2-HF: Nuclear repulsion	12391341.200703
FMO2-HF: Total energy	-242144.787571
FMO2-MP2: Total energy	-242853.321329

3D Structure

Snapshot

Ligand structure

Ligand Interaction

SARS-CoV-2 spike protein and antibody binding energy (frag 1-205 : frag 206-627)

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.
-177.0198	-140.8018	170.0419	-83.0215	-123.2384	-0.2766

Interactive mode: IFIE and PIEDA for fragment #1(A:329:PHE )

Summations of interaction energy for fragment #1(A:329:PHE )

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.
-20.068	-11.97	9.873	-6.703	-11.268	-0.034

Interaction energy analysis for fragmet #1(A:329:PHE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.021 / q_NPA : -0.019

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	331	ASN	0	0.023	0.006	3.766	-2.252	-0.928	-0.002	-0.688	-0.634	0.002
4	A	332	ILE	0	-0.011	0.005	4.827	0.487	0.487	0.000	0.000	0.000	0.000
5	A	333	THR	0	-0.018	-0.016	7.151	0.279	0.279	0.000	0.000	0.000	0.000
6	A	334	ASN	0	-0.017	-0.020	9.783	0.038	0.038	0.000	0.000	0.000	0.000
7	A	335	LEU	0	0.038	0.023	11.031	0.042	0.042	0.000	0.000	0.000	0.000
8	A	361	CYS	0	-0.039	0.016	12.684	0.028	0.028	0.000	0.000	0.000	0.000
9	A	337	PRO	0	0.076	0.041	15.792	-0.027	-0.027	0.000	0.000	0.000	0.000
10	A	338	PHE	0	-0.008	-0.016	16.056	0.013	0.013	0.000	0.000	0.000	0.000
11	A	339	GLY	0	0.024	0.009	20.567	0.005	0.005	0.000	0.000	0.000	0.000
12	A	340	GLU	-1	-0.833	-0.918	22.561	-0.068	-0.068	0.000	0.000	0.000	0.000
13	A	341	VAL	0	-0.055	-0.021	23.468	0.009	0.009	0.000	0.000	0.000	0.000
14	A	342	PHE	0	0.011	-0.005	22.965	0.005	0.005	0.000	0.000	0.000	0.000
15	A	343	ASN	0	-0.006	-0.004	25.645	0.004	0.004	0.000	0.000	0.000	0.000
16	A	344	ALA	0	0.023	0.035	28.047	0.003	0.003	0.000	0.000	0.000	0.000
17	A	345	THR	0	0.031	-0.001	30.195	0.001	0.001	0.000	0.000	0.000	0.000
18	A	346	ARG	1	0.938	0.984	33.692	0.046	0.046	0.000	0.000	0.000	0.000
19	A	347	PHE	0	0.025	0.017	29.760	0.000	0.000	0.000	0.000	0.000	0.000
20	A	348	ALA	0	-0.002	0.003	34.842	0.003	0.003	0.000	0.000	0.000	0.000
21	A	349	SER	0	0.038	0.007	36.677	-0.003	-0.003	0.000	0.000	0.000	0.000
22	A	350	VAL	0	0.026	0.025	37.249	0.002	0.002	0.000	0.000	0.000	0.000
23	A	351	TYR	0	0.000	-0.001	38.707	0.001	0.001	0.000	0.000	0.000	0.000
24	A	352	ALA	0	-0.067	-0.032	39.000	0.003	0.003	0.000	0.000	0.000	0.000
25	A	353	TRP	0	-0.059	-0.004	31.306	-0.002	-0.002	0.000	0.000	0.000	0.000
26	A	354	ASN	0	0.051	0.028	31.362	0.009	0.009	0.000	0.000	0.000	0.000
27	A	355	ARG	1	0.812	0.872	27.823	0.011	0.011	0.000	0.000	0.000	0.000
28	A	356	LYS	1	0.820	0.913	23.988	0.060	0.060	0.000	0.000	0.000	0.000
29	A	357	ARG	1	0.909	0.952	20.750	-0.055	-0.055	0.000	0.000	0.000	0.000
30	A	358	ILE	0	-0.023	-0.014	17.665	-0.007	-0.007	0.000	0.000	0.000	0.000
31	A	359	SER	0	0.037	-0.018	17.716	0.019	0.019	0.000	0.000	0.000	0.000
32	A	360	ASN	0	-0.005	0.012	14.381	-0.034	-0.034	0.000	0.000	0.000	0.000
33	A	362	VAL	0	0.007	0.012	7.833	0.058	0.058	0.000	0.000	0.000	0.000
34	A	363	ALA	0	0.039	-0.001	10.656	-0.078	-0.078	0.000	0.000	0.000	0.000
35	A	364	ASP	-1	-0.822	-0.914	11.621	-0.666	-0.666	0.000	0.000	0.000	0.000
36	A	365	TYR	0	0.072	0.013	13.000	0.005	0.005	0.000	0.000	0.000	0.000
37	A	366	SER	0	0.025	0.027	15.204	0.009	0.009	0.000	0.000	0.000	0.000
38	A	367	VAL	0	-0.059	-0.029	16.230	0.019	0.019	0.000	0.000	0.000	0.000
39	A	368	LEU	0	-0.045	-0.010	18.785	0.028	0.028	0.000	0.000	0.000	0.000
40	A	369	TYR	0	0.037	0.010	14.903	-0.010	-0.010	0.000	0.000	0.000	0.000
41	A	370	ASN	0	-0.061	-0.047	17.905	0.010	0.010	0.000	0.000	0.000	0.000
42	A	371	SER	0	0.015	0.032	22.040	-0.006	-0.006	0.000	0.000	0.000	0.000
43	A	372	ALA	0	0.036	0.006	24.119	0.012	0.012	0.000	0.000	0.000	0.000
44	A	373	SER	0	-0.060	-0.018	27.450	0.015	0.015	0.000	0.000	0.000	0.000
45	A	374	PHE	0	-0.009	0.011	24.224	0.010	0.010	0.000	0.000	0.000	0.000
46	A	375	SER	0	0.037	0.032	29.763	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	376	THR	0	-0.004	-0.007	31.356	0.003	0.003	0.000	0.000	0.000	0.000
48	A	377	PHE	0	0.004	-0.013	22.299	-0.006	-0.006	0.000	0.000	0.000	0.000
49	A	378	LYS	1	0.788	0.885	26.156	0.083	0.083	0.000	0.000	0.000	0.000
50	A	432	CYS	0	-0.140	-0.054	22.731	-0.010	-0.010	0.000	0.000	0.000	0.000
51	A	380	TYR	0	0.061	0.030	24.797	0.000	0.000	0.000	0.000	0.000	0.000
52	A	381	GLY	0	0.050	0.027	23.797	0.005	0.005	0.000	0.000	0.000	0.000
53	A	382	VAL	0	-0.044	-0.023	18.555	0.004	0.004	0.000	0.000	0.000	0.000
54	A	383	SER	0	0.018	-0.013	19.266	0.000	0.000	0.000	0.000	0.000	0.000
55	A	384	PRO	0	0.037	-0.002	18.519	-0.004	-0.004	0.000	0.000	0.000	0.000
56	A	385	THR	0	-0.064	-0.032	16.866	-0.016	-0.016	0.000	0.000	0.000	0.000
57	A	386	LYS	1	0.856	0.940	14.538	0.103	0.103	0.000	0.000	0.000	0.000
58	A	387	LEU	0	0.031	0.028	14.634	0.048	0.048	0.000	0.000	0.000	0.000
59	A	388	ASN	0	-0.020	-0.051	10.703	-0.005	-0.005	0.000	0.000	0.000	0.000
60	A	389	ASP	-1	-0.913	-0.944	8.550	-0.120	-0.120	0.000	0.000	0.000	0.000
61	A	390	LEU	0	0.008	0.004	8.994	0.183	0.183	0.000	0.000	0.000	0.000
62	A	525	CYS	0	-0.107	-0.067	8.674	0.205	0.205	0.000	0.000	0.000	0.000
63	A	392	PHE	0	0.049	0.025	12.185	-0.030	-0.030	0.000	0.000	0.000	0.000
64	A	393	THR	0	0.036	0.028	15.045	0.024	0.024	0.000	0.000	0.000	0.000
65	A	394	ASN	0	-0.046	-0.019	17.235	0.008	0.008	0.000	0.000	0.000	0.000
66	A	395	VAL	0	0.018	0.019	17.972	-0.003	-0.003	0.000	0.000	0.000	0.000
67	A	396	TYR	0	-0.090	-0.061	20.777	-0.003	-0.003	0.000	0.000	0.000	0.000
68	A	397	ALA	0	0.007	-0.002	23.385	-0.008	-0.008	0.000	0.000	0.000	0.000
69	A	398	ASP	-1	-0.685	-0.784	25.297	-0.025	-0.025	0.000	0.000	0.000	0.000
70	A	399	SER	0	-0.018	-0.011	29.096	-0.006	-0.006	0.000	0.000	0.000	0.000
71	A	400	PHE	0	-0.016	-0.015	31.094	0.006	0.006	0.000	0.000	0.000	0.000
72	A	401	VAL	0	-0.004	0.006	34.560	-0.006	-0.006	0.000	0.000	0.000	0.000
