FMO DATABASE

FMODB ID: 7JVVK

Calculation Name: 6YLA-EHL-Xray131

Preferred Name:

Target Type:

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

ligand 3-letter code: NAG

PDB ID: 6YLA

Chain ID: EHL

ChEMBL ID:

UniProt ID: P0DTC2

Base Structure: X-ray

Registration Date: 2020-06-09

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHLSideSolv
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	Water(s) essential for molecular recognition.
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	658
LigandCharge	None
Software	MIZUHO/ABINIT-MP 4.0(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-13268943.322555
FMO2-HF: Nuclear repulsion	13020302.825672
FMO2-HF: Total energy	-248640.496883
FMO2-MP2: Total energy	-249364.280422

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Antigen and antibody binding energy (frag 1-199 : frag 200-634)

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.
-472.2561	-446.1613	218.6625	-101.5760	-143.1813	-0.2382

Interactive mode: IFIE and PIEDA for fragment #1(E:327:GLU )

Summations of interaction energy for fragment #1(E:327:GLU )

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-3.588	-2.01	-0.008	-0.554	-1.017	0.002

Interaction energy analysis for fragmet #1(E:327:GLU )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.106 / q_NPA : -0.064

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	E	329	GLY	0	0.044	0.051	3.801	3.169	4.707	-0.007	-0.548	-0.984	0.002
4	E	330	PRO	0	-0.016	-0.012	5.140	-0.635	-0.595	-0.001	-0.006	-0.033	0.000
5	E	331	ASN	0	0.001	-0.016	6.890	-1.953	-1.953	0.000	0.000	0.000	0.000
6	E	332	ILE	0	0.020	0.008	9.927	0.643	0.643	0.000	0.000	0.000	0.000
7	E	333	THR	0	0.025	0.013	12.942	-0.278	-0.278	0.000	0.000	0.000	0.000
8	E	334	ASN	0	-0.016	-0.005	16.518	-0.070	-0.070	0.000	0.000	0.000	0.000
9	E	335	LEU	0	0.018	0.007	14.304	0.158	0.158	0.000	0.000	0.000	0.000
10	E	361	CYS	0	-0.056	-0.001	17.757	-0.100	-0.100	0.000	0.000	0.000	0.000
11	E	337	PRO	0	0.043	0.037	20.700	-0.117	-0.117	0.000	0.000	0.000	0.000
12	E	338	PHE	0	0.019	-0.014	20.074	0.024	0.024	0.000	0.000	0.000	0.000
13	E	339	GLY	0	0.043	0.020	22.776	-0.020	-0.020	0.000	0.000	0.000	0.000
14	E	340	GLU	-1	-0.881	-0.932	24.075	-0.294	-0.294	0.000	0.000	0.000	0.000
15	E	341	VAL	0	-0.028	-0.014	26.677	0.044	0.044	0.000	0.000	0.000	0.000
16	E	342	PHE	0	-0.009	-0.018	25.402	0.019	0.019	0.000	0.000	0.000	0.000
17	E	343	ASN	0	-0.026	-0.013	24.640	0.024	0.024	0.000	0.000	0.000	0.000
18	E	344	ALA	0	0.009	0.023	28.608	-0.025	-0.025	0.000	0.000	0.000	0.000
19	E	345	THR	0	0.037	0.000	31.533	0.023	0.023	0.000	0.000	0.000	0.000
20	E	346	ARG	1	0.931	0.967	34.185	0.289	0.289	0.000	0.000	0.000	0.000
21	E	347	PHE	0	0.007	0.017	31.169	0.011	0.011	0.000	0.000	0.000	0.000
22	E	348	ALA	0	0.008	-0.004	36.703	0.005	0.005	0.000	0.000	0.000	0.000
23	E	349	SER	0	0.019	0.004	39.432	-0.003	-0.003	0.000	0.000	0.000	0.000
24	E	350	VAL	0	0.000	0.013	40.486	0.010	0.010	0.000	0.000	0.000	0.000
25	E	351	TYR	0	0.017	0.006	41.903	0.018	0.018	0.000	0.000	0.000	0.000
