FMO DATABASE

FMODB ID: 3N63L

Calculation Name: 7BZ5-AHL-Xray214

Preferred Name:

Target Type:

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

ligand 3-letter code: NAG

PDB ID: 7BZ5

Chain ID: AHL

ChEMBL ID:

UniProt ID: P0DTC2

Base Structure: X-ray

Registration Date: 2021-04-08

Reference: K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian, Y. Kawashima, N. Kawashita, T. Takagi, K. Fukuzawa, Intermolecular interaction analyses on SARS-CoV-2 receptor binding domain and human angiotensin-converting enzyme 2 receptor-blocking antibody/peptide using fragment molecular orbital calculation, J. Phys. Chem. Lett. 2021, 12, 16, 4059-4066

DOI: 10.1021/acs.jpclett.1c00663

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	621
LigandCharge	None
Software	MIZUHO/ABINIT-MP 4.0(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-12701396.627514
FMO2-HF: Nuclear repulsion	12459607.871751
FMO2-HF: Total energy	-241788.755763
FMO2-MP2: Total energy	-242491.364923

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Antigen and antibody binding energy (frag 1-190,621 : frag 191-620)

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.
-574.7526	-540.9289	309.4127	-142.5872	-200.6492	0.0343

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.
-13.793	-11.977	8.648	-4.93	-5.534	-0.039