73	A	402	ILE	0	-0.013	0.005	36.955	0.005	0.005	0.000	0.000	0.000	0.000
74	A	403	ARG	1	0.774	0.861	39.850	0.042	0.042	0.000	0.000	0.000	0.000
75	A	404	GLY	0	0.046	0.023	39.308	-0.001	-0.001	0.000	0.000	0.000	0.000
76	A	405	ASP	-1	-0.843	-0.911	39.838	-0.049	-0.049	0.000	0.000	0.000	0.000
77	A	406	GLU	-1	-0.794	-0.871	40.783	-0.043	-0.043	0.000	0.000	0.000	0.000
78	A	407	VAL	0	0.005	0.007	34.715	0.002	0.002	0.000	0.000	0.000	0.000
79	A	408	ARG	1	0.827	0.910	36.500	0.049	0.049	0.000	0.000	0.000	0.000
80	A	409	GLN	0	0.026	-0.002	38.267	0.003	0.003	0.000	0.000	0.000	0.000
81	A	410	ILE	0	-0.043	-0.009	32.739	0.004	0.004	0.000	0.000	0.000	0.000
82	A	411	ALA	0	0.043	0.002	32.882	-0.005	-0.005	0.000	0.000	0.000	0.000
83	A	412	PRO	0	0.020	0.012	31.014	0.003	0.003	0.000	0.000	0.000	0.000
84	A	413	GLY	0	0.028	0.020	34.122	-0.003	-0.003	0.000	0.000	0.000	0.000
85	A	414	GLN	0	-0.086	-0.004	36.921	0.000	0.000	0.000	0.000	0.000	0.000
86	A	415	THR	0	-0.027	-0.043	39.440	0.003	0.003	0.000	0.000	0.000	0.000
87	A	416	GLY	0	0.031	0.009	42.829	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	417	LYS	1	0.867	0.928	44.198	0.025	0.025	0.000	0.000	0.000	0.000
89	A	418	ILE	0	0.002	0.016	39.172	0.002	0.002	0.000	0.000	0.000	0.000
90	A	419	ALA	0	0.057	0.038	39.384	0.001	0.001	0.000	0.000	0.000	0.000
91	A	420	ASP	-1	-0.759	-0.851	40.265	-0.022	-0.022	0.000	0.000	0.000	0.000
92	A	421	TYR	0	-0.071	-0.038	43.008	0.003	0.003	0.000	0.000	0.000	0.000
93	A	422	ASN	0	-0.011	-0.012	40.437	0.001	0.001	0.000	0.000	0.000	0.000
94	A	423	TYR	0	0.021	-0.035	30.679	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	424	LYS	1	0.882	0.955	37.100	0.021	0.021	0.000	0.000	0.000	0.000
96	A	425	LEU	0	0.002	0.007	30.860	0.002	0.002	0.000	0.000	0.000	0.000
97	A	426	PRO	0	-0.008	-0.006	29.702	0.001	0.001	0.000	0.000	0.000	0.000
98	A	427	ASP	-1	-0.862	-0.942	32.280	-0.026	-0.026	0.000	0.000	0.000	0.000
99	A	428	ASP	-1	-0.936	-0.969	29.216	-0.008	-0.008	0.000	0.000	0.000	0.000
100	A	429	PHE	0	-0.068	-0.029	27.296	0.002	0.002	0.000	0.000	0.000	0.000
101	A	430	THR	0	0.031	0.018	22.439	-0.006	-0.006	0.000	0.000	0.000	0.000
102	A	431	GLY	0	0.007	-0.008	23.414	0.008	0.008	0.000	0.000	0.000	0.000
103	A	433	VAL	0	0.034	0.023	25.423	0.006	0.006	0.000	0.000	0.000	0.000
104	A	434	ILE	0	-0.023	-0.011	24.612	-0.010	-0.010	0.000	0.000	0.000	0.000
105	A	435	ALA	0	0.018	0.013	28.572	0.008	0.008	0.000	0.000	0.000	0.000
106	A	436	TRP	0	-0.019	-0.021	28.843	-0.009	-0.009	0.000	0.000	0.000	0.000
107	A	437	ASN	0	0.010	0.004	33.449	0.009	0.009	0.000	0.000	0.000	0.000
108	A	438	SER	0	-0.027	-0.044	35.837	-0.006	-0.006	0.000	0.000	0.000	0.000
109	A	439	ASN	0	0.009	0.014	37.508	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	440	ASN	0	0.005	0.000	36.268	0.004	0.004	0.000	0.000	0.000	0.000
111	A	441	LEU	0	-0.053	-0.019	34.117	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	442	ASP	-1	-0.755	-0.834	37.824	-0.064	-0.064	0.000	0.000	0.000	0.000
113	A	443	SER	0	-0.032	-0.013	40.672	0.003	0.003	0.000	0.000	0.000	0.000
114	A	444	LYS	1	0.887	0.935	44.007	0.041	0.041	0.000	0.000	0.000	0.000
115	A	445	VAL	0	0.068	0.031	47.186	0.001	0.001	0.000	0.000	0.000	0.000
116	A	446	GLY	0	0.039	0.031	50.895	0.001	0.001	0.000	0.000	0.000	0.000
117	A	447	GLY	0	0.018	0.026	49.147	0.002	0.002	0.000	0.000	0.000	0.000
118	A	448	ASN	0	-0.065	-0.049	42.459	0.003	0.003	0.000	0.000	0.000	0.000
119	A	449	TYR	0	0.028	0.000	45.514	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	450	ASN	0	-0.030	-0.023	43.455	0.003	0.003	0.000	0.000	0.000	0.000
121	A	451	TYR	0	-0.075	-0.031	37.979	0.001	0.001	0.000	0.000	0.000	0.000
122	A	452	LEU	0	0.009	-0.010	42.957	0.001	0.001	0.000	0.000	0.000	0.000
123	A	453	TYR	0	-0.007	-0.007	42.698	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	454	ARG	1	0.840	0.891	44.055	0.018	0.018	0.000	0.000	0.000	0.000
125	A	455	LEU	0	0.002	0.006	46.422	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	456	PHE	0	0.013	-0.004	49.532	0.000	0.000	0.000	0.000	0.000	0.000
127	A	457	ARG	1	0.810	0.895	44.656	0.012	0.012	0.000	0.000	0.000	0.000
128	A	458	LYS	1	0.891	0.925	49.596	0.007	0.007	0.000	0.000	0.000	0.000
129	A	459	SER	0	0.009	0.010	47.049	0.001	0.001	0.000	0.000	0.000	0.000
130	A	460	ASN	0	-0.008	-0.010	43.635	0.000	0.000	0.000	0.000	0.000	0.000
131	A	461	LEU	0	-0.056	-0.013	39.038	0.002	0.002	0.000	0.000	0.000	0.000
132	A	462	LYS	1	0.844	0.909	37.989	0.003	0.003	0.000	0.000	0.000	0.000
133	A	463	PRO	0	0.032	-0.006	33.448	-0.001	-0.001	0.000	0.000	0.000	0.000
134	A	464	PHE	0	-0.025	-0.011	28.499	0.004	0.004	0.000	0.000	0.000	0.000
135	A	465	GLU	-1	-0.797	-0.862	33.813	-0.004	-0.004	0.000	0.000	0.000	0.000
136	A	466	ARG	1	0.845	0.916	33.047	0.014	0.014	0.000	0.000	0.000	0.000
137	A	467	ASP	-1	-0.764	-0.850	38.939	-0.009	-0.009	0.000	0.000	0.000	0.000
138	A	468	ILE	0	0.048	0.022	41.048	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	469	SER	0	-0.018	-0.017	43.883	0.001	0.001	0.000	0.000	0.000	0.000
140	A	470	THR	0	-0.036	-0.025	47.317	-0.002	-0.002	0.000	0.000	0.000	0.000
141	A	471	GLU	-1	-0.868	-0.907	50.002	-0.008	-0.008	0.000	0.000	0.000	0.000
142	A	472	ILE	0	0.006	0.003	52.957	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	473	TYR	0	0.000	0.000	53.105	0.001	0.001	0.000	0.000	0.000	0.000
144	A	474	GLN	0	0.030	0.008	55.351	0.000	0.000	0.000	0.000	0.000	0.000
145	A	475	ALA	0	-0.034	-0.016	57.523	0.000	0.000	0.000	0.000	0.000	0.000
146	A	476	GLY	0	0.018	0.005	58.661	0.000	0.000	0.000	0.000	0.000	0.000
147	A	477	SER	0	-0.005	-0.014	61.922	0.000	0.000	0.000	0.000	0.000	0.000
148	A	478	THR	0	-0.023	-0.005	64.336	0.001	0.001	0.000	0.000	0.000	0.000
149	A	479	PRO	0	0.001	0.001	63.555	0.000	0.000	0.000	0.000	0.000	0.000
150	A	488	CYS	0	-0.017	0.023	59.502	0.001	0.001	0.000	0.000	0.000	0.000
151	A	481	ASN	0	-0.034	-0.022	62.609	0.000	0.000	0.000	0.000	0.000	0.000
152	A	482	GLY	0	0.023	0.011	59.542	0.000	0.000	0.000	0.000	0.000	0.000
153	A	483	VAL	0	-0.033	-0.023	59.356	0.000	0.000	0.000	0.000	0.000	0.000
154	A	484	GLU	-1	-0.873	-0.944	57.754	-0.017	-0.017	0.000	0.000	0.000	0.000
155	A	485	GLY	0	0.020	0.001	60.940	0.000	0.000	0.000	0.000	0.000	0.000
156	A	486	PHE	0	-0.017	-0.012	62.727	-0.001	-0.001	0.000	0.000	0.000	0.000
157	A	487	ASN	0	-0.040	-0.020	61.634	0.000	0.000	0.000	0.000	0.000	0.000
158	A	489	TYR	0	0.032	0.030	56.368	0.000	0.000	0.000	0.000	0.000	0.000
159	A	490	PHE	0	0.068	0.021	50.462	0.001	0.001	0.000	0.000	0.000	0.000
160	A	491	PRO	0	-0.042	-0.012	49.797	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	492	LEU	0	-0.027	-0.010	46.206	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	493	GLN	0	0.037	0.020	48.265	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	494	SER	0	0.001	0.005	47.218	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	495	TYR	0	-0.041	-0.051	42.116	0.001	0.001	0.000	0.000	0.000	0.000
165	A	496	GLY	0	0.032	0.027	46.847	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	497	PHE	0	-0.013	-0.022	42.122	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	498	GLN	0	0.011	0.022	46.604	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	499	PRO	0	0.024	0.017	45.729	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	500	THR	0	0.035	0.013	46.408	-0.003	-0.003	0.000	0.000	0.000	0.000
170	A	501	ASN	0	-0.047	-0.009	46.823	0.002	0.002	0.000	0.000	0.000	0.000
171	A	502	GLY	0	0.060	0.030	47.144	-0.003	-0.003	0.000	0.000	0.000	0.000
172	A	503	VAL	0	0.063	0.008	41.533	0.001	0.001	0.000	0.000	0.000	0.000
173	A	504	GLY	0	-0.002	0.003	42.987	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	505	TYR	0	0.009	-0.016	44.472	0.002	0.002	0.000	0.000	0.000	0.000
175	A	506	GLN	0	-0.014	-0.007	42.147	0.002	0.002	0.000	0.000	0.000	0.000
176	A	507	PRO	0	-0.025	-0.002	39.811	0.001	0.001	0.000	0.000	0.000	0.000
177	A	508	TYR	0	0.038	-0.004	35.480	-0.004	-0.004	0.000	0.000	0.000	0.000
178	A	509	ARG	1	0.790	0.897	32.865	0.082	0.082	0.000	0.000	0.000	0.000
179	A	510	VAL	0	-0.010	-0.011	31.706	-0.006	-0.006	0.000	0.000	0.000	0.000
180	A	511	VAL	0	-0.006	-0.018	25.611	0.003	0.003	0.000	0.000	0.000	0.000
181	A	512	VAL	0	-0.010	0.003	27.866	-0.005	-0.005	0.000	0.000	0.000	0.000
182	A	513	LEU	0	-0.029	-0.007	21.020	0.004	0.004	0.000	0.000	0.000	0.000
183	A	514	SER	0	0.045	0.016	24.181	-0.001	-0.001	0.000	0.000	0.000	0.000
184	A	515	PHE	0	-0.028	-0.022	19.287	0.002	0.002	0.000	0.000	0.000	0.000
185	A	516	GLU	-1	-0.793	-0.879	20.143	0.039	0.039	0.000	0.000	0.000	0.000
186	A	517	LEU	0	-0.017	-0.024	15.316	0.017	0.017	0.000	0.000	0.000	0.000
187	A	518	LEU	0	-0.003	0.008	19.371	-0.011	-0.011	0.000	0.000	0.000	0.000
188	A	519	HIS	0	0.030	0.007	19.337	0.021	0.021	0.000	0.000	0.000	0.000
189	A	520	ALA	0	-0.007	0.015	19.625	0.012	0.012	0.000	0.000	0.000	0.000
190	A	521	PRO	0	0.027	0.010	14.237	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	522	ALA	0	0.010	-0.001	11.741	-0.021	-0.021	0.000	0.000	0.000	0.000
192	A	523	THR	0	-0.073	-0.045	13.085	0.023	0.023	0.000	0.000	0.000	0.000
193	A	524	VAL	0	0.001	0.012	13.409	-0.023	-0.023	0.000	0.000	0.000	0.000
194	A	526	GLY	0	0.039	0.042	9.968	-0.119	-0.119	0.000	0.000	0.000	0.000
195	A	527	PRO	0	-0.062	-0.035	6.870	0.381	0.381	0.000	0.000	0.000	0.000
196	A	528	LYS	1	0.952	0.967	2.623	-6.077	-3.733	3.497	-1.586	-4.256	0.015
197	A	529	LYS	1	0.905	0.962	2.822	-3.478	-1.671	0.475	-0.816	-1.466	-0.007
198	A	530	SER	0	0.024	0.005	2.135	-10.955	-8.602	5.901	-3.526	-4.727	-0.044
199	A	531	THR	0	-0.012	-0.001	4.056	1.353	1.623	0.002	-0.087	-0.185	0.000
200	A	532	ASN	0	0.001	-0.007	6.145	-0.015	-0.015	0.000	0.000	0.000	0.000
201	A	533	LEU	0	0.027	0.028	8.212	0.060	0.060	0.000	0.000	0.000	0.000
202	A	534	VAL	0	-0.009	-0.008	9.120	-0.125	-0.125	0.000	0.000	0.000	0.000
203	A	535	LYS	1	0.980	0.981	12.284	-0.135	-0.135	0.000	0.000	0.000	0.000
204	A	536	ASN	0	-0.006	-0.017	15.032	-0.042	-0.042	0.000	0.000	0.000	0.000
205	A	537	LYS	1	1.021	1.036	16.226	-0.020	-0.020	0.000	0.000	0.000	0.000
206	H	1	GLN	0	-0.019	-0.022	17.127	0.021	0.021	0.000	0.000	0.000	0.000
207	H	2	VAL	0	-0.046	-0.020	18.377	-0.003	-0.003	0.000	0.000	0.000	0.000
208	H	3	GLN	0	0.005	0.006	21.098	0.016	0.016	0.000	0.000	0.000	0.000
209	H	4	LEU	0	-0.009	-0.004	24.087	-0.016	-0.016	0.000	0.000	0.000	0.000
210	H	5	GLN	0	0.027	0.025	27.101	0.011	0.011	0.000	0.000	0.000	0.000
211	H	6	GLN	0	-0.017	-0.038	30.348	-0.013	-0.013	0.000	0.000	0.000	0.000
212	H	7	TRP	0	0.026	0.018	31.257	0.006	0.006	0.000	0.000	0.000	0.000
213	H	8	GLY	0	0.036	0.001	36.756	-0.006	-0.006	0.000	0.000	0.000	0.000
214	H	9	ALA	0	-0.001	0.009	39.631	0.004	0.004	0.000	0.000	0.000	0.000
215	H	10	GLY	0	0.050	0.030	43.435	-0.001	-0.001	0.000	0.000	0.000	0.000
216	H	11	LEU	0	-0.036	-0.012	44.341	0.001	0.001	0.000	0.000	0.000	0.000
217	H	12	LEU	0	0.002	0.003	44.772	0.000	0.000	0.000	0.000	0.000	0.000
218	H	13	LYS	1	0.827	0.895	49.330	0.068	0.068	0.000	0.000	0.000	0.000
219	H	14	PRO	0	0.034	-0.001	51.220	-0.003	-0.003	0.000	0.000	0.000	0.000
220	H	15	SER	0	-0.064	-0.024	51.178	0.002	0.002	0.000	0.000	0.000	0.000
221	H	16	GLU	-1	-0.734	-0.836	48.417	-0.071	-0.071	0.000	0.000	0.000	0.000
222	H	17	THR	0	-0.009	-0.019	42.880	-0.002	-0.002	0.000	0.000	0.000	0.000
223	H	18	LEU	0	0.022	0.032	40.681	0.000	0.000	0.000	0.000	0.000	0.000
224	H	19	SER	0	-0.033	-0.037	39.305	-0.005	-0.005	0.000	0.000	0.000	0.000
225	H	20	LEU	0	-0.034	0.006	36.458	0.004	0.004	0.000	0.000	0.000	0.000
226	H	21	THR	0	-0.006	-0.009	32.400	-0.008	-0.008	0.000	0.000	0.000	0.000
227	H	95	CYS	0	-0.056	-0.005	29.422	0.002	0.002	0.000	0.000	0.000	0.000
228	H	23	ALA	0	-0.023	-0.003	27.453	-0.010	-0.010	0.000	0.000	0.000	0.000