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 : -0.021 / q_NPA : -0.028

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	-0.082	-0.005	1.865	-15.343	-15.299	8.397	-4.268	-4.173	-0.037
4	A	337	PRO	0	0.050	0.036	5.588	0.744	0.744	0.000	0.000	0.000	0.000
5	A	338	PHE	0	0.021	-0.013	8.298	-0.164	-0.164	0.000	0.000	0.000	0.000
6	A	339	GLY	0	0.038	0.024	11.327	-0.058	-0.058	0.000	0.000	0.000	0.000
7	A	340	GLU	-1	-0.833	-0.907	9.301	0.465	0.465	0.000	0.000	0.000	0.000
8	A	341	VAL	0	-0.054	-0.022	12.678	-0.112	-0.112	0.000	0.000	0.000	0.000
9	A	342	PHE	0	-0.005	-0.022	15.174	-0.025	-0.025	0.000	0.000	0.000	0.000
10	A	343	ASN	0	-0.280	-0.227	16.499	-0.101	-0.101	0.000	0.000	0.000	0.000
11	A	344	ALA	0	0.017	0.032	17.497	0.048	0.048	0.000	0.000	0.000	0.000
12	A	345	THR	0	0.033	-0.001	18.761	-0.034	-0.034	0.000	0.000	0.000	0.000
13	A	346	ARG	1	0.850	0.940	21.704	-0.119	-0.119	0.000	0.000	0.000	0.000
14	A	347	PHE	0	0.046	0.031	20.101	-0.010	-0.010	0.000	0.000	0.000	0.000
15	A	348	ALA	0	-0.002	0.001	22.735	0.005	0.005	0.000	0.000	0.000	0.000
16	A	349	SER	0	0.022	-0.003	24.430	0.008	0.008	0.000	0.000	0.000	0.000
17	A	350	VAL	0	0.017	0.021	26.892	-0.016	-0.016	0.000	0.000	0.000	0.000
18	A	351	TYR	0	0.026	0.007	27.557	-0.022	-0.022	0.000	0.000	0.000	0.000
19	A	352	ALA	0	-0.044	-0.010	26.395	-0.017	-0.017	0.000	0.000	0.000	0.000
20	A	353	TRP	0	-0.064	-0.002	20.776	-0.002	-0.002	0.000	0.000	0.000	0.000
21	A	354	ASN	0	0.021	0.016	16.602	-0.036	-0.036	0.000	0.000	0.000	0.000
22	A	355	ARG	1	0.836	0.885	16.518	0.520	0.520	0.000	0.000	0.000	0.000
23	A	356	LYS	1	0.810	0.907	9.360	0.071	0.071	0.000	0.000	0.000	0.000
24	A	357	ARG	1	0.912	0.958	10.475	1.261	1.261	0.000	0.000	0.000	0.000
25	A	358	ILE	0	-0.019	-0.012	7.744	-0.014	-0.014	0.000	0.000	0.000	0.000
26	A	359	SER	0	0.031	-0.002	6.712	0.790	0.790	0.000	0.000	0.000	0.000
27	A	360	ASN	0	-0.004	-0.009	3.878	-0.554	-0.042	0.000	-0.213	-0.299	-0.001
28	A	362	VAL	0	0.035	0.026	2.564	1.673	2.943	0.252	-0.441	-1.081	-0.001
29	A	363	ALA	0	0.004	-0.019	5.321	1.041	1.031	-0.001	-0.008	0.019	0.000
30	A	364	ASP	-1	-0.811	-0.899	8.715	0.174	0.174	0.000	0.000	0.000	0.000
31	A	365	TYR	0	0.045	0.000	10.929	0.116	0.116	0.000	0.000	0.000	0.000
32	A	366	SER	0	0.005	-0.008	14.377	0.036	0.036	0.000	0.000	0.000	0.000
33	A	367	VAL	0	-0.024	-0.009	12.854	0.030	0.030	0.000	0.000	0.000	0.000
34	A	368	LEU	0	-0.050	-0.010	14.144	0.032	0.032	0.000	0.000	0.000	0.000
35	A	369	TYR	0	0.007	-0.011	17.327	0.001	0.001	0.000	0.000	0.000	0.000
36	A	370	ASN	0	-0.079	-0.046	19.448	0.003	0.003	0.000	0.000	0.000	0.000
37	A	371	SER	0	0.055	0.042	19.814	0.058	0.058	0.000	0.000	0.000	0.000
38	A	372	ALA	0	-0.017	-0.011	21.602	0.021	0.021	0.000	0.000	0.000	0.000
39	A	373	SER	0	-0.044	-0.024	22.265	-0.018	-0.018	0.000	0.000	0.000	0.000
40	A	374	PHE	0	-0.035	-0.010	19.143	-0.015	-0.015	0.000	0.000	0.000	0.000
41	A	375	SER	0	0.062	0.025	25.104	-0.004	-0.004	0.000	0.000	0.000	0.000
42	A	376	THR	0	-0.113	-0.061	26.841	-0.019	-0.019	0.000	0.000	0.000	0.000
43	A	377	PHE	0	0.065	0.027	18.840	0.000	0.000	0.000	0.000	0.000	0.000
44	A	378	LYS	1	0.928	0.977	24.769	0.106	0.106	0.000	0.000	0.000	0.000
45	A	432	CYS	0	-0.102	-0.020	19.742	0.031	0.031	0.000	0.000	0.000	0.000
46	A	380	TYR	0	0.039	0.010	23.666	0.042	0.042	0.000	0.000	0.000	0.000
47	A	381	GLY	0	0.047	0.028	23.571	-0.044	-0.044	0.000	0.000	0.000	0.000
48	A	382	VAL	0	-0.009	-0.006	19.776	-0.012	-0.012	0.000	0.000	0.000	0.000
49	A	383	SER	0	-0.054	-0.047	22.648	0.052	0.052	0.000	0.000	0.000	0.000
50	A	384	PRO	0	0.015	0.001	21.243	-0.033	-0.033	0.000	0.000	0.000	0.000
51	A	385	THR	0	0.034	0.014	20.004	-0.006	-0.006	0.000	0.000	0.000	0.000
52	A	386	LYS	1	0.966	0.986	19.155	0.218	0.218	0.000	0.000	0.000	0.000
53	A	387	LEU	0	0.042	0.023	16.203	-0.051	-0.051	0.000	0.000	0.000	0.000
54	A	388	ASN	0	-0.044	-0.022	13.246	-0.188	-0.188	0.000	0.000	0.000	0.000
55	A	389	ASP	-1	-0.861	-0.932	13.091	-0.489	-0.489	0.000	0.000	0.000	0.000
56	A	390	LEU	0	-0.044	-0.009	14.689	-0.023	-0.023	0.000	0.000	0.000	0.000
57	A	525	CYS	0	-0.029	-0.015	7.855	0.545	0.545	0.000	0.000	0.000	0.000
58	A	392	PHE	0	0.016	0.008	12.041	0.242	0.242	0.000	0.000	0.000	0.000
59	A	393	THR	0	-0.009	-0.015	11.459	-0.325	-0.325	0.000	0.000	0.000	0.000
60	A	394	ASN	0	-0.042	-0.005	10.506	-0.216	-0.216	0.000	0.000	0.000	0.000
61	A	395	VAL	0	0.050	0.036	10.989	0.217	0.217	0.000	0.000	0.000	0.000
62	A	396	TYR	0	-0.082	-0.066	12.284	-0.090	-0.090	0.000	0.000	0.000	0.000
63	A	397	ALA	0	0.020	0.008	13.972	0.065	0.065	0.000	0.000	0.000	0.000
64	A	398	ASP	-1	-0.710	-0.795	15.590	-0.405	-0.405	0.000	0.000	0.000	0.000
65	A	399	SER	0	-0.018	-0.011	18.745	0.020	0.020	0.000	0.000	0.000	0.000
66	A	400	PHE	0	-0.001	-0.011	20.593	0.005	0.005	0.000	0.000	0.000	0.000
67	A	401	VAL	0	0.000	0.011	24.167	0.011	0.011	0.000	0.000	0.000	0.000
68	A	402	ILE	0	-0.017	0.000	27.343	-0.015	-0.015	0.000	0.000	0.000	0.000
69	A	403	ARG	1	0.786	0.877	30.519	0.034	0.034	0.000	0.000	0.000	0.000
70	A	404	GLY	0	0.055	0.024	32.942	-0.012	-0.012	0.000	0.000	0.000	0.000
71	A	405	ASP	-1	-0.849	-0.915	33.952	-0.022	-0.022	0.000	0.000	0.000	0.000
72	A	406	GLU	-1	-0.866	-0.939	33.646	-0.055	-0.055	0.000	0.000	0.000	0.000
73	A	407	VAL	0	0.020	0.013	28.808	-0.017	-0.017	0.000	0.000	0.000	0.000
74	A	408	ARG	1	0.845	0.919	30.564	0.076	0.076	0.000	0.000	0.000	0.000
75	A	409	GLN	0	0.027	0.004	32.618	-0.015	-0.015	0.000	0.000	0.000	0.000
76	A	410	ILE	0	-0.029	0.000	25.795	-0.017	-0.017	0.000	0.000	0.000	0.000
77	A	411	ALA	0	0.020	-0.010	28.070	-0.004	-0.004	0.000	0.000	0.000	0.000
78	A	412	PRO	0	0.045	0.039	27.879	0.006	0.006	0.000	0.000	0.000	0.000
79	A	413	GLY	0	0.034	0.014	30.392	0.019	0.019	0.000	0.000	0.000	0.000
80	A	414	GLN	0	-0.094	-0.016	32.691	0.032	0.032	0.000	0.000	0.000	0.000
81	A	415	THR	0	0.015	0.007	34.679	-0.007	-0.007	0.000	0.000	0.000	0.000
82	A	416	GLY	0	0.023	0.008	36.789	0.007	0.007	0.000	0.000	0.000	0.000
83	A	417	LYS	1	0.903	0.940	36.184	0.046	0.046	0.000	0.000	0.000	0.000
84	A	418	ILE	0	-0.019	0.010	30.597	-0.005	-0.005	0.000	0.000	0.000	0.000
85	A	419	ALA	0	0.047	0.030	31.591	-0.012	-0.012	0.000	0.000	0.000	0.000
86	A	420	ASP	-1	-0.801	-0.878	32.603	-0.140	-0.140	0.000	0.000	0.000	0.000
87	A	421	TYR	0	-0.021	-0.016	34.496	-0.009	-0.009	0.000	0.000	0.000	0.000
88	A	422	ASN	0	-0.042	-0.025	30.368	0.011	0.011	0.000	0.000	0.000	0.000
89	A	423	TYR	0	0.015	-0.041	21.950	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	424	LYS	1	0.909	0.987	28.346	0.196	0.196	0.000	0.000	0.000	0.000