229	H	24	VAL	0	0.015	0.015	21.544	0.008	0.008	0.000	0.000	0.000	0.000
230	H	25	TYR	0	-0.003	0.002	23.185	-0.004	-0.004	0.000	0.000	0.000	0.000
231	H	26	GLY	0	0.059	0.027	19.842	-0.002	-0.002	0.000	0.000	0.000	0.000
232	H	27	GLY	0	0.010	0.002	17.329	-0.030	-0.030	0.000	0.000	0.000	0.000
233	H	28	SER	0	-0.029	-0.015	16.365	0.028	0.028	0.000	0.000	0.000	0.000
234	H	29	PHE	0	0.058	0.018	18.309	-0.017	-0.017	0.000	0.000	0.000	0.000
235	H	30	SER	0	-0.026	-0.005	15.470	0.005	0.005	0.000	0.000	0.000	0.000
236	H	31	GLY	0	0.023	0.011	15.149	-0.001	-0.001	0.000	0.000	0.000	0.000
237	H	32	TYR	0	-0.030	-0.006	14.143	0.016	0.016	0.000	0.000	0.000	0.000
238	H	33	TYR	0	0.023	0.007	19.155	0.017	0.017	0.000	0.000	0.000	0.000
239	H	34	TRP	0	0.000	-0.010	20.196	0.018	0.018	0.000	0.000	0.000	0.000
240	H	35	SER	0	-0.027	-0.033	25.539	0.010	0.010	0.000	0.000	0.000	0.000
241	H	36	TRP	0	0.017	0.020	29.308	0.004	0.004	0.000	0.000	0.000	0.000
242	H	37	ILE	0	-0.002	0.001	31.044	0.002	0.002	0.000	0.000	0.000	0.000
243	H	38	ARG	1	0.763	0.862	35.018	0.095	0.095	0.000	0.000	0.000	0.000
244	H	39	GLN	0	0.055	0.042	38.568	-0.004	-0.004	0.000	0.000	0.000	0.000
245	H	40	PRO	0	0.042	0.024	41.112	0.002	0.002	0.000	0.000	0.000	0.000
246	H	41	PRO	0	0.022	0.014	44.886	0.000	0.000	0.000	0.000	0.000	0.000
247	H	42	GLY	0	0.020	0.022	46.080	0.003	0.003	0.000	0.000	0.000	0.000
248	H	43	LYS	1	0.824	0.902	44.999	0.066	0.066	0.000	0.000	0.000	0.000
249	H	44	GLY	0	0.117	0.057	41.654	-0.002	-0.002	0.000	0.000	0.000	0.000
250	H	45	LEU	0	-0.051	-0.016	35.220	-0.001	-0.001	0.000	0.000	0.000	0.000
251	H	46	GLU	-1	-0.782	-0.882	38.729	-0.095	-0.095	0.000	0.000	0.000	0.000
252	H	47	TRP	0	0.032	0.008	30.969	0.000	0.000	0.000	0.000	0.000	0.000
253	H	48	ILE	0	-0.009	-0.006	35.131	0.005	0.005	0.000	0.000	0.000	0.000
254	H	49	GLY	0	0.031	-0.003	33.230	0.004	0.004	0.000	0.000	0.000	0.000
255	H	50	GLU	-1	-0.884	-0.912	27.868	-0.198	-0.198	0.000	0.000	0.000	0.000
256	H	51	ILE	0	0.006	0.008	24.057	0.007	0.007	0.000	0.000	0.000	0.000
257	H	52	ASN	0	0.057	0.020	23.131	-0.003	-0.003	0.000	0.000	0.000	0.000
258	H	53	HIS	0	0.076	0.059	17.812	0.009	0.009	0.000	0.000	0.000	0.000
259	H	54	SER	0	-0.091	-0.059	18.793	0.015	0.015	0.000	0.000	0.000	0.000
260	H	55	GLY	0	0.009	0.008	20.279	0.009	0.009	0.000	0.000	0.000	0.000
261	H	56	SER	0	0.001	0.013	23.869	0.027	0.027	0.000	0.000	0.000	0.000
262	H	57	THR	0	-0.056	-0.028	26.742	-0.001	-0.001	0.000	0.000	0.000	0.000
263	H	58	ASN	0	-0.050	-0.033	29.645	0.012	0.012	0.000	0.000	0.000	0.000
264	H	59	TYR	0	0.020	0.000	31.677	-0.001	-0.001	0.000	0.000	0.000	0.000
265	H	60	ASN	0	0.038	0.046	34.878	0.007	0.007	0.000	0.000	0.000	0.000
266	H	61	PRO	0	-0.016	-0.030	37.485	0.002	0.002	0.000	0.000	0.000	0.000
267	H	62	SER	0	-0.022	-0.016	40.225	0.003	0.003	0.000	0.000	0.000	0.000
268	H	63	LEU	0	0.009	0.002	39.631	0.003	0.003	0.000	0.000	0.000	0.000
269	H	64	LYS	1	0.921	0.959	37.397	0.117	0.117	0.000	0.000	0.000	0.000
270	H	65	SER	0	-0.008	0.008	39.863	-0.002	-0.002	0.000	0.000	0.000	0.000
271	H	66	ARG	1	0.824	0.899	42.343	0.088	0.088	0.000	0.000	0.000	0.000
272	H	67	VAL	0	0.013	0.024	37.329	0.000	0.000	0.000	0.000	0.000	0.000
273	H	68	THR	0	-0.003	-0.011	35.449	-0.002	-0.002	0.000	0.000	0.000	0.000
274	H	69	ILE	0	-0.007	0.004	30.279	0.002	0.002	0.000	0.000	0.000	0.000
275	H	70	SER	0	0.016	0.004	30.345	0.001	0.001	0.000	0.000	0.000	0.000
276	H	71	VAL	0	-0.007	-0.014	24.410	0.006	0.006	0.000	0.000	0.000	0.000
277	H	72	ASP	-1	-0.767	-0.840	27.382	-0.197	-0.197	0.000	0.000	0.000	0.000
278	H	73	THR	0	0.021	-0.012	22.235	0.006	0.006	0.000	0.000	0.000	0.000
279	H	74	SER	0	-0.074	-0.043	23.117	-0.015	-0.015	0.000	0.000	0.000	0.000
280	H	75	LYS	1	0.849	0.902	25.444	0.179	0.179	0.000	0.000	0.000	0.000
281	H	76	ASN	0	-0.002	0.005	20.087	-0.012	-0.012	0.000	0.000	0.000	0.000
282	H	77	GLN	0	0.047	0.026	23.999	0.017	0.017	0.000	0.000	0.000	0.000
283	H	78	PHE	0	0.001	-0.007	27.165	-0.011	-0.011	0.000	0.000	0.000	0.000
284	H	79	SER	0	0.008	0.011	29.087	0.014	0.014	0.000	0.000	0.000	0.000
285	H	80	LEU	0	0.014	0.015	32.711	-0.006	-0.006	0.000	0.000	0.000	0.000
286	H	81	LYS	1	0.882	0.938	34.354	0.153	0.153	0.000	0.000	0.000	0.000
287	H	82	LEU	0	-0.011	-0.011	38.641	-0.003	-0.003	0.000	0.000	0.000	0.000
288	H	83	SER	0	-0.006	-0.015	41.358	0.005	0.005	0.000	0.000	0.000	0.000
289	H	84	SER	0	0.020	0.001	44.524	0.002	0.002	0.000	0.000	0.000	0.000
290	H	85	VAL	0	-0.049	-0.004	45.354	0.001	0.001	0.000	0.000	0.000	0.000
291	H	86	THR	0	0.019	-0.016	47.920	0.005	0.005	0.000	0.000	0.000	0.000
292	H	87	ALA	0	0.072	0.028	49.493	-0.002	-0.002	0.000	0.000	0.000	0.000
293	H	88	ALA	0	0.000	0.000	49.276	-0.001	-0.001	0.000	0.000	0.000	0.000
294	H	89	ASP	-1	-0.767	-0.823	45.186	-0.086	-0.086	0.000	0.000	0.000	0.000
295	H	90	THR	0	0.002	0.008	45.021	-0.004	-0.004	0.000	0.000	0.000	0.000
296	H	91	ALA	0	-0.001	-0.004	42.467	0.002	0.002	0.000	0.000	0.000	0.000
297	H	92	VAL	0	-0.002	0.012	38.576	-0.001	-0.001	0.000	0.000	0.000	0.000
298	H	93	TYR	0	-0.014	-0.025	37.414	-0.004	-0.004	0.000	0.000	0.000	0.000
299	H	94	TYR	0	0.000	-0.023	33.121	0.000	0.000	0.000	0.000	0.000	0.000
300	H	96	ALA	0	0.015	-0.005	28.066	0.005	0.005	0.000	0.000	0.000	0.000
301	H	97	ARG	1	0.805	0.896	17.491	0.331	0.331	0.000	0.000	0.000	0.000
302	H	98	ARG	1	0.790	0.871	23.344	0.220	0.220	0.000	0.000	0.000	0.000
303	H	99	TRP	0	0.014	0.020	13.943	-0.020	-0.020	0.000	0.000	0.000	0.000
304	H	100	TRP	0	0.015	-0.009	19.001	-0.035	-0.035	0.000	0.000	0.000	0.000
305	H	101	LEU	0	-0.022	0.005	21.138	0.021	0.021	0.000	0.000	0.000	0.000
306	H	102	ARG	1	0.836	0.909	24.385	0.168	0.168	0.000	0.000	0.000	0.000
307	H	103	GLY	0	0.001	0.019	23.826	0.015	0.015	0.000	0.000	0.000	0.000
308	H	104	ALA	0	0.006	-0.008	24.887	0.004	0.004	0.000	0.000	0.000	0.000
309	H	105	PHE	0	-0.020	-0.024	24.727	-0.019	-0.019	0.000	0.000	0.000	0.000
310	H	106	ASP	-1	-0.781	-0.879	20.837	-0.259	-0.259	0.000	0.000	0.000	0.000
311	H	107	ILE	0	-0.023	-0.003	20.757	0.003	0.003	0.000	0.000	0.000	0.000
312	H	108	TRP	0	0.000	-0.016	25.337	0.000	0.000	0.000	0.000	0.000	0.000
313	H	109	GLY	0	0.045	0.021	28.783	-0.002	-0.002	0.000	0.000	0.000	0.000
314	H	110	GLN	0	-0.046	-0.033	30.575	-0.001	-0.001	0.000	0.000	0.000	0.000
315	H	111	GLY	0	0.028	0.027	33.650	0.008	0.008	0.000	0.000	0.000	0.000
316	H	112	THR	0	-0.074	-0.051	36.039	-0.001	-0.001	0.000	0.000	0.000	0.000
317	H	113	THR	0	0.009	0.009	38.923	-0.002	-0.002	0.000	0.000	0.000	0.000
318	H	114	VAL	0	0.003	0.012	41.596	0.000	0.000	0.000	0.000	0.000	0.000
319	H	115	THR	0	-0.058	-0.043	44.298	0.003	0.003	0.000	0.000	0.000	0.000
320	H	116	VAL	0	-0.008	0.011	47.611	0.000	0.000	0.000	0.000	0.000	0.000
321	H	117	SER	0	0.011	-0.012	50.218	0.003	0.003	0.000	0.000	0.000	0.000
322	H	118	SER	0	0.037	0.009	53.948	-0.001	-0.001	0.000	0.000	0.000	0.000
323	H	119	ALA	0	-0.060	-0.007	56.904	0.002	0.002	0.000	0.000	0.000	0.000
324	H	120	SER	0	0.011	-0.001	58.126	-0.001	-0.001	0.000	0.000	0.000	0.000
325	H	121	THR	0	-0.025	-0.014	60.642	0.000	0.000	0.000	0.000	0.000	0.000
326	H	122	LYS	1	0.836	0.926	62.996	0.040	0.040	0.000	0.000	0.000	0.000
327	H	123	GLY	0	0.062	0.027	65.219	0.000	0.000	0.000	0.000	0.000	0.000
328	H	124	PRO	0	-0.044	-0.019	66.930	0.000	0.000	0.000	0.000	0.000	0.000
329	H	125	SER	0	-0.031	-0.011	68.591	0.001	0.001	0.000	0.000	0.000	0.000
330	H	126	VAL	0	-0.020	-0.020	70.572	-0.001	-0.001	0.000	0.000	0.000	0.000
331	H	127	PHE	0	-0.010	-0.008	71.305	0.001	0.001	0.000	0.000	0.000	0.000
332	H	128	PRO	0	0.009	0.021	73.874	0.000	0.000	0.000	0.000	0.000	0.000
333	H	129	LEU	0	-0.024	-0.002	71.196	0.000	0.000	0.000	0.000	0.000	0.000
334	H	130	ALA	0	0.013	0.008	75.875	0.000	0.000	0.000	0.000	0.000	0.000
335	H	131	PRO	0	-0.006	-0.021	77.623	0.000	0.000	0.000	0.000	0.000	0.000
336	H	132	SER	0	-0.041	-0.004	75.661	0.000	0.000	0.000	0.000	0.000	0.000
337	H	133	GLY	0	0.028	0.011	77.339	0.000	0.000	0.000	0.000	0.000	0.000
338	H	134	GLY	0	0.018	0.017	78.101	0.000	0.000	0.000	0.000	0.000	0.000
339	H	135	THR	0	0.006	0.001	76.082	0.001	0.001	0.000	0.000	0.000	0.000
340	H	136	ALA	0	0.007	0.007	77.779	-0.001	-0.001	0.000	0.000	0.000	0.000
341	H	137	ALA	0	0.037	0.023	73.453	0.000	0.000	0.000	0.000	0.000	0.000
342	H	138	LEU	0	-0.001	0.005	75.083	0.000	0.000	0.000	0.000	0.000	0.000
343	H	139	GLY	0	0.045	0.015	72.760	-0.001	-0.001	0.000	0.000	0.000	0.000
344	H	196	CYS	0	-0.043	-0.004	71.623	0.000	0.000	0.000	0.000	0.000	0.000
345	H	141	LEU	0	0.019	0.035	67.870	-0.001	-0.001	0.000	0.000	0.000	0.000
346	H	142	VAL	0	-0.005	-0.023	66.973	0.001	0.001	0.000	0.000	0.000	0.000
347	H	143	LYS	1	0.906	0.960	66.383	0.035	0.035	0.000	0.000	0.000	0.000
348	H	144	ASP	-1	-0.779	-0.888	65.225	-0.040	-0.040	0.000	0.000	0.000	0.000
349	H	145	TYR	0	-0.057	-0.042	61.226	0.001	0.001	0.000	0.000	0.000	0.000
350	H	146	PHE	0	0.036	0.024	55.724	-0.002	-0.002	0.000	0.000	0.000	0.000
351	H	147	PRO	0	0.011	0.022	57.387	0.001	0.001	0.000	0.000	0.000	0.000
352	H	148	GLU	-1	-0.774	-0.875	56.836	-0.041	-0.041	0.000	0.000	0.000	0.000
353	H	149	PRO	0	-0.044	-0.020	58.305	-0.001	-0.001	0.000	0.000	0.000	0.000
354	H	150	VAL	0	0.016	-0.005	60.159	0.001	0.001	0.000	0.000	0.000	0.000
355	H	151	THR	0	-0.067	-0.032	63.485	0.000	0.000	0.000	0.000	0.000	0.000
356	H	152	VAL	0	0.032	0.006	66.200	0.001	0.001	0.000	0.000	0.000	0.000
357	H	153	SER	0	-0.013	0.003	68.727	0.000	0.000	0.000	0.000	0.000	0.000
358	H	154	TRP	0	0.061	0.008	70.913	0.000	0.000	0.000	0.000	0.000	0.000
359	H	155	ASN	0	-0.006	-0.022	74.470	0.000	0.000	0.000	0.000	0.000	0.000
360	H	156	SER	0	-0.005	-0.020	76.607	0.000	0.000	0.000	0.000	0.000	0.000
361	H	157	GLY	0	0.001	0.013	73.899	0.000	0.000	0.000	0.000	0.000	0.000
362	H	158	ALA	0	-0.029	-0.010	74.898	0.000	0.000	0.000	0.000	0.000	0.000
363	H	159	LEU	0	-0.045	-0.020	74.986	0.001	0.001	0.000	0.000	0.000	0.000
364	H	160	THR	0	0.006	0.003	71.071	-0.001	-0.001	0.000	0.000	0.000	0.000
365	H	161	SER	0	-0.002	0.000	70.728	-0.001	-0.001	0.000	0.000	0.000	0.000
366	H	162	GLY	0	0.059	0.025	71.372	0.000	0.000	0.000	0.000	0.000	0.000
367	H	163	VAL	0	-0.044	-0.018	68.293	0.000	0.000	0.000	0.000	0.000	0.000
368	H	164	HIS	0	-0.045	-0.030	62.417	0.000	0.000	0.000	0.000	0.000	0.000
369	H	165	THR	0	-0.013	0.001	63.333	0.000	0.000	0.000	0.000	0.000	0.000
370	H	166	PHE	0	0.035	0.005	62.137	-0.001	-0.001	0.000	0.000	0.000	0.000
371	H	167	PRO	0	-0.002	-0.014	57.032	0.000	0.000	0.000	0.000	0.000	0.000
372	H	168	ALA	0	0.033	0.020	58.783	0.001	0.001	0.000	0.000	0.000	0.000
373	H	169	VAL	0	-0.036	-0.026	57.765	-0.002	-0.002	0.000	0.000	0.000	0.000
374	H	170	LEU	0	-0.037	-0.012	53.556	0.001	0.001	0.000	0.000	0.000	0.000
375	H	171	GLN	0	-0.001	-0.002	56.992	0.000	0.000	0.000	0.000	0.000	0.000
376	H	172	SER	0	0.014	-0.002	57.130	-0.002	-0.002	0.000	0.000	0.000	0.000
377	H	173	SER	0	-0.059	-0.030	57.897	-0.002	-0.002	0.000	0.000	0.000	0.000
378	H	174	GLY	0	-0.005	0.008	56.847	0.000	0.000	0.000	0.000	0.000	0.000
379	H	175	LEU	0	-0.040	-0.025	57.802	0.000	0.000	0.000	0.000	0.000	0.000
380	H	176	TYR	0	-0.009	-0.010	54.607	-0.001	-0.001	0.000	0.000	0.000	0.000
381	H	177	SER	0	-0.007	-0.011	60.759	0.002	0.002	0.000	0.000	0.000	0.000
382	H	178	LEU	0	-0.012	0.003	62.152	-0.001	-0.001	0.000	0.000	0.000	0.000
383	H	179	SER	0	0.035	0.001	64.309	0.002	0.002	0.000	0.000	0.000	0.000
384	H	180	SER	0	-0.023	-0.012	65.861	0.000	0.000	0.000	0.000	0.000	0.000
385	H	181	VAL	0	-0.004	-0.010	68.432	0.001	0.001	0.000	0.000	0.000	0.000
386	H	182	VAL	0	0.011	0.011	70.469	0.000	0.000	0.000	0.000	0.000	0.000
387	H	183	THR	0	-0.013	-0.005	72.034	0.000	0.000	0.000	0.000	0.000	0.000
388	H	184	VAL	0	-0.009	-0.008	74.520	0.000	0.000	0.000	0.000	0.000	0.000