91	A	425	LEU	0	0.004	0.015	24.127	-0.026	-0.026	0.000	0.000	0.000	0.000
92	A	426	PRO	0	-0.010	-0.007	25.389	0.026	0.026	0.000	0.000	0.000	0.000
93	A	427	ASP	-1	-0.867	-0.966	28.378	-0.225	-0.225	0.000	0.000	0.000	0.000
94	A	428	ASP	-1	-0.935	-0.960	27.587	-0.366	-0.366	0.000	0.000	0.000	0.000
95	A	429	PHE	0	-0.063	-0.025	21.467	-0.035	-0.035	0.000	0.000	0.000	0.000
96	A	430	THR	0	0.020	0.011	20.818	0.023	0.023	0.000	0.000	0.000	0.000
97	A	431	GLY	0	0.021	-0.004	19.583	-0.077	-0.077	0.000	0.000	0.000	0.000
98	A	433	VAL	0	0.007	0.010	20.887	-0.014	-0.014	0.000	0.000	0.000	0.000
99	A	434	ILE	0	-0.018	-0.003	19.064	0.024	0.024	0.000	0.000	0.000	0.000
100	A	435	ALA	0	0.010	-0.004	23.099	0.000	0.000	0.000	0.000	0.000	0.000
101	A	436	TRP	0	0.010	0.005	20.450	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	437	ASN	0	-0.008	-0.001	26.942	0.007	0.007	0.000	0.000	0.000	0.000
103	A	438	SER	0	0.021	-0.020	27.174	0.014	0.014	0.000	0.000	0.000	0.000
104	A	439	ASN	0	0.027	0.023	29.176	0.003	0.003	0.000	0.000	0.000	0.000
105	A	440	ASN	0	-0.011	-0.016	28.350	-0.012	-0.012	0.000	0.000	0.000	0.000
106	A	441	LEU	0	-0.028	-0.004	25.321	0.017	0.017	0.000	0.000	0.000	0.000
107	A	442	ASP	-1	-0.749	-0.802	27.626	0.116	0.116	0.000	0.000	0.000	0.000
108	A	443	SER	0	0.004	-0.016	30.621	-0.021	-0.021	0.000	0.000	0.000	0.000
109	A	444	LYS	1	0.877	0.943	32.772	-0.093	-0.093	0.000	0.000	0.000	0.000
110	A	445	VAL	0	0.045	0.008	36.920	-0.010	-0.010	0.000	0.000	0.000	0.000
111	A	446	GLY	0	0.025	0.024	40.644	0.002	0.002	0.000	0.000	0.000	0.000
112	A	447	GLY	0	0.019	0.019	39.154	-0.007	-0.007	0.000	0.000	0.000	0.000
113	A	448	ASN	0	-0.077	-0.063	31.424	0.005	0.005	0.000	0.000	0.000	0.000
114	A	449	TYR	0	0.025	-0.001	35.380	-0.010	-0.010	0.000	0.000	0.000	0.000
115	A	450	ASN	0	-0.052	-0.022	31.167	-0.006	-0.006	0.000	0.000	0.000	0.000
116	A	451	TYR	0	-0.033	-0.041	26.710	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	452	LEU	0	-0.005	-0.001	31.364	0.000	0.000	0.000	0.000	0.000	0.000
118	A	453	TYR	0	0.014	0.000	31.571	-0.010	-0.010	0.000	0.000	0.000	0.000
119	A	454	ARG	1	0.804	0.876	32.495	0.108	0.108	0.000	0.000	0.000	0.000
120	A	455	LEU	0	-0.008	0.010	35.372	-0.004	-0.004	0.000	0.000	0.000	0.000
121	A	456	PHE	0	-0.013	0.004	38.895	-0.003	-0.003	0.000	0.000	0.000	0.000
122	A	457	ARG	1	0.800	0.876	33.481	0.148	0.148	0.000	0.000	0.000	0.000
123	A	458	LYS	1	0.867	0.945	39.450	0.091	0.091	0.000	0.000	0.000	0.000
124	A	459	SER	0	-0.007	-0.011	38.690	0.002	0.002	0.000	0.000	0.000	0.000
125	A	460	ASN	0	0.062	0.017	35.776	0.008	0.008	0.000	0.000	0.000	0.000
126	A	461	LEU	0	-0.090	-0.013	29.872	-0.004	-0.004	0.000	0.000	0.000	0.000
127	A	462	LYS	1	0.906	0.949	30.542	0.216	0.216	0.000	0.000	0.000	0.000
128	A	463	PRO	0	0.027	-0.010	27.623	0.004	0.004	0.000	0.000	0.000	0.000
129	A	464	PHE	0	-0.019	-0.006	22.364	-0.027	-0.027	0.000	0.000	0.000	0.000
130	A	465	GLU	-1	-0.800	-0.876	25.105	-0.214	-0.214	0.000	0.000	0.000	0.000
131	A	466	ARG	1	0.853	0.900	23.514	0.195	0.195	0.000	0.000	0.000	0.000
132	A	467	ASP	-1	-0.788	-0.872	27.275	-0.130	-0.130	0.000	0.000	0.000	0.000
133	A	468	ILE	0	0.021	0.006	27.390	0.014	0.014	0.000	0.000	0.000	0.000
134	A	469	SER	0	0.033	0.030	30.620	0.016	0.016	0.000	0.000	0.000	0.000
135	A	470	THR	0	-0.001	-0.011	34.216	0.002	0.002	0.000	0.000	0.000	0.000
136	A	471	GLU	-1	-0.951	-0.963	36.668	-0.079	-0.079	0.000	0.000	0.000	0.000
137	A	472	ILE	0	-0.034	-0.016	39.731	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	473	TYR	0	-0.051	-0.045	41.484	-0.008	-0.008	0.000	0.000	0.000	0.000
139	A	474	GLN	0	0.035	-0.001	43.417	0.004	0.004	0.000	0.000	0.000	0.000
140	A	475	ALA	0	-0.024	-0.010	46.757	-0.005	-0.005	0.000	0.000	0.000	0.000
141	A	476	GLY	0	0.033	-0.003	48.465	0.001	0.001	0.000	0.000	0.000	0.000
142	A	477	SER	0	0.001	0.004	50.911	-0.003	-0.003	0.000	0.000	0.000	0.000
143	A	478	THR	0	-0.022	-0.001	53.362	0.000	0.000	0.000	0.000	0.000	0.000
144	A	479	PRO	0	0.027	0.009	49.861	0.000	0.000	0.000	0.000	0.000	0.000
145	A	488	CYS	0	0.035	0.037	46.979	-0.003	-0.003	0.000	0.000	0.000	0.000
146	A	481	ASN	0	-0.044	-0.017	48.250	0.001	0.001	0.000	0.000	0.000	0.000
147	A	482	GLY	0	0.021	0.016	44.921	0.002	0.002	0.000	0.000	0.000	0.000
148	A	483	VAL	0	-0.030	-0.009	45.887	0.004	0.004	0.000	0.000	0.000	0.000
149	A	484	GLU	-1	-0.854	-0.935	44.554	-0.026	-0.026	0.000	0.000	0.000	0.000
150	A	485	GLY	0	0.006	-0.016	48.026	0.003	0.003	0.000	0.000	0.000	0.000
151	A	486	PHE	0	-0.025	-0.011	50.336	-0.002	-0.002	0.000	0.000	0.000	0.000
152	A	487	ASN	0	-0.037	-0.023	50.360	-0.002	-0.002	0.000	0.000	0.000	0.000
153	A	489	TYR	0	0.059	0.035	44.614	0.003	0.003	0.000	0.000	0.000	0.000
154	A	490	PHE	0	0.088	0.041	37.131	-0.008	-0.008	0.000	0.000	0.000	0.000
155	A	491	PRO	0	-0.042	-0.012	37.489	0.000	0.000	0.000	0.000	0.000	0.000
156	A	492	LEU	0	-0.039	-0.018	33.549	-0.006	-0.006	0.000	0.000	0.000	0.000
157	A	493	GLN	0	0.031	0.024	36.960	0.010	0.010	0.000	0.000	0.000	0.000
158	A	494	SER	0	0.003	-0.013	36.117	0.000	0.000	0.000	0.000	0.000	0.000
159	A	495	TYR	0	-0.024	-0.036	31.902	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	496	GLY	0	0.021	0.014	36.533	0.001	0.001	0.000	0.000	0.000	0.000
161	A	497	PHE	0	-0.018	0.002	31.923	0.003	0.003	0.000	0.000	0.000	0.000
162	A	498	GLN	0	0.019	0.008	36.676	0.014	0.014	0.000	0.000	0.000	0.000
163	A	499	PRO	0	0.001	0.005	37.339	-0.004	-0.004	0.000	0.000	0.000	0.000
164	A	500	THR	0	0.007	-0.001	38.426	0.001	0.001	0.000	0.000	0.000	0.000
165	A	501	ASN	0	-0.006	0.024	38.264	-0.005	-0.005	0.000	0.000	0.000	0.000
166	A	502	GLY	0	0.065	0.033	40.153	0.006	0.006	0.000	0.000	0.000	0.000
167	A	503	VAL	0	0.022	0.001	35.881	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	504	GLY	0	0.056	0.037	36.425	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	505	TYR	0	0.010	-0.004	37.187	-0.009	-0.009	0.000	0.000	0.000	0.000
170	A	506	GLN	0	-0.034	-0.006	34.639	0.010	0.010	0.000	0.000	0.000	0.000
171	A	507	PRO	0	-0.011	0.006	30.475	-0.014	-0.014	0.000	0.000	0.000	0.000
172	A	508	TYR	0	0.010	0.003	28.734	0.016	0.016	0.000	0.000	0.000	0.000
173	A	509	ARG	1	0.769	0.875	22.775	-0.183	-0.183	0.000	0.000	0.000	0.000
174	A	510	VAL	0	-0.007	-0.011	23.731	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	511	VAL	0	0.005	-0.013	17.258	0.003	0.003	0.000	0.000	0.000	0.000
176	A	512	VAL	0	-0.026	-0.007	20.122	0.005	0.005	0.000	0.000	0.000	0.000
177	A	513	LEU	0	-0.014	0.002	14.778	-0.047	-0.047	0.000	0.000	0.000	0.000
178	A	514	SER	0	0.027	0.003	17.123	0.062	0.062	0.000	0.000	0.000	0.000
179	A	515	PHE	0	-0.009	-0.010	15.043	-0.110	-0.110	0.000	0.000	0.000	0.000
180	A	516	GLU	-1	-0.776	-0.845	15.413	-1.073	-1.073	0.000	0.000	0.000	0.000
181	A	517	LEU	0	0.023	-0.008	15.353	-0.173	-0.173	0.000	0.000	0.000	0.000
182	A	518	LEU	0	0.009	0.005	17.011	0.115	0.115	0.000	0.000	0.000	0.000
183	A	519	HIS	0	-0.016	-0.012	18.314	0.009	0.009	0.000	0.000	0.000	0.000
184	A	520	ALA	0	0.014	0.023	15.504	0.020	0.020	0.000	0.000	0.000	0.000
185	A	521	PRO	0	0.004	-0.013	12.557	-0.012	-0.012	0.000	0.000	0.000	0.000
186	A	522	ALA	0	-0.005	0.004	12.056	-0.092	-0.092	0.000	0.000	0.000	0.000
187	A	523	THR	0	-0.053	-0.048	7.389	-0.463	-0.463	0.000	0.000	0.000	0.000
188	A	524	VAL	0	-0.041	-0.017	6.408	-1.464	-1.464	0.000	0.000	0.000	0.000
189	A	526	GLY	0	0.067	0.048	8.371	-0.243	-0.243	0.000	0.000	0.000	0.000
190	A	527	PRO	0	-0.065	-0.025	7.733	-0.257	-0.257	0.000	0.000	0.000	0.000
191	H	0	ASP	-1	-0.971	-0.995	60.252	-0.042	-0.042	0.000	0.000	0.000	0.000
192	H	1	GLU	-1	-0.916	-0.960	61.003	-0.027	-0.027	0.000	0.000	0.000	0.000
193	H	2	VAL	0	-0.037	-0.024	58.021	-0.003	-0.003	0.000	0.000	0.000	0.000
194	H	3	GLN	0	-0.047	-0.020	60.397	0.004	0.004	0.000	0.000	0.000	0.000
195	H	4	LEU	0	-0.018	-0.014	56.506	-0.003	-0.003	0.000	0.000	0.000	0.000
196	H	5	VAL	0	0.019	0.017	60.822	0.002	0.002	0.000	0.000	0.000	0.000
197	H	6	GLU	-1	-0.826	-0.937	61.333	-0.037	-0.037	0.000	0.000	0.000	0.000
198	H	7	SER	0	-0.032	-0.022	63.880	0.001	0.001	0.000	0.000	0.000	0.000
199	H	8	GLY	0	0.041	0.009	64.339	-0.002	-0.002	0.000	0.000	0.000	0.000
200	H	9	GLY	0	0.013	0.020	66.307	-0.001	-0.001	0.000	0.000	0.000	0.000
201	H	10	GLY	0	0.008	-0.008	67.293	0.000	0.000	0.000	0.000	0.000	0.000
202	H	11	LEU	0	-0.035	-0.010	69.563	0.001	0.001	0.000	0.000	0.000	0.000
203	H	12	VAL	0	-0.014	-0.004	66.805	-0.001	-0.001	0.000	0.000	0.000	0.000
204	H	13	GLN	0	0.031	0.020	69.927	0.002	0.002	0.000	0.000	0.000	0.000
205	H	14	PRO	0	0.006	-0.011	67.274	-0.002	-0.002	0.000	0.000	0.000	0.000
206	H	15	GLY	0	-0.023	-0.005	64.596	0.000	0.000	0.000	0.000	0.000	0.000
207	H	16	GLY	0	-0.014	0.002	64.711	-0.002	-0.002	0.000	0.000	0.000	0.000
208	H	17	SER	0	-0.015	-0.043	61.769	0.000	0.000	0.000	0.000	0.000	0.000
209	H	18	LEU	0	-0.035	-0.009	62.837	0.001	0.001	0.000	0.000	0.000	0.000
210	H	19	ARG	1	0.886	0.955	58.607	0.056	0.056	0.000	0.000	0.000	0.000
211	H	20	LEU	0	0.002	0.024	60.304	0.001	0.001	0.000	0.000	0.000	0.000
212	H	21	SER	0	-0.029	-0.037	60.091	-0.005	-0.005	0.000	0.000	0.000	0.000
213	H	95	CYS	0	-0.054	0.002	56.705	0.002	0.002	0.000	0.000	0.000	0.000
214	H	23	ALA	0	0.013	0.024	58.580	-0.003	-0.003	0.000	0.000	0.000	0.000
215	H	24	ALA	0	0.029	0.013	56.781	0.003	0.003	0.000	0.000	0.000	0.000
216	H	25	SER	0	-0.032	-0.011	58.759	-0.001	-0.001	0.000	0.000	0.000	0.000
217	H	26	GLY	0	0.126	0.071	58.126	0.001	0.001	0.000	0.000	0.000	0.000
218	H	27	PHE	0	-0.035	-0.028	52.598	0.000	0.000	0.000	0.000	0.000	0.000
219	H	28	ILE	0	0.019	0.024	50.397	-0.001	-0.001	0.000	0.000	0.000	0.000
220	H	29	VAL	0	0.033	0.019	50.654	-0.002	-0.002	0.000	0.000	0.000	0.000
221	H	30	SER	0	-0.031	-0.044	48.142	-0.002	-0.002	0.000	0.000	0.000	0.000
222	H	31	SER	0	-0.003	0.012	46.199	-0.008	-0.008	0.000	0.000	0.000	0.000
223	H	32	ASN	0	-0.009	0.007	46.274	0.004	0.004	0.000	0.000	0.000	0.000
224	H	33	TYR	0	-0.028	-0.006	40.762	-0.005	-0.005	0.000	0.000	0.000	0.000
225	H	34	MET	0	-0.015	0.013	47.282	0.005	0.005	0.000	0.000	0.000	0.000
226	H	35	SER	0	0.036	0.003	50.055	-0.003	-0.003	0.000	0.000	0.000	0.000
227	H	36	TRP	0	-0.024	-0.007	52.130	0.002	0.002	0.000	0.000	0.000	0.000
228	H	37	VAL	0	-0.003	-0.010	54.472	0.000	0.000	0.000	0.000	0.000	0.000
229	H	38	ARG	1	0.783	0.865	56.805	0.032	0.032	0.000	0.000	0.000	0.000
230	H	39	GLN	0	-0.001	0.010	60.009	0.001	0.001	0.000	0.000	0.000	0.000
231	H	40	ALA	0	0.049	0.036	62.840	-0.001	-0.001	0.000	0.000	0.000	0.000
232	H	41	PRO	0	0.020	-0.008	65.186	0.002	0.002	0.000	0.000	0.000	0.000
233	H	42	GLY	0	0.020	0.023	68.783	0.001	0.001	0.000	0.000	0.000	0.000
234	H	43	LYS	1	0.833	0.913	63.638	0.014	0.014	0.000	0.000	0.000	0.000
235	H	44	GLY	0	0.089	0.040	61.390	0.000	0.000	0.000	0.000	0.000	0.000
236	H	45	LEU	0	-0.050	-0.012	58.046	-0.002	-0.002	0.000	0.000	0.000	0.000
237	H	46	GLU	-1	-0.766	-0.843	55.958	-0.027	-0.027	0.000	0.000	0.000	0.000
238	H	47	TRP	0	0.024	0.001	47.807	-0.002	-0.002	0.000	0.000	0.000	0.000
239	H	48	VAL	0	-0.008	0.002	53.813	0.000	0.000	0.000	0.000	0.000	0.000
240	H	49	SER	0	-0.003	-0.024	50.219	-0.004	-0.004	0.000	0.000	0.000	0.000
241	H	50	VAL	0	-0.023	0.007	46.073	0.003	0.003	0.000	0.000	0.000	0.000
242	H	51	ILE	0	-0.008	-0.002	46.730	-0.005	-0.005	0.000	0.000	0.000	0.000
243	H	52	TYR	0	0.070	0.030	40.051	0.005	0.005	0.000	0.000	0.000	0.000
244	H	53	SER	0	0.022	0.008	42.333	-0.002	-0.002	0.000	0.000	0.000	0.000
245	H	54	GLY	0	0.023	0.019	40.601	-0.003	-0.003	0.000	0.000	0.000	0.000
246	H	55	GLY	0	-0.040	-0.021	41.615	-0.007	-0.007	0.000	0.000	0.000	0.000
247	H	56	SER	0	-0.038	-0.042	39.446	0.000	0.000	0.000	0.000	0.000	0.000
248	H	57	THR	0	-0.032	-0.015	42.606	0.007	0.007	0.000	0.000	0.000	0.000
249	H	58	TYR	0	-0.011	-0.009	39.811	0.000	0.000	0.000	0.000	0.000	0.000
250	H	59	TYR	0	0.026	0.020	46.337	0.004	0.004	0.000	0.000	0.000	0.000
251	H	60	ALA	0	0.061	0.036	48.826	0.000	0.000	0.000	0.000	0.000	0.000
252	H	61	ASP	-1	-0.831	-0.916	48.934	-0.047	-0.047	0.000	0.000	0.000	0.000
253	H	62	SER	0	-0.030	-0.017	51.515	-0.002	-0.002	0.000	0.000	0.000	0.000
254	H	63	VAL	0	-0.014	-0.011	53.302	0.000	0.000	0.000	0.000	0.000	0.000
255	H	64	LYS	1	0.838	0.907	46.611	0.049	0.049	0.000	0.000	0.000	0.000
256	H	65	GLY	0	-0.016	-0.003	51.220	0.001	0.001	0.000	0.000	0.000	0.000
257	H	66	ARG	1	0.725	0.837	52.466	0.041	0.041	0.000	0.000	0.000	0.000
258	H	67	PHE	0	0.023	-0.005	54.638	0.000	0.000	0.000	0.000	0.000	0.000
259	H	68	THR	0	-0.035	-0.021	51.227	-0.004	-0.004	0.000	0.000	0.000	0.000
260	H	69	ILE	0	-0.006	0.016	49.883	0.002	0.002	0.000	0.000	0.000	0.000
261	H	70	SER	0	-0.013	-0.010	51.193	-0.005	-0.005	0.000	0.000	0.000	0.000
262	H	71	ARG	1	0.870	0.910	45.353	0.091	0.091	0.000	0.000	0.000	0.000
263	H	72	HIS	0	0.014	0.019	52.771	-0.003	-0.003	0.000	0.000	0.000	0.000
264	H	73	ASN	0	0.055	0.034	51.027	0.004	0.004	0.000	0.000	0.000	0.000
265	H	74	SER	0	0.037	0.006	53.180	0.002	0.002	0.000	0.000	0.000	0.000
266	H	75	LYS	1	0.901	0.959	56.155	0.067	0.067	0.000	0.000	0.000	0.000