389	H	185	PRO	0	0.011	0.000	77.841	0.000	0.000	0.000	0.000	0.000	0.000
390	H	186	SER	0	-0.021	-0.027	80.789	0.000	0.000	0.000	0.000	0.000	0.000
391	H	187	SER	0	0.026	0.015	82.525	0.001	0.001	0.000	0.000	0.000	0.000
392	H	188	SER	0	-0.006	-0.004	83.572	-0.001	-0.001	0.000	0.000	0.000	0.000
393	H	189	LEU	0	-0.020	-0.026	85.729	0.000	0.000	0.000	0.000	0.000	0.000
394	H	190	GLY	0	0.013	0.023	86.433	0.000	0.000	0.000	0.000	0.000	0.000
395	H	191	THR	0	-0.054	-0.027	80.755	0.000	0.000	0.000	0.000	0.000	0.000
396	H	192	GLN	0	0.047	0.011	78.617	0.000	0.000	0.000	0.000	0.000	0.000
397	H	193	THR	0	0.010	0.012	81.120	0.000	0.000	0.000	0.000	0.000	0.000
398	H	194	TYR	0	0.024	0.027	80.780	0.000	0.000	0.000	0.000	0.000	0.000
399	H	195	ILE	0	-0.020	-0.001	78.563	0.000	0.000	0.000	0.000	0.000	0.000
400	H	197	ASN	0	-0.019	-0.029	73.550	0.001	0.001	0.000	0.000	0.000	0.000
401	H	198	VAL	0	0.022	0.012	68.989	-0.001	-0.001	0.000	0.000	0.000	0.000
402	H	199	ASN	0	-0.018	-0.022	68.653	0.000	0.000	0.000	0.000	0.000	0.000
403	H	200	HIS	0	0.044	0.026	62.515	0.000	0.000	0.000	0.000	0.000	0.000
404	H	201	LYS	1	1.041	1.008	63.181	0.035	0.035	0.000	0.000	0.000	0.000
405	H	202	PRO	0	-0.030	-0.002	60.975	0.000	0.000	0.000	0.000	0.000	0.000
406	H	203	SER	0	-0.013	-0.016	63.133	0.000	0.000	0.000	0.000	0.000	0.000
407	H	204	ASN	0	-0.066	-0.033	66.541	0.001	0.001	0.000	0.000	0.000	0.000
408	H	205	THR	0	0.030	0.030	68.806	0.001	0.001	0.000	0.000	0.000	0.000
409	H	206	LYS	1	0.840	0.897	70.049	0.026	0.026	0.000	0.000	0.000	0.000
410	H	207	VAL	0	-0.002	0.003	72.757	0.000	0.000	0.000	0.000	0.000	0.000
411	H	208	ASP	-1	-0.795	-0.866	74.445	-0.027	-0.027	0.000	0.000	0.000	0.000
412	H	209	LYS	1	0.881	0.928	76.826	0.026	0.026	0.000	0.000	0.000	0.000
413	H	210	ARG	1	0.817	0.873	78.415	0.021	0.021	0.000	0.000	0.000	0.000
414	H	211	VAL	0	-0.052	-0.024	76.529	-0.001	-0.001	0.000	0.000	0.000	0.000
415	H	212	GLU	-1	-0.783	-0.846	79.905	-0.020	-0.020	0.000	0.000	0.000	0.000
416	H	213	PRO	0	0.005	-0.010	81.873	-0.001	-0.001	0.000	0.000	0.000	0.000
417	H	214	LYS	1	0.940	0.980	81.152	0.024	0.024	0.000	0.000	0.000	0.000
418	L	1	ASN	0	-0.005	-0.022	41.834	-0.001	-0.001	0.000	0.000	0.000	0.000
419	L	2	PHE	0	-0.012	0.019	36.546	0.004	0.004	0.000	0.000	0.000	0.000
420	L	3	MET	0	-0.008	-0.009	40.462	-0.003	-0.003	0.000	0.000	0.000	0.000
421	L	4	LEU	0	0.021	0.017	36.400	0.003	0.003	0.000	0.000	0.000	0.000
422	L	5	THR	0	-0.045	-0.030	41.154	0.001	0.001	0.000	0.000	0.000	0.000
423	L	6	GLN	0	0.024	-0.014	40.266	-0.004	-0.004	0.000	0.000	0.000	0.000
424	L	7	PRO	0	-0.016	0.015	44.484	0.001	0.001	0.000	0.000	0.000	0.000
425	L	8	HIS	0	0.071	0.040	46.367	-0.003	-0.003	0.000	0.000	0.000	0.000
426	L	9	SER	0	-0.020	-0.025	47.635	-0.002	-0.002	0.000	0.000	0.000	0.000
427	L	10	VAL	0	0.031	0.013	45.977	0.001	0.001	0.000	0.000	0.000	0.000
428	L	11	SER	0	-0.038	-0.030	48.409	0.000	0.000	0.000	0.000	0.000	0.000
429	L	12	ALA	0	0.036	0.020	48.591	0.002	0.002	0.000	0.000	0.000	0.000
430	L	13	SER	0	0.023	0.037	49.626	-0.001	-0.001	0.000	0.000	0.000	0.000
431	L	14	PRO	0	0.033	0.002	47.816	0.000	0.000	0.000	0.000	0.000	0.000
432	L	15	GLY	0	-0.012	-0.005	47.039	0.002	0.002	0.000	0.000	0.000	0.000
433	L	16	LYS	1	0.845	0.932	47.814	0.031	0.031	0.000	0.000	0.000	0.000
434	L	17	THR	0	0.014	-0.008	43.064	-0.002	-0.002	0.000	0.000	0.000	0.000
435	L	18	VAL	0	-0.026	-0.001	43.751	0.002	0.002	0.000	0.000	0.000	0.000
436	L	19	THR	0	0.058	0.019	41.863	-0.001	-0.001	0.000	0.000	0.000	0.000
437	L	20	ILE	0	-0.021	0.008	40.792	0.002	0.002	0.000	0.000	0.000	0.000
438	L	21	PRO	0	0.018	-0.004	41.159	-0.003	-0.003	0.000	0.000	0.000	0.000
439	L	91	CYS	0	-0.014	0.007	35.621	-0.007	-0.007	0.000	0.000	0.000	0.000
440	L	23	THR	0	0.033	0.036	40.557	-0.001	-0.001	0.000	0.000	0.000	0.000
441	L	24	GLY	0	0.019	0.026	41.013	-0.003	-0.003	0.000	0.000	0.000	0.000
442	L	25	SER	0	-0.041	-0.028	41.820	0.005	0.005	0.000	0.000	0.000	0.000
443	L	26	SER	0	0.026	-0.013	42.948	-0.003	-0.003	0.000	0.000	0.000	0.000
444	L	27	GLY	0	0.035	0.024	40.504	-0.003	-0.003	0.000	0.000	0.000	0.000
445	L	28	ASN	0	-0.019	-0.010	38.681	0.001	0.001	0.000	0.000	0.000	0.000
446	L	29	ILE	0	0.037	0.012	36.557	-0.005	-0.005	0.000	0.000	0.000	0.000
447	L	30	ALA	0	0.016	0.015	35.113	-0.004	-0.004	0.000	0.000	0.000	0.000
448	L	31	SER	0	-0.015	0.002	33.614	0.000	0.000	0.000	0.000	0.000	0.000
449	L	32	ASN	0	0.021	0.007	30.307	-0.012	-0.012	0.000	0.000	0.000	0.000
450	L	33	TYR	0	0.005	0.007	24.379	0.005	0.005	0.000	0.000	0.000	0.000
451	L	34	VAL	0	-0.012	0.016	29.830	-0.001	-0.001	0.000	0.000	0.000	0.000
452	L	35	GLN	0	-0.037	-0.016	28.221	0.007	0.007	0.000	0.000	0.000	0.000
453	L	36	TRP	0	0.013	-0.011	31.122	0.006	0.006	0.000	0.000	0.000	0.000
454	L	37	TYR	0	-0.033	-0.024	29.186	-0.009	-0.009	0.000	0.000	0.000	0.000
455	L	38	GLN	0	0.052	0.037	33.666	0.005	0.005	0.000	0.000	0.000	0.000
456	L	39	GLN	0	0.004	-0.011	35.031	-0.006	-0.006	0.000	0.000	0.000	0.000
457	L	40	ARG	1	0.891	0.934	36.657	0.077	0.077	0.000	0.000	0.000	0.000
458	L	41	PRO	0	0.012	-0.002	39.918	-0.003	-0.003	0.000	0.000	0.000	0.000
459	L	42	GLY	0	0.011	0.013	41.582	0.001	0.001	0.000	0.000	0.000	0.000
460	L	43	SER	0	-0.049	-0.022	36.225	-0.003	-0.003	0.000	0.000	0.000	0.000
461	L	44	ALA	0	0.060	0.028	33.163	0.002	0.002	0.000	0.000	0.000	0.000
462	L	45	PRO	0	-0.032	-0.013	32.973	0.003	0.003	0.000	0.000	0.000	0.000
463	L	46	THR	0	-0.025	0.001	30.514	-0.007	-0.007	0.000	0.000	0.000	0.000
464	L	47	THR	0	-0.031	-0.011	26.430	0.006	0.006	0.000	0.000	0.000	0.000
465	L	48	VAL	0	0.003	-0.017	29.709	0.001	0.001	0.000	0.000	0.000	0.000
466	L	49	ILE	0	-0.021	-0.014	29.661	0.006	0.006	0.000	0.000	0.000	0.000
467	L	50	TYR	0	-0.060	-0.041	22.310	-0.006	-0.006	0.000	0.000	0.000	0.000
468	L	51	GLU	-1	-0.735	-0.835	23.198	-0.135	-0.135	0.000	0.000	0.000	0.000