267	H	76	ASN	0	0.013	0.021	54.677	0.000	0.000	0.000	0.000	0.000	0.000
268	H	77	THR	0	-0.005	-0.009	56.315	0.004	0.004	0.000	0.000	0.000	0.000
269	H	78	LEU	0	-0.004	0.000	52.507	-0.005	-0.005	0.000	0.000	0.000	0.000
270	H	79	TYR	0	0.000	-0.027	55.182	0.001	0.001	0.000	0.000	0.000	0.000
271	H	80	LEU	0	0.038	0.020	55.007	-0.002	-0.002	0.000	0.000	0.000	0.000
272	H	81	GLN	0	-0.018	-0.012	56.414	0.002	0.002	0.000	0.000	0.000	0.000
273	H	82	MET	0	-0.027	-0.001	57.081	0.000	0.000	0.000	0.000	0.000	0.000
274	H	83	ASN	0	0.076	0.047	57.240	0.002	0.002	0.000	0.000	0.000	0.000
275	H	84	SER	0	0.014	0.010	59.667	0.000	0.000	0.000	0.000	0.000	0.000
276	H	85	LEU	0	-0.016	0.007	61.496	0.001	0.001	0.000	0.000	0.000	0.000
277	H	86	ARG	1	0.932	0.953	57.900	0.037	0.037	0.000	0.000	0.000	0.000
278	H	87	ALA	0	0.047	0.025	64.702	0.000	0.000	0.000	0.000	0.000	0.000
279	H	88	GLU	-1	-0.840	-0.922	61.818	-0.029	-0.029	0.000	0.000	0.000	0.000
280	H	89	ASP	-1	-0.770	-0.833	60.648	-0.037	-0.037	0.000	0.000	0.000	0.000
281	H	90	THR	0	-0.018	-0.002	63.233	-0.001	-0.001	0.000	0.000	0.000	0.000
282	H	91	ALA	0	-0.010	-0.012	63.345	0.002	0.002	0.000	0.000	0.000	0.000
283	H	92	VAL	0	-0.035	0.004	64.549	-0.001	-0.001	0.000	0.000	0.000	0.000
284	H	93	TYR	0	-0.030	-0.039	59.313	-0.001	-0.001	0.000	0.000	0.000	0.000
285	H	94	TYR	0	0.045	0.023	59.541	0.001	0.001	0.000	0.000	0.000	0.000
286	H	96	ALA	0	0.042	0.003	54.751	0.003	0.003	0.000	0.000	0.000	0.000
287	H	97	ARG	1	0.759	0.840	50.176	0.036	0.036	0.000	0.000	0.000	0.000
288	H	98	GLU	-1	-0.884	-0.932	46.740	-0.035	-0.035	0.000	0.000	0.000	0.000
289	H	99	ALA	0	-0.027	-0.016	47.237	-0.005	-0.005	0.000	0.000	0.000	0.000
290	H	100	TYR	0	0.023	0.007	43.468	0.000	0.000	0.000	0.000	0.000	0.000
291	H	101	GLY	0	0.056	0.033	48.220	0.004	0.004	0.000	0.000	0.000	0.000
292	H	102	MET	0	-0.041	-0.023	50.447	-0.003	-0.003	0.000	0.000	0.000	0.000
293	H	103	ASP	-1	-0.738	-0.846	53.038	-0.029	-0.029	0.000	0.000	0.000	0.000
294	H	104	VAL	0	-0.037	-0.003	54.981	0.002	0.002	0.000	0.000	0.000	0.000
295	H	105	TRP	0	-0.012	-0.029	56.129	-0.003	-0.003	0.000	0.000	0.000	0.000
296	H	106	GLY	0	0.033	0.021	59.099	0.000	0.000	0.000	0.000	0.000	0.000
297	H	107	GLN	0	-0.036	-0.026	61.614	0.001	0.001	0.000	0.000	0.000	0.000
298	H	108	GLY	0	0.002	0.008	63.825	0.002	0.002	0.000	0.000	0.000	0.000
299	H	109	THR	0	-0.052	-0.040	63.691	0.000	0.000	0.000	0.000	0.000	0.000
300	H	110	THR	0	-0.003	-0.012	65.431	0.000	0.000	0.000	0.000	0.000	0.000
301	H	111	VAL	0	-0.002	0.011	64.006	-0.001	-0.001	0.000	0.000	0.000	0.000
302	H	112	THR	0	-0.026	-0.021	67.249	0.002	0.002	0.000	0.000	0.000	0.000
303	H	113	VAL	0	0.019	0.014	65.540	-0.001	-0.001	0.000	0.000	0.000	0.000
304	H	114	SER	0	0.009	-0.005	69.006	0.002	0.002	0.000	0.000	0.000	0.000
305	H	115	SER	0	0.042	0.007	72.118	-0.001	-0.001	0.000	0.000	0.000	0.000
306	H	116	ALA	0	-0.038	0.004	74.222	0.000	0.000	0.000	0.000	0.000	0.000
307	H	117	SER	0	0.013	0.004	76.950	-0.001	-0.001	0.000	0.000	0.000	0.000
308	H	118	THR	0	-0.056	-0.036	79.594	0.001	0.001	0.000	0.000	0.000	0.000
309	H	119	LYS	1	0.840	0.919	81.338	0.017	0.017	0.000	0.000	0.000	0.000
310	H	120	GLY	0	0.084	0.052	84.058	0.000	0.000	0.000	0.000	0.000	0.000
311	H	121	PRO	0	-0.058	-0.022	85.977	0.000	0.000	0.000	0.000	0.000	0.000
312	H	122	SER	0	0.004	0.003	87.519	0.000	0.000	0.000	0.000	0.000	0.000
313	H	123	VAL	0	-0.011	-0.006	89.711	0.000	0.000	0.000	0.000	0.000	0.000
314	H	124	PHE	0	0.022	0.002	90.266	0.000	0.000	0.000	0.000	0.000	0.000
315	H	125	PRO	0	0.006	0.008	93.223	0.000	0.000	0.000	0.000	0.000	0.000
316	H	126	LEU	0	-0.040	-0.017	89.950	0.000	0.000	0.000	0.000	0.000	0.000
317	H	127	ALA	0	0.033	0.007	94.683	0.000	0.000	0.000	0.000	0.000	0.000
318	H	128	PRO	0	0.007	0.011	97.923	0.000	0.000	0.000	0.000	0.000	0.000
319	H	129	SER	0	-0.012	-0.011	98.892	0.000	0.000	0.000	0.000	0.000	0.000
320	H	130	SER	0	0.015	-0.011	100.603	0.000	0.000	0.000	0.000	0.000	0.000
321	H	131	LYS	1	0.922	0.958	102.776	0.000	0.000	0.000	0.000	0.000	0.000
322	H	132	SER	0	0.062	0.044	101.839	0.000	0.000	0.000	0.000	0.000	0.000
323	H	133	THR	0	-0.024	-0.025	98.574	0.000	0.000	0.000	0.000	0.000	0.000
324	H	134	SER	0	0.016	-0.001	99.625	0.000	0.000	0.000	0.000	0.000	0.000
325	H	135	GLY	0	0.025	0.022	98.734	0.000	0.000	0.000	0.000	0.000	0.000
326	H	136	GLY	0	-0.016	0.001	99.770	0.000	0.000	0.000	0.000	0.000	0.000
327	H	137	THR	0	-0.022	0.005	95.634	0.000	0.000	0.000	0.000	0.000	0.000
328	H	138	ALA	0	-0.029	-0.017	98.530	0.000	0.000	0.000	0.000	0.000	0.000
329	H	139	ALA	0	0.003	0.008	93.447	0.000	0.000	0.000	0.000	0.000	0.000
330	H	140	LEU	0	-0.013	-0.001	94.990	0.000	0.000	0.000	0.000	0.000	0.000
331	H	141	GLY	0	0.051	0.003	92.273	0.000	0.000	0.000	0.000	0.000	0.000
332	H	198	CYS	0	-0.079	0.001	91.364	0.000	0.000	0.000	0.000	0.000	0.000
333	H	143	LEU	0	0.019	0.016	86.700	0.000	0.000	0.000	0.000	0.000	0.000
334	H	144	VAL	0	-0.019	-0.009	85.913	0.000	0.000	0.000	0.000	0.000	0.000
335	H	145	LYS	1	0.872	0.913	84.932	0.012	0.012	0.000	0.000	0.000	0.000
336	H	146	ASP	-1	-0.782	-0.870	83.548	-0.014	-0.014	0.000	0.000	0.000	0.000
337	H	147	TYR	0	-0.021	-0.032	80.348	0.000	0.000	0.000	0.000	0.000	0.000
338	H	148	PHE	0	0.051	0.022	74.453	0.000	0.000	0.000	0.000	0.000	0.000
339	H	149	PRO	0	0.029	0.025	76.286	0.000	0.000	0.000	0.000	0.000	0.000
340	H	150	GLU	-1	-0.767	-0.869	75.918	-0.015	-0.015	0.000	0.000	0.000	0.000
341	H	151	PRO	0	-0.064	-0.027	77.544	-0.001	-0.001	0.000	0.000	0.000	0.000
342	H	152	VAL	0	-0.014	-0.019	79.581	0.000	0.000	0.000	0.000	0.000	0.000
343	H	153	THR	0	-0.041	-0.013	82.626	0.000	0.000	0.000	0.000	0.000	0.000
344	H	154	VAL	0	-0.001	-0.013	85.095	0.000	0.000	0.000	0.000	0.000	0.000
345	H	155	SER	0	-0.024	-0.006	87.960	0.000	0.000	0.000	0.000	0.000	0.000
346	H	156	TRP	0	0.027	0.010	90.639	0.000	0.000	0.000	0.000	0.000	0.000
347	H	157	ASN	0	-0.002	-0.014	93.983	0.000	0.000	0.000	0.000	0.000	0.000
348	H	158	SER	0	-0.004	-0.011	95.074	0.000	0.000	0.000	0.000	0.000	0.000
349	H	159	GLY	0	-0.007	0.002	92.817	0.000	0.000	0.000	0.000	0.000	0.000
350	H	160	ALA	0	-0.024	-0.004	93.692	0.000	0.000	0.000	0.000	0.000	0.000
351	H	161	LEU	0	-0.041	-0.010	94.721	0.001	0.001	0.000	0.000	0.000	0.000
352	H	162	THR	0	0.010	-0.007	90.473	0.000	0.000	0.000	0.000	0.000	0.000
353	H	163	SER	0	0.004	-0.005	90.713	0.000	0.000	0.000	0.000	0.000	0.000
354	H	164	GLY	0	0.057	0.024	91.104	0.000	0.000	0.000	0.000	0.000	0.000
355	H	165	VAL	0	-0.033	-0.007	88.339	0.000	0.000	0.000	0.000	0.000	0.000
356	H	166	HIS	0	-0.019	-0.004	85.403	0.000	0.000	0.000	0.000	0.000	0.000
357	H	167	THR	0	-0.003	-0.004	83.450	0.000	0.000	0.000	0.000	0.000	0.000
358	H	168	PHE	0	-0.022	0.000	81.660	0.000	0.000	0.000	0.000	0.000	0.000
359	H	169	PRO	0	0.010	0.003	76.675	-0.001	-0.001	0.000	0.000	0.000	0.000
360	H	170	ALA	0	0.011	0.027	78.129	0.001	0.001	0.000	0.000	0.000	0.000
361	H	171	VAL	0	-0.014	-0.001	76.925	0.000	0.000	0.000	0.000	0.000	0.000
362	H	172	LEU	0	-0.021	-0.008	72.569	-0.001	-0.001	0.000	0.000	0.000	0.000
363	H	173	GLN	0	-0.024	-0.018	76.279	0.002	0.002	0.000	0.000	0.000	0.000
364	H	174	SER	0	0.017	0.000	75.974	-0.001	-0.001	0.000	0.000	0.000	0.000
365	H	175	SER	0	0.001	0.000	76.910	-0.001	-0.001	0.000	0.000	0.000	0.000
366	H	176	GLY	0	0.018	0.011	75.831	-0.001	-0.001	0.000	0.000	0.000	0.000
367	H	177	LEU	0	-0.050	-0.015	76.756	-0.001	-0.001	0.000	0.000	0.000	0.000
368	H	178	TYR	0	0.012	0.004	73.531	0.000	0.000	0.000	0.000	0.000	0.000
369	H	179	SER	0	-0.003	-0.004	79.864	0.000	0.000	0.000	0.000	0.000	0.000
370	H	180	LEU	0	0.016	0.025	81.444	0.000	0.000	0.000	0.000	0.000	0.000
371	H	181	SER	0	0.031	0.020	83.512	0.000	0.000	0.000	0.000	0.000	0.000
372	H	182	SER	0	-0.008	-0.009	85.490	0.000	0.000	0.000	0.000	0.000	0.000
373	H	183	VAL	0	0.027	-0.002	88.125	0.000	0.000	0.000	0.000	0.000	0.000
374	H	184	VAL	0	0.018	0.010	90.290	0.000	0.000	0.000	0.000	0.000	0.000
375	H	185	THR	0	-0.034	-0.008	92.169	0.000	0.000	0.000	0.000	0.000	0.000
376	H	186	VAL	0	0.010	0.004	94.610	0.000	0.000	0.000	0.000	0.000	0.000
377	H	187	PRO	0	0.064	0.028	98.194	0.000	0.000	0.000	0.000	0.000	0.000
378	H	188	SER	0	-0.012	-0.020	101.360	0.000	0.000	0.000	0.000	0.000	0.000
379	H	189	SER	0	0.036	0.010	103.180	0.000	0.000	0.000	0.000	0.000	0.000
380	H	190	SER	0	-0.003	-0.014	102.680	0.000	0.000	0.000	0.000	0.000	0.000
381	H	191	LEU	0	-0.030	-0.015	100.803	0.000	0.000	0.000	0.000	0.000	0.000
382	H	192	GLY	0	-0.009	0.005	104.542	0.000	0.000	0.000	0.000	0.000	0.000
383	H	193	THR	0	-0.043	-0.018	107.012	0.000	0.000	0.000	0.000	0.000	0.000
384	H	194	GLN	0	-0.050	-0.014	102.119	0.000	0.000	0.000	0.000	0.000	0.000
385	H	195	THR	0	-0.016	0.000	102.512	0.000	0.000	0.000	0.000	0.000	0.000
386	H	196	TYR	0	0.043	0.018	98.244	0.000	0.000	0.000	0.000	0.000	0.000
387	H	197	ILE	0	0.030	0.004	97.156	0.000	0.000	0.000	0.000	0.000	0.000
388	H	199	ASN	0	0.046	0.011	92.666	0.000	0.000	0.000	0.000	0.000	0.000
389	H	200	VAL	0	0.003	0.002	87.980	0.000	0.000	0.000	0.000	0.000	0.000
390	H	201	ASN	0	-0.032	-0.031	86.288	-0.001	-0.001	0.000	0.000	0.000	0.000
391	H	202	HIS	0	0.009	-0.020	81.398	0.000	0.000	0.000	0.000	0.000	0.000
392	H	203	LYS	1	0.973	0.983	80.978	0.018	0.018	0.000	0.000	0.000	0.000
393	H	204	PRO	0	0.004	0.008	80.075	-0.001	-0.001	0.000	0.000	0.000	0.000
394	H	205	SER	0	0.018	0.001	82.271	-0.001	-0.001	0.000	0.000	0.000	0.000
395	H	206	ASN	0	-0.055	-0.028	85.435	0.001	0.001	0.000	0.000	0.000	0.000
396	H	207	THR	0	0.004	0.027	87.687	0.000	0.000	0.000	0.000	0.000	0.000
397	H	208	LYS	1	0.937	0.964	89.118	0.016	0.016	0.000	0.000	0.000	0.000
398	H	209	VAL	0	0.003	0.000	91.846	0.000	0.000	0.000	0.000	0.000	0.000
399	H	210	ASP	-1	-0.836	-0.893	93.560	-0.012	-0.012	0.000	0.000	0.000	0.000
400	H	211	LYS	1	0.824	0.880	95.293	0.010	0.010	0.000	0.000	0.000	0.000
401	H	212	ARG	1	0.832	0.882	97.166	0.008	0.008	0.000	0.000	0.000	0.000
402	H	213	VAL	0	-0.038	-0.020	95.958	0.000	0.000	0.000	0.000	0.000	0.000
403	H	214	GLU	-1	-0.813	-0.868	99.416	-0.007	-0.007	0.000	0.000	0.000	0.000
404	H	215	PRO	0	0.016	-0.008	102.076	0.000	0.000	0.000	0.000	0.000	0.000
405	H	216	LYS	1	0.851	0.919	101.658	0.005	0.005	0.000	0.000	0.000	0.000
406	H	217	SER	0	0.014	0.015	104.750	0.000	0.000	0.000	0.000	0.000	0.000
407	L	0	ASP	-1	-0.953	-0.981	43.906	0.007	0.007	0.000	0.000	0.000	0.000
408	L	1	ASP	-1	-0.908	-0.967	45.201	-0.014	-0.014	0.000	0.000	0.000	0.000
409	L	2	ILE	0	-0.084	-0.040	43.608	0.005	0.005	0.000	0.000	0.000	0.000
410	L	3	VAL	0	0.005	0.001	47.715	-0.004	-0.004	0.000	0.000	0.000	0.000
411	L	4	MET	0	-0.014	0.008	50.448	0.004	0.004	0.000	0.000	0.000	0.000
412	L	5	THR	0	0.005	0.002	53.135	-0.002	-0.002	0.000	0.000	0.000	0.000
413	L	6	GLN	0	-0.005	-0.017	56.545	0.000	0.000	0.000	0.000	0.000	0.000
414	L	7	SER	0	-0.045	0.003	59.087	0.001	0.001	0.000	0.000	0.000	0.000
415	L	8	PRO	0	0.047	0.019	61.878	0.001	0.001	0.000	0.000	0.000	0.000
416	L	9	SER	0	0.065	0.022	64.238	-0.001	-0.001	0.000	0.000	0.000	0.000
417	L	10	PHE	0	-0.006	0.000	65.713	-0.002	-0.002	0.000	0.000	0.000	0.000
418	L	11	LEU	0	0.011	0.004	66.389	0.002	0.002	0.000	0.000	0.000	0.000
419	L	12	SER	0	0.004	0.006	69.654	-0.001	-0.001	0.000	0.000	0.000	0.000
420	L	13	ALA	0	-0.009	-0.002	71.011	0.002	0.002	0.000	0.000	0.000	0.000
421	L	14	SER	0	0.002	-0.008	73.129	-0.001	-0.001	0.000	0.000	0.000	0.000
422	L	15	VAL	0	-0.004	-0.006	73.856	0.000	0.000	0.000	0.000	0.000	0.000
423	L	16	GLY	0	0.014	0.013	73.504	0.001	0.001	0.000	0.000	0.000	0.000
424	L	17	ASP	-1	-0.774	-0.872	71.244	0.014	0.014	0.000	0.000	0.000	0.000
425	L	18	ARG	1	0.930	0.970	61.905	-0.023	-0.023	0.000	0.000	0.000	0.000
426	L	19	VAL	0	-0.022	-0.010	65.658	0.001	0.001	0.000	0.000	0.000	0.000
427	L	20	THR	0	-0.018	-0.019	60.800	0.001	0.001	0.000	0.000	0.000	0.000
428	L	21	ILE	0	-0.006	0.011	60.469	0.000	0.000	0.000	0.000	0.000	0.000
429	L	22	THR	0	-0.015	-0.003	57.302	0.001	0.001	0.000	0.000	0.000	0.000
430	L	88	CYS	0	-0.065	-0.014	54.193	-0.003	-0.003	0.000	0.000	0.000	0.000
431	L	24	ARG	1	0.852	0.915	53.262	-0.022	-0.022	0.000	0.000	0.000	0.000
432	L	25	ALA	0	0.037	0.018	48.574	-0.004	-0.004	0.000	0.000	0.000	0.000
433	L	26	SER	0	-0.006	0.003	49.238	0.003	0.003	0.000	0.000	0.000	0.000
434	L	27	GLN	0	0.027	0.009	43.134	0.007	0.007	0.000	0.000	0.000	0.000
435	L	28	GLY	0	0.007	0.010	44.080	-0.003	-0.003	0.000	0.000	0.000	0.000
436	L	29	ILE	0	0.007	0.007	42.988	-0.001	-0.001	0.000	0.000	0.000	0.000
437	L	30	SER	0	-0.015	-0.030	41.409	-0.002	-0.002	0.000	0.000	0.000	0.000
438	L	31	SER	0	0.064	0.031	43.653	0.003	0.003	0.000	0.000	0.000	0.000
439	L	32	TYR	0	-0.076	-0.034	38.731	-0.007	-0.007	0.000	0.000	0.000	0.000
440	L	33	LEU	0	-0.005	0.000	45.542	-0.002	-0.002	0.000	0.000	0.000	0.000
441	L	34	ALA	0	0.004	0.005	49.351	0.000	0.000	0.000	0.000	0.000	0.000
442	L	35	TRP	0	0.012	0.000	52.160	0.000	0.000	0.000	0.000	0.000	0.000
443	L	36	TYR	0	-0.005	-0.017	52.666	-0.002	-0.002	0.000	0.000	0.000	0.000
444	L	37	GLN	0	0.021	0.015	58.708	0.000	0.000	0.000	0.000	0.000	0.000