469	L	52	ASP	-1	-0.742	-0.863	27.409	-0.085	-0.085	0.000	0.000	0.000	0.000
470	L	53	ASN	0	-0.007	-0.008	29.705	0.007	0.007	0.000	0.000	0.000	0.000
471	L	54	GLN	0	-0.027	0.001	25.348	0.007	0.007	0.000	0.000	0.000	0.000
472	L	55	ARG	1	0.869	0.928	27.855	0.051	0.051	0.000	0.000	0.000	0.000
473	L	56	PRO	0	-0.039	-0.011	25.193	-0.002	-0.002	0.000	0.000	0.000	0.000
474	L	57	SER	0	0.016	0.004	23.272	0.014	0.014	0.000	0.000	0.000	0.000
475	L	58	GLY	0	0.014	0.008	25.316	-0.007	-0.007	0.000	0.000	0.000	0.000
476	L	59	VAL	0	-0.019	0.000	28.265	0.005	0.005	0.000	0.000	0.000	0.000
477	L	60	PRO	0	0.009	-0.004	30.761	0.003	0.003	0.000	0.000	0.000	0.000
478	L	61	ASP	-1	-0.824	-0.928	31.264	-0.054	-0.054	0.000	0.000	0.000	0.000
479	L	62	ARG	1	0.721	0.837	33.845	0.051	0.051	0.000	0.000	0.000	0.000
480	L	63	PHE	0	-0.010	0.015	34.056	0.001	0.001	0.000	0.000	0.000	0.000
481	L	64	SER	0	0.029	0.009	33.894	-0.001	-0.001	0.000	0.000	0.000	0.000
482	L	65	GLY	0	0.008	0.015	33.545	0.000	0.000	0.000	0.000	0.000	0.000
483	L	66	SER	0	0.005	0.009	34.695	0.005	0.005	0.000	0.000	0.000	0.000
484	L	67	ILE	0	-0.014	-0.021	34.159	-0.004	-0.004	0.000	0.000	0.000	0.000
485	L	68	ASP	-1	-0.752	-0.820	37.168	-0.042	-0.042	0.000	0.000	0.000	0.000
486	L	69	SER	0	-0.026	-0.021	38.444	-0.002	-0.002	0.000	0.000	0.000	0.000
487	L	70	SER	0	-0.088	-0.066	40.226	0.001	0.001	0.000	0.000	0.000	0.000
488	L	71	SER	0	-0.009	-0.034	44.081	0.000	0.000	0.000	0.000	0.000	0.000
489	L	72	ASN	0	-0.058	-0.022	41.172	-0.003	-0.003	0.000	0.000	0.000	0.000
490	L	73	SER	0	0.010	-0.020	41.259	-0.003	-0.003	0.000	0.000	0.000	0.000
491	L	74	ALA	0	0.042	0.030	36.771	0.000	0.000	0.000	0.000	0.000	0.000
492	L	75	SER	0	-0.074	-0.043	38.113	0.002	0.002	0.000	0.000	0.000	0.000
493	L	76	LEU	0	0.017	0.031	35.237	-0.001	-0.001	0.000	0.000	0.000	0.000
494	L	77	THR	0	-0.003	-0.014	38.144	0.002	0.002	0.000	0.000	0.000	0.000
495	L	78	ILE	0	-0.008	0.002	38.237	-0.002	-0.002	0.000	0.000	0.000	0.000
496	L	79	SER	0	0.010	-0.013	39.403	0.004	0.004	0.000	0.000	0.000	0.000
497	L	80	GLY	0	0.037	0.015	41.233	-0.001	-0.001	0.000	0.000	0.000	0.000
498	L	81	LEU	0	-0.041	-0.019	43.042	-0.001	-0.001	0.000	0.000	0.000	0.000
499	L	82	LYS	1	0.873	0.921	39.674	0.048	0.048	0.000	0.000	0.000	0.000
500	L	83	THR	0	0.036	0.001	43.994	-0.002	-0.002	0.000	0.000	0.000	0.000
501	L	84	GLU	-1	-0.785	-0.859	39.353	-0.051	-0.051	0.000	0.000	0.000	0.000
502	L	85	ASP	-1	-0.741	-0.837	40.233	-0.056	-0.056	0.000	0.000	0.000	0.000
503	L	86	GLU	-1	-0.814	-0.890	41.753	-0.051	-0.051	0.000	0.000	0.000	0.000
504	L	87	ALA	0	-0.065	-0.029	39.949	-0.002	-0.002	0.000	0.000	0.000	0.000
505	L	88	ASP	-1	-0.816	-0.893	40.820	-0.065	-0.065	0.000	0.000	0.000	0.000
506	L	89	TYR	0	-0.050	-0.037	37.532	-0.004	-0.004	0.000	0.000	0.000	0.000
507	L	90	TYR	0	-0.048	-0.014	36.694	0.002	0.002	0.000	0.000	0.000	0.000
508	L	92	GLN	0	0.005	0.001	29.740	-0.005	-0.005	0.000	0.000	0.000	0.000
509	L	93	SER	0	0.009	-0.001	32.003	0.002	0.002	0.000	0.000	0.000	0.000
510	L	94	TYR	0	-0.030	-0.031	29.022	-0.004	-0.004	0.000	0.000	0.000	0.000
511	L	95	ASP	-1	-0.835	-0.926	32.080	-0.096	-0.096	0.000	0.000	0.000	0.000
512	L	96	ASN	0	-0.055	-0.026	34.351	-0.003	-0.003	0.000	0.000	0.000	0.000
513	L	97	ASN	0	0.019	0.022	29.174	-0.006	-0.006	0.000	0.000	0.000	0.000
514	L	98	ILE	0	-0.004	0.003	32.105	-0.005	-0.005	0.000	0.000	0.000	0.000
515	L	99	GLN	0	0.019	0.013	28.919	0.002	0.002	0.000	0.000	0.000	0.000
516	L	100	VAL	0	-0.032	-0.011	33.001	0.005	0.005	0.000	0.000	0.000	0.000
517	L	101	PHE	0	0.031	-0.007	32.844	-0.004	-0.004	0.000	0.000	0.000	0.000
518	L	102	GLY	0	0.026	0.017	37.234	0.003	0.003	0.000	0.000	0.000	0.000
519	L	103	GLY	0	-0.048	-0.032	40.188	-0.002	-0.002	0.000	0.000	0.000	0.000
520	L	104	GLY	0	0.025	-0.004	41.513	-0.001	-0.001	0.000	0.000	0.000	0.000
521	L	105	THR	0	-0.057	-0.031	42.361	0.003	0.003	0.000	0.000	0.000	0.000
522	L	106	LYS	1	0.826	0.912	43.153	0.054	0.054	0.000	0.000	0.000	0.000
523	L	107	LEU	0	-0.014	0.000	42.479	0.003	0.003	0.000	0.000	0.000	0.000
524	L	108	THR	0	-0.066	-0.037	45.444	0.000	0.000	0.000	0.000	0.000	0.000
525	L	109	VAL	0	0.014	0.010	45.355	0.002	0.002	0.000	0.000	0.000	0.000
526	L	110	LEU	0	-0.043	-0.026	48.460	0.001	0.001	0.000	0.000	0.000	0.000
527	L	111	GLY	0	0.017	-0.004	52.193	0.002	0.002	0.000	0.000	0.000	0.000
528	L	112	GLN	0	-0.020	-0.010	53.319	0.002	0.002	0.000	0.000	0.000	0.000
529	L	113	PRO	0	0.032	0.003	56.692	-0.001	-0.001	0.000	0.000	0.000	0.000
530	L	114	LYS	1	0.872	0.938	54.669	0.035	0.035	0.000	0.000	0.000	0.000
531	L	115	ALA	0	-0.010	0.007	59.051	0.001	0.001	0.000	0.000	0.000	0.000
532	L	116	ALA	0	0.043	0.016	60.617	-0.001	-0.001	0.000	0.000	0.000	0.000
533	L	117	PRO	0	-0.019	0.002	61.532	0.000	0.000	0.000	0.000	0.000	0.000
534	L	118	SER	0	0.002	0.003	63.507	0.001	0.001	0.000	0.000	0.000	0.000
535	L	119	VAL	0	0.012	-0.011	65.271	-0.001	-0.001	0.000	0.000	0.000	0.000
536	L	120	THR	0	-0.008	0.002	67.624	0.002	0.002	0.000	0.000	0.000	0.000
537	L	121	LEU	0	-0.027	-0.017	68.818	-0.001	-0.001	0.000	0.000	0.000	0.000
538	L	122	PHE	0	0.007	0.013	71.036	0.001	0.001	0.000	0.000	0.000	0.000
539	L	123	PRO	0	-0.010	-0.016	72.874	-0.001	-0.001	0.000	0.000	0.000	0.000
540	L	124	PRO	0	0.013	0.040	73.876	0.000	0.000	0.000	0.000	0.000	0.000
541	L	125	SER	0	-0.025	-0.026	74.693	0.001	0.001	0.000	0.000	0.000	0.000
542	L	126	SER	0	0.005	-0.017	76.535	0.000	0.000	0.000	0.000	0.000	0.000
543	L	127	GLU	-1	-0.806	-0.912	77.633	-0.026	-0.026	0.000	0.000	0.000	0.000
544	L	128	GLU	-1	-0.800	-0.858	71.876	-0.032	-0.032	0.000	0.000	0.000	0.000
545	L	129	LEU	0	-0.003	0.014	76.162	0.000	0.000	0.000	0.000	0.000	0.000
546	L	130	GLN	0	-0.022	-0.015	78.813	0.000	0.000	0.000	0.000	0.000	0.000
547	L	131	ALA	0	0.014	0.019	77.004	0.000	0.000	0.000	0.000	0.000	0.000
548	L	132	ASN	0	-0.019	-0.012	76.625	-0.001	-0.001	0.000	0.000	0.000	0.000