445	L	38	GLN	0	-0.011	-0.025	62.541	-0.001	-0.001	0.000	0.000	0.000	0.000
446	L	39	LYS	1	0.864	0.927	64.681	0.007	0.007	0.000	0.000	0.000	0.000
447	L	40	PRO	0	0.059	0.011	68.370	-0.002	-0.002	0.000	0.000	0.000	0.000
448	L	41	GLY	0	0.010	0.012	69.976	0.000	0.000	0.000	0.000	0.000	0.000
449	L	42	LYS	1	0.873	0.938	67.250	0.015	0.015	0.000	0.000	0.000	0.000
450	L	43	ALA	0	0.108	0.067	62.180	0.001	0.001	0.000	0.000	0.000	0.000
451	L	44	PRO	0	-0.055	-0.025	59.462	0.002	0.002	0.000	0.000	0.000	0.000
452	L	45	LYS	1	0.945	0.982	60.311	0.012	0.012	0.000	0.000	0.000	0.000
453	L	46	LEU	0	-0.016	0.003	53.048	0.002	0.002	0.000	0.000	0.000	0.000
454	L	47	LEU	0	-0.050	-0.024	57.288	0.000	0.000	0.000	0.000	0.000	0.000
455	L	48	ILE	0	-0.004	0.001	52.912	0.001	0.001	0.000	0.000	0.000	0.000
456	L	49	TYR	0	0.052	0.020	48.558	-0.002	-0.002	0.000	0.000	0.000	0.000
457	L	50	ALA	0	0.025	0.010	46.450	0.003	0.003	0.000	0.000	0.000	0.000
458	L	51	ALA	0	-0.006	-0.009	47.932	0.005	0.005	0.000	0.000	0.000	0.000
459	L	52	SER	0	-0.054	-0.026	49.653	0.001	0.001	0.000	0.000	0.000	0.000
460	L	53	THR	0	-0.015	0.010	49.479	0.001	0.001	0.000	0.000	0.000	0.000
461	L	54	LEU	0	-0.015	-0.007	51.898	-0.002	-0.002	0.000	0.000	0.000	0.000
462	L	55	GLN	0	0.044	0.028	54.568	0.000	0.000	0.000	0.000	0.000	0.000
463	L	56	SER	0	0.012	-0.016	54.859	0.001	0.001	0.000	0.000	0.000	0.000
464	L	57	GLY	0	-0.010	-0.004	57.290	-0.002	-0.002	0.000	0.000	0.000	0.000
465	L	58	VAL	0	-0.050	-0.008	59.112	0.000	0.000	0.000	0.000	0.000	0.000
466	L	59	PRO	0	0.008	-0.003	61.381	0.001	0.001	0.000	0.000	0.000	0.000
467	L	60	SER	0	0.051	0.013	61.374	0.000	0.000	0.000	0.000	0.000	0.000
468	L	61	ARG	1	0.739	0.846	62.364	-0.001	-0.001	0.000	0.000	0.000	0.000
469	L	62	PHE	0	-0.024	-0.005	60.447	0.001	0.001	0.000	0.000	0.000	0.000
470	L	63	SER	0	0.009	0.003	57.913	0.001	0.001	0.000	0.000	0.000	0.000
471	L	64	GLY	0	0.009	0.012	54.901	-0.001	-0.001	0.000	0.000	0.000	0.000
472	L	65	SER	0	-0.036	-0.030	53.063	0.003	0.003	0.000	0.000	0.000	0.000
473	L	66	GLY	0	0.083	0.041	51.483	-0.002	-0.002	0.000	0.000	0.000	0.000
474	L	67	SER	0	0.012	-0.024	45.716	-0.001	-0.001	0.000	0.000	0.000	0.000
475	L	68	GLY	0	-0.019	0.010	45.342	0.004	0.004	0.000	0.000	0.000	0.000
476	L	69	THR	0	0.031	0.007	46.376	-0.003	-0.003	0.000	0.000	0.000	0.000
477	L	70	GLU	-1	-0.845	-0.902	49.264	0.028	0.028	0.000	0.000	0.000	0.000
478	L	71	PHE	0	-0.002	0.004	47.725	0.001	0.001	0.000	0.000	0.000	0.000
479	L	72	THR	0	-0.010	-0.010	53.646	0.000	0.000	0.000	0.000	0.000	0.000
480	L	73	LEU	0	-0.010	0.018	56.539	0.000	0.000	0.000	0.000	0.000	0.000
481	L	74	THR	0	-0.006	-0.019	58.883	0.001	0.001	0.000	0.000	0.000	0.000
482	L	75	ILE	0	0.009	0.014	61.561	-0.001	-0.001	0.000	0.000	0.000	0.000
483	L	76	SER	0	-0.021	-0.025	64.345	0.001	0.001	0.000	0.000	0.000	0.000
484	L	77	SER	0	-0.007	-0.014	65.920	0.001	0.001	0.000	0.000	0.000	0.000
485	L	78	LEU	0	-0.042	0.003	68.718	-0.001	-0.001	0.000	0.000	0.000	0.000
486	L	79	GLN	0	0.023	-0.002	70.346	0.000	0.000	0.000	0.000	0.000	0.000
487	L	80	PRO	0	0.040	0.009	72.096	0.000	0.000	0.000	0.000	0.000	0.000
488	L	81	GLU	-1	-0.817	-0.892	69.823	-0.001	-0.001	0.000	0.000	0.000	0.000
489	L	82	ASP	-1	-0.756	-0.847	67.801	0.001	0.001	0.000	0.000	0.000	0.000
490	L	83	PHE	0	-0.020	0.017	68.526	0.000	0.000	0.000	0.000	0.000	0.000
491	L	84	ALA	0	-0.019	-0.017	66.920	-0.002	-0.002	0.000	0.000	0.000	0.000
492	L	85	THR	0	-0.008	0.000	63.902	0.002	0.002	0.000	0.000	0.000	0.000
493	L	86	TYR	0	-0.013	-0.021	61.409	-0.002	-0.002	0.000	0.000	0.000	0.000
494	L	87	TYR	0	0.018	0.020	58.146	0.001	0.001	0.000	0.000	0.000	0.000
495	L	89	GLN	0	0.026	0.013	50.901	-0.001	-0.001	0.000	0.000	0.000	0.000
496	L	90	GLN	0	0.057	0.015	45.079	0.002	0.002	0.000	0.000	0.000	0.000
497	L	91	LEU	0	-0.023	-0.016	45.904	-0.005	-0.005	0.000	0.000	0.000	0.000
498	L	92	ASN	0	0.010	-0.002	38.899	-0.002	-0.002	0.000	0.000	0.000	0.000
499	L	93	SER	0	0.008	-0.008	42.157	0.002	0.002	0.000	0.000	0.000	0.000
500	L	94	TYR	0	-0.050	-0.019	38.294	-0.010	-0.010	0.000	0.000	0.000	0.000
501	L	95	PRO	0	0.087	0.046	43.658	0.003	0.003	0.000	0.000	0.000	0.000
502	L	96	PRO	0	-0.010	0.002	44.517	0.004	0.004	0.000	0.000	0.000	0.000
503	L	97	TYR	0	-0.125	-0.083	46.344	-0.001	-0.001	0.000	0.000	0.000	0.000
504	L	98	THR	0	0.032	0.038	48.955	0.000	0.000	0.000	0.000	0.000	0.000
505	L	99	PHE	0	-0.004	-0.017	51.166	0.002	0.002	0.000	0.000	0.000	0.000
506	L	100	GLY	0	0.014	0.012	54.507	0.001	0.001	0.000	0.000	0.000	0.000
507	L	101	GLN	0	-0.030	-0.051	56.602	-0.001	-0.001	0.000	0.000	0.000	0.000
508	L	102	GLY	0	0.004	0.006	60.076	-0.001	-0.001	0.000	0.000	0.000	0.000
509	L	103	THR	0	-0.048	-0.038	61.936	0.001	0.001	0.000	0.000	0.000	0.000
510	L	104	LYS	1	0.726	0.851	64.233	0.002	0.002	0.000	0.000	0.000	0.000
511	L	105	LEU	0	-0.025	-0.007	67.038	0.002	0.002	0.000	0.000	0.000	0.000
512	L	106	GLU	-1	-0.756	-0.852	69.210	-0.001	-0.001	0.000	0.000	0.000	0.000
513	L	107	ILE	0	0.044	0.018	73.033	0.001	0.001	0.000	0.000	0.000	0.000
514	L	108	LYS	1	0.817	0.904	74.555	-0.012	-0.012	0.000	0.000	0.000	0.000
515	L	109	ARG	1	0.846	0.918	77.288	-0.005	-0.005	0.000	0.000	0.000	0.000
516	L	110	THR	0	0.017	0.003	80.846	0.000	0.000	0.000	0.000	0.000	0.000
517	L	111	VAL	0	-0.001	0.009	81.825	-0.001	-0.001	0.000	0.000	0.000	0.000
518	L	112	ALA	0	-0.014	-0.003	83.950	0.000	0.000	0.000	0.000	0.000	0.000
519	L	113	ALA	0	0.033	0.018	85.522	0.000	0.000	0.000	0.000	0.000	0.000
520	L	114	PRO	0	-0.018	0.010	85.793	0.000	0.000	0.000	0.000	0.000	0.000
521	L	115	SER	0	0.003	0.006	88.048	0.000	0.000	0.000	0.000	0.000	0.000
522	L	116	VAL	0	0.008	0.005	88.871	-0.001	-0.001	0.000	0.000	0.000	0.000
523	L	117	PHE	0	-0.009	-0.011	91.036	0.000	0.000	0.000	0.000	0.000	0.000
524	L	118	ILE	0	-0.004	0.003	91.279	0.000	0.000	0.000	0.000	0.000	0.000
525	L	119	PHE	0	-0.013	-0.006	91.487	0.000	0.000	0.000	0.000	0.000	0.000
526	L	120	PRO	0	0.012	0.001	93.067	0.000	0.000	0.000	0.000	0.000	0.000
527	L	121	PRO	0	0.005	0.024	93.009	0.000	0.000	0.000	0.000	0.000	0.000
528	L	122	SER	0	0.028	0.012	94.507	0.000	0.000	0.000	0.000	0.000	0.000
529	L	123	ASP	-1	-0.746	-0.877	96.845	-0.007	-0.007	0.000	0.000	0.000	0.000
530	L	124	GLU	-1	-0.893	-0.930	96.724	-0.010	-0.010	0.000	0.000	0.000	0.000
531	L	125	GLN	0	0.038	0.014	89.553	0.000	0.000	0.000	0.000	0.000	0.000
532	L	126	LEU	0	0.028	0.016	94.515	0.000	0.000	0.000	0.000	0.000	0.000
533	L	127	LYS	1	0.856	0.925	96.345	0.010	0.010	0.000	0.000	0.000	0.000
534	L	128	SER	0	-0.037	-0.011	92.752	-0.001	-0.001	0.000	0.000	0.000	0.000
535	L	129	GLY	0	0.011	0.010	92.342	0.000	0.000	0.000	0.000	0.000	0.000
536	L	130	THR	0	-0.040	-0.018	87.889	0.000	0.000	0.000	0.000	0.000	0.000
537	L	131	ALA	0	-0.011	0.000	90.514	0.000	0.000	0.000	0.000	0.000	0.000
538	L	132	SER	0	-0.027	-0.020	87.275	0.000	0.000	0.000	0.000	0.000	0.000
539	L	133	VAL	0	-0.019	0.007	89.181	0.000	0.000	0.000	0.000	0.000	0.000
540	L	134	VAL	0	0.013	0.008	87.408	0.000	0.000	0.000	0.000	0.000	0.000
541	L	195	CYS	0	-0.058	-0.015	87.024	0.000	0.000	0.000	0.000	0.000	0.000
542	L	136	LEU	0	-0.035	0.006	86.730	0.000	0.000	0.000	0.000	0.000	0.000
543	L	137	LEU	0	0.020	0.001	83.694	0.001	0.001	0.000	0.000	0.000	0.000
544	L	138	ASN	0	0.002	-0.021	85.908	-0.001	-0.001	0.000	0.000	0.000	0.000
545	L	139	ASN	0	0.021	-0.002	85.982	0.000	0.000	0.000	0.000	0.000	0.000
546	L	140	PHE	0	-0.009	0.007	80.552	0.001	0.001	0.000	0.000	0.000	0.000
547	L	141	TYR	0	0.050	0.015	76.899	0.000	0.000	0.000	0.000	0.000	0.000
548	L	142	PRO	0	0.021	0.016	77.220	0.001	0.001	0.000	0.000	0.000	0.000
549	L	143	ARG	1	0.896	0.913	73.209	-0.001	-0.001	0.000	0.000	0.000	0.000
550	L	144	GLU	-1	-0.900	-0.959	73.926	0.005	0.005	0.000	0.000	0.000	0.000
551	L	145	ALA	0	-0.015	-0.001	77.485	0.001	0.001	0.000	0.000	0.000	0.000
552	L	146	LYS	1	0.897	0.947	78.947	-0.006	-0.006	0.000	0.000	0.000	0.000
553	L	147	VAL	0	0.046	0.020	80.869	0.000	0.000	0.000	0.000	0.000	0.000
554	L	148	GLN	0	-0.057	-0.033	82.279	0.000	0.000	0.000	0.000	0.000	0.000
555	L	149	TRP	0	0.018	0.002	83.815	0.000	0.000	0.000	0.000	0.000	0.000
556	L	150	LYS	1	0.827	0.906	86.339	-0.003	-0.003	0.000	0.000	0.000	0.000
557	L	151	VAL	0	0.026	0.014	89.127	0.000	0.000	0.000	0.000	0.000	0.000
558	L	152	ASP	-1	-0.775	-0.878	91.350	-0.001	-0.001	0.000	0.000	0.000	0.000
559	L	153	ASN	0	-0.047	-0.036	91.559	0.001	0.001	0.000	0.000	0.000	0.000
560	L	154	ALA	0	0.039	0.039	87.989	0.001	0.001	0.000	0.000	0.000	0.000
561	L	155	LEU	0	-0.021	-0.015	83.580	-0.001	-0.001	0.000	0.000	0.000	0.000
562	L	156	GLN	0	-0.037	-0.011	84.375	-0.001	-0.001	0.000	0.000	0.000	0.000
563	L	157	SER	0	0.027	-0.001	77.955	0.000	0.000	0.000	0.000	0.000	0.000
564	L	158	GLY	0	0.012	0.014	77.878	0.000	0.000	0.000	0.000	0.000	0.000
565	L	159	ASN	0	0.011	-0.001	78.854	-0.001	-0.001	0.000	0.000	0.000	0.000
566	L	160	SER	0	0.009	-0.005	80.765	0.000	0.000	0.000	0.000	0.000	0.000
567	L	161	GLN	0	-0.062	-0.031	76.455	0.000	0.000	0.000	0.000	0.000	0.000
568	L	162	GLU	-1	-0.866	-0.922	78.460	-0.002	-0.002	0.000	0.000	0.000	0.000
569	L	163	SER	0	-0.038	-0.031	77.848	0.000	0.000	0.000	0.000	0.000	0.000
570	L	164	VAL	0	0.003	-0.003	77.151	0.001	0.001	0.000	0.000	0.000	0.000
571	L	165	THR	0	-0.019	-0.012	78.077	-0.001	-0.001	0.000	0.000	0.000	0.000
572	L	166	GLU	-1	-0.828	-0.906	74.171	-0.004	-0.004	0.000	0.000	0.000	0.000
573	L	167	GLN	0	-0.014	-0.007	76.464	0.000	0.000	0.000	0.000	0.000	0.000
574	L	168	ASP	-1	-0.773	-0.880	79.312	-0.003	-0.003	0.000	0.000	0.000	0.000
575	L	169	SER	0	-0.091	-0.053	81.638	0.001	0.001	0.000	0.000	0.000	0.000
576	L	170	LYS	1	0.872	0.938	82.637	0.004	0.004	0.000	0.000	0.000	0.000
577	L	171	ASP	-1	-0.754	-0.839	85.404	0.001	0.001	0.000	0.000	0.000	0.000
578	L	172	SER	0	-0.026	-0.007	80.268	0.001	0.001	0.000	0.000	0.000	0.000
579	L	173	THR	0	-0.103	-0.066	80.934	0.001	0.001	0.000	0.000	0.000	0.000
580	L	174	TYR	0	-0.030	-0.033	75.543	0.000	0.000	0.000	0.000	0.000	0.000
581	L	175	SER	0	0.052	0.030	81.744	0.001	0.001	0.000	0.000	0.000	0.000
582	L	176	LEU	0	-0.047	-0.013	79.808	-0.001	-0.001	0.000	0.000	0.000	0.000
583	L	177	SER	0	-0.019	-0.008	82.506	0.000	0.000	0.000	0.000	0.000	0.000
584	L	178	SER	0	0.033	-0.009	82.284	-0.001	-0.001	0.000	0.000	0.000	0.000
585	L	179	THR	0	-0.014	-0.020	83.251	0.000	0.000	0.000	0.000	0.000	0.000
586	L	180	LEU	0	0.005	0.016	83.705	0.000	0.000	0.000	0.000	0.000	0.000
587	L	181	THR	0	-0.018	-0.020	84.530	-0.001	-0.001	0.000	0.000	0.000	0.000
588	L	182	LEU	0	0.009	0.015	85.806	0.000	0.000	0.000	0.000	0.000	0.000
589	L	183	SER	0	0.059	0.029	88.368	0.000	0.000	0.000	0.000	0.000	0.000
590	L	184	LYS	1	0.854	0.898	90.081	0.009	0.009	0.000	0.000	0.000	0.000
591	L	185	ALA	0	0.032	0.011	92.991	0.001	0.001	0.000	0.000	0.000	0.000
592	L	186	ASP	-1	-0.824	-0.916	89.375	-0.006	-0.006	0.000	0.000	0.000	0.000
593	L	187	TYR	0	0.031	0.005	92.235	0.001	0.001	0.000	0.000	0.000	0.000
594	L	188	GLU	-1	-0.859	-0.926	93.843	-0.007	-0.007	0.000	0.000	0.000	0.000
595	L	189	LYS	1	0.801	0.914	90.261	0.006	0.006	0.000	0.000	0.000	0.000
596	L	190	HIS	0	-0.026	0.001	92.383	0.000	0.000	0.000	0.000	0.000	0.000
597	L	191	LYS	1	0.918	0.968	96.056	0.000	0.000	0.000	0.000	0.000	0.000
598	L	192	VAL	0	-0.043	-0.030	95.666	0.000	0.000	0.000	0.000	0.000	0.000
599	L	193	TYR	0	-0.002	0.003	91.745	0.000	0.000	0.000	0.000	0.000	0.000
600	L	194	ALA	0	0.029	-0.009	91.945	0.000	0.000	0.000	0.000	0.000	0.000
601	L	196	GLU	-1	-0.834	-0.910	87.363	0.005	0.005	0.000	0.000	0.000	0.000
602	L	197	VAL	0	0.038	0.016	85.146	0.000	0.000	0.000	0.000	0.000	0.000
603	L	198	THR	0	-0.035	-0.022	82.133	0.001	0.001	0.000	0.000	0.000	0.000
604	L	199	HIS	0	0.041	0.010	81.651	0.000	0.000	0.000	0.000	0.000	0.000
605	L	200	GLN	0	0.046	0.024	79.967	0.000	0.000	0.000	0.000	0.000	0.000
606	L	201	GLY	0	-0.006	-0.010	83.027	0.001	0.001	0.000	0.000	0.000	0.000
607	L	202	LEU	0	-0.072	-0.031	86.286	0.000	0.000	0.000	0.000	0.000	0.000
608	L	203	SER	0	0.027	0.013	87.195	0.000	0.000	0.000	0.000	0.000	0.000
609	L	204	SER	0	-0.005	-0.006	88.941	0.001	0.001	0.000	0.000	0.000	0.000
610	L	205	PRO	0	-0.023	-0.016	86.620	0.000	0.000	0.000	0.000	0.000	0.000
611	L	206	VAL	0	0.018	0.026	88.823	0.000	0.000	0.000	0.000	0.000	0.000
612	L	207	THR	0	0.010	0.004	90.206	-0.001	-0.001	0.000	0.000	0.000	0.000
613	L	208	LYS	1	0.839	0.926	92.126	-0.001	-0.001	0.000	0.000	0.000	0.000
614	L	209	SER	0	0.013	-0.012	93.137	0.000	0.000	0.000	0.000	0.000	0.000
615	L	210	PHE	0	0.048	0.033	94.000	0.000	0.000	0.000	0.000	0.000	0.000
616	L	211	ASN	0	-0.034	-0.032	97.727	0.000	0.000	0.000	0.000	0.000	0.000
617	L	212	ARG	1	0.886	0.938	97.481	0.004	0.004	0.000	0.000	0.000	0.000
618	L	213	GLY	0	-0.011	-0.011	99.831	0.000	0.000	0.000	0.000	0.000	0.000
619	L	214	GLU	-1	-0.903	-0.917	102.255	-0.002	-0.002	0.000	0.000	0.000	0.000
620	L	215	CYS	0	-0.032	-0.007	103.211	0.001	0.001	0.000	0.000	0.000	0.000
621	A	601	NAG	0	0.279	0.230	13.836	0.150	0.150	0.000	0.000	0.000	0.000

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