549	L	133	LYS	1	0.873	0.931	71.787	0.031	0.031	0.000	0.000	0.000	0.000
550	L	134	ALA	0	0.018	-0.008	72.740	0.001	0.001	0.000	0.000	0.000	0.000
551	L	135	THR	0	-0.023	-0.036	67.809	-0.002	-0.002	0.000	0.000	0.000	0.000
552	L	136	LEU	0	-0.001	0.012	70.258	0.001	0.001	0.000	0.000	0.000	0.000
553	L	137	VAL	0	0.007	0.011	67.278	-0.001	-0.001	0.000	0.000	0.000	0.000
554	L	197	CYS	0	-0.105	-0.038	65.772	0.000	0.000	0.000	0.000	0.000	0.000
555	L	139	LEU	0	-0.037	-0.013	64.698	-0.001	-0.001	0.000	0.000	0.000	0.000
556	L	140	ILE	0	0.026	0.013	61.365	0.001	0.001	0.000	0.000	0.000	0.000
557	L	141	SER	0	0.045	0.003	62.127	-0.001	-0.001	0.000	0.000	0.000	0.000
558	L	142	ASP	-1	-0.770	-0.849	62.167	-0.029	-0.029	0.000	0.000	0.000	0.000
559	L	143	PHE	0	-0.009	0.027	56.340	0.001	0.001	0.000	0.000	0.000	0.000
560	L	144	TYR	0	0.052	0.005	52.253	-0.001	-0.001	0.000	0.000	0.000	0.000
561	L	145	PRO	0	0.037	0.006	52.324	0.001	0.001	0.000	0.000	0.000	0.000
562	L	146	GLY	0	0.003	-0.004	52.863	0.001	0.001	0.000	0.000	0.000	0.000
563	L	147	ALA	0	-0.037	-0.022	52.777	-0.002	-0.002	0.000	0.000	0.000	0.000
564	L	148	VAL	0	-0.020	0.004	54.137	0.001	0.001	0.000	0.000	0.000	0.000
565	L	149	THR	0	-0.031	-0.008	55.182	-0.002	-0.002	0.000	0.000	0.000	0.000
566	L	150	VAL	0	0.025	-0.002	57.834	0.002	0.002	0.000	0.000	0.000	0.000
567	L	151	ALA	0	-0.016	0.005	60.677	-0.001	-0.001	0.000	0.000	0.000	0.000
568	L	152	TRP	0	0.055	0.004	63.391	0.002	0.002	0.000	0.000	0.000	0.000
569	L	153	LYS	1	0.851	0.903	66.759	0.028	0.028	0.000	0.000	0.000	0.000
570	L	154	ALA	0	0.035	0.028	69.654	0.001	0.001	0.000	0.000	0.000	0.000
571	L	155	ASP	-1	-0.794	-0.869	72.790	-0.027	-0.027	0.000	0.000	0.000	0.000
572	L	156	SER	0	0.011	-0.008	73.688	0.000	0.000	0.000	0.000	0.000	0.000
573	L	157	SER	0	-0.051	-0.039	71.353	0.000	0.000	0.000	0.000	0.000	0.000
574	L	158	PRO	0	-0.027	0.000	65.800	0.000	0.000	0.000	0.000	0.000	0.000
575	L	159	VAL	0	0.006	0.006	67.281	-0.001	-0.001	0.000	0.000	0.000	0.000
576	L	160	LYS	1	0.919	0.955	59.996	0.043	0.043	0.000	0.000	0.000	0.000
577	L	161	ALA	0	0.030	0.016	62.580	-0.002	-0.002	0.000	0.000	0.000	0.000
578	L	162	GLY	0	0.028	0.022	63.107	0.001	0.001	0.000	0.000	0.000	0.000
579	L	163	VAL	0	0.009	-0.012	61.252	0.001	0.001	0.000	0.000	0.000	0.000
580	L	164	GLU	-1	-0.844	-0.902	58.997	-0.045	-0.045	0.000	0.000	0.000	0.000
581	L	165	THR	0	-0.003	-0.028	57.289	0.002	0.002	0.000	0.000	0.000	0.000
582	L	166	THR	0	-0.061	-0.019	56.388	-0.001	-0.001	0.000	0.000	0.000	0.000
583	L	167	THR	0	-0.009	-0.009	51.443	-0.001	-0.001	0.000	0.000	0.000	0.000
584	L	168	PRO	0	0.002	0.004	52.679	0.002	0.002	0.000	0.000	0.000	0.000
585	L	169	SER	0	-0.005	0.005	52.851	-0.003	-0.003	0.000	0.000	0.000	0.000
586	L	170	LYS	1	0.911	0.958	51.174	0.045	0.045	0.000	0.000	0.000	0.000
587	L	171	GLN	0	0.035	0.021	55.341	0.000	0.000	0.000	0.000	0.000	0.000
588	L	172	SER	0	0.014	0.004	58.596	0.000	0.000	0.000	0.000	0.000	0.000
589	L	173	ASN	0	0.035	-0.005	60.281	0.000	0.000	0.000	0.000	0.000	0.000
590	L	174	ASN	0	-0.044	-0.028	53.796	-0.001	-0.001	0.000	0.000	0.000	0.000
591	L	175	LYS	1	0.812	0.930	55.925	0.028	0.028	0.000	0.000	0.000	0.000
592	L	176	TYR	0	-0.035	-0.019	51.143	-0.002	-0.002	0.000	0.000	0.000	0.000
593	L	177	ALA	0	-0.001	-0.004	57.400	0.002	0.002	0.000	0.000	0.000	0.000
594	L	178	ALA	0	-0.013	-0.018	57.676	-0.002	-0.002	0.000	0.000	0.000	0.000
595	L	179	SER	0	0.038	0.028	59.498	0.002	0.002	0.000	0.000	0.000	0.000
596	L	180	SER	0	0.000	-0.004	60.579	-0.002	-0.002	0.000	0.000	0.000	0.000
597	L	181	TYR	0	0.007	0.023	62.110	0.002	0.002	0.000	0.000	0.000	0.000
598	L	182	LEU	0	-0.006	0.020	64.745	-0.001	-0.001	0.000	0.000	0.000	0.000
599	L	183	SER	0	-0.031	-0.017	66.085	0.001	0.001	0.000	0.000	0.000	0.000
600	L	184	LEU	0	-0.042	-0.017	68.523	0.000	0.000	0.000	0.000	0.000	0.000
601	L	185	THR	0	0.044	0.014	71.754	0.000	0.000	0.000	0.000	0.000	0.000
602	L	186	PRO	0	0.018	0.001	74.924	0.000	0.000	0.000	0.000	0.000	0.000
603	L	187	GLU	-1	-0.853	-0.937	78.239	-0.026	-0.026	0.000	0.000	0.000	0.000
604	L	188	GLN	0	0.029	0.035	71.805	0.000	0.000	0.000	0.000	0.000	0.000
605	L	189	TRP	0	0.021	0.017	75.704	0.000	0.000	0.000	0.000	0.000	0.000
606	L	190	LYS	1	0.950	0.968	76.952	0.024	0.024	0.000	0.000	0.000	0.000
607	L	191	SER	0	-0.052	-0.033	77.522	0.001	0.001	0.000	0.000	0.000	0.000
608	L	192	HIS	1	0.817	0.895	74.799	0.028	0.028	0.000	0.000	0.000	0.000
609	L	193	ARG	1	0.968	0.992	78.610	0.023	0.023	0.000	0.000	0.000	0.000
610	L	194	SER	0	0.000	-0.014	76.507	0.001	0.001	0.000	0.000	0.000	0.000
611	L	195	TYR	0	-0.066	-0.054	71.809	-0.001	-0.001	0.000	0.000	0.000	0.000
612	L	196	SER	0	0.000	-0.009	70.922	0.001	0.001	0.000	0.000	0.000	0.000
613	L	198	GLN	0	-0.038	-0.035	65.728	0.000	0.000	0.000	0.000	0.000	0.000
614	L	199	VAL	0	0.015	0.002	61.495	-0.001	-0.001	0.000	0.000	0.000	0.000
615	L	200	THR	0	-0.016	-0.013	59.028	0.001	0.001	0.000	0.000	0.000	0.000
616	L	201	HIS	0	0.047	0.009	56.545	-0.003	-0.003	0.000	0.000	0.000	0.000
617	L	202	GLU	-1	-0.829	-0.891	53.206	-0.040	-0.040	0.000	0.000	0.000	0.000
618	L	203	GLY	0	0.023	0.027	56.649	0.001	0.001	0.000	0.000	0.000	0.000
619	L	204	SER	0	-0.070	-0.035	59.349	0.001	0.001	0.000	0.000	0.000	0.000
620	L	205	THR	0	0.032	0.000	61.782	-0.002	-0.002	0.000	0.000	0.000	0.000
621	L	206	VAL	0	-0.029	0.001	64.427	0.001	0.001	0.000	0.000	0.000	0.000
622	L	207	GLU	-1	-0.747	-0.835	66.933	-0.030	-0.030	0.000	0.000	0.000	0.000
623	L	208	LYS	1	0.875	0.940	69.760	0.028	0.028	0.000	0.000	0.000	0.000
624	L	209	THR	0	0.019	-0.006	71.770	-0.001	-0.001	0.000	0.000	0.000	0.000
625	L	210	VAL	0	0.002	0.011	74.119	0.001	0.001	0.000	0.000	0.000	0.000
626	L	211	ALA	0	0.041	0.002	76.684	0.000	0.000	0.000	0.000	0.000	0.000
627	L	212	PRO	0	-0.030	0.013	79.058	0.001	0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:329:PHE )