26	E	352	ALA	0	-0.046	-0.002	43.137	0.014	0.014	0.000	0.000	0.000	0.000
27	E	353	TRP	0	-0.002	0.018	36.760	-0.020	-0.020	0.000	0.000	0.000	0.000
28	E	354	ASN	0	0.009	0.009	35.522	0.036	0.036	0.000	0.000	0.000	0.000
29	E	355	ARG	1	0.851	0.902	33.493	-0.136	-0.136	0.000	0.000	0.000	0.000
30	E	356	LYS	1	0.840	0.920	27.869	0.126	0.126	0.000	0.000	0.000	0.000
31	E	357	ARG	1	0.890	0.940	30.251	-0.242	-0.242	0.000	0.000	0.000	0.000
32	E	358	ILE	0	-0.035	-0.012	23.726	-0.044	-0.044	0.000	0.000	0.000	0.000
33	E	359	SER	0	0.027	-0.012	25.830	0.051	0.051	0.000	0.000	0.000	0.000
34	E	360	ASN	0	-0.005	-0.010	23.683	-0.087	-0.087	0.000	0.000	0.000	0.000
35	E	362	VAL	0	0.035	0.044	14.119	0.090	0.090	0.000	0.000	0.000	0.000
36	E	363	ALA	0	0.031	0.002	17.498	-0.265	-0.265	0.000	0.000	0.000	0.000
37	E	364	ASP	-1	-0.788	-0.887	13.149	0.227	0.227	0.000	0.000	0.000	0.000
38	E	365	TYR	0	0.022	-0.012	15.608	-0.297	-0.297	0.000	0.000	0.000	0.000
39	E	366	SER	0	-0.043	-0.040	13.860	-0.169	-0.169	0.000	0.000	0.000	0.000
40	E	367	VAL	0	0.012	0.005	15.655	-0.170	-0.170	0.000	0.000	0.000	0.000
41	E	368	LEU	0	-0.038	-0.012	17.563	-0.043	-0.043	0.000	0.000	0.000	0.000
42	E	369	TYR	0	0.004	-0.005	15.566	-0.003	-0.003	0.000	0.000	0.000	0.000
43	E	370	ASN	0	-0.019	-0.019	14.674	0.120	0.120	0.000	0.000	0.000	0.000
44	E	371	SER	0	-0.011	0.023	18.698	-0.210	-0.210	0.000	0.000	0.000	0.000
45	E	372	ALA	0	-0.004	-0.006	21.457	0.110	0.110	0.000	0.000	0.000	0.000
46	E	373	SER	0	-0.055	-0.029	23.863	0.024	0.024	0.000	0.000	0.000	0.000
47	E	374	PHE	0	0.011	0.003	23.638	0.039	0.039	0.000	0.000	0.000	0.000
48	E	375	SER	0	-0.030	-0.011	28.286	-0.011	-0.011	0.000	0.000	0.000	0.000
49	E	376	THR	0	-0.044	-0.022	30.908	0.038	0.038	0.000	0.000	0.000	0.000
50	E	377	PHE	0	0.031	-0.003	23.190	-0.013	-0.013	0.000	0.000	0.000	0.000
51	E	378	LYS	1	0.827	0.914	28.219	-0.010	-0.010	0.000	0.000	0.000	0.000
52	E	432	CYS	0	-0.102	-0.019	26.271	0.008	0.008	0.000	0.000	0.000	0.000
53	E	380	TYR	0	-0.002	-0.031	29.123	-0.001	-0.001	0.000	0.000	0.000	0.000
54	E	381	GLY	0	0.080	0.031	30.630	0.011	0.011	0.000	0.000	0.000	0.000
55	E	382	VAL	0	0.006	0.017	24.768	0.073	0.073	0.000	0.000	0.000	0.000
56	E	383	SER	0	0.007	-0.001	22.958	-0.051	-0.051	0.000	0.000	0.000	0.000
57	E	384	PRO	0	0.010	0.000	21.619	0.104	0.104	0.000	0.000	0.000	0.000
58	E	385	THR	0	-0.056	-0.044	18.470	0.089	0.089	0.000	0.000	0.000	0.000
59	E	386	LYS	1	0.836	0.910	17.768	-1.254	-1.254	0.000	0.000	0.000	0.000
60	E	387	LEU	0	0.008	0.024	19.222	0.094	0.094	0.000	0.000	0.000	0.000
61	E	388	ASN	0	-0.050	-0.028	13.660	0.268	0.268	0.000	0.000	0.000	0.000
62	E	389	ASP	-1	-0.912	-0.969	14.288	2.671	2.671	0.000	0.000	0.000	0.000
63	E	390	LEU	0	-0.019	0.007	15.837	-0.005	-0.005	0.000	0.000	0.000	0.000
64	E	525	CYS	0	-0.005	0.010	18.034	-0.017	-0.017	0.000	0.000	0.000	0.000
65	E	392	PHE	0	0.020	-0.005	21.664	-0.042	-0.042	0.000	0.000	0.000	0.000
66	E	393	THR	0	-0.035	-0.023	25.062	0.009	0.009	0.000	0.000	0.000	0.000
67	E	394	ASN	0	-0.039	-0.035	27.492	-0.068	-0.068	0.000	0.000	0.000	0.000
68	E	395	VAL	0	0.010	0.019	24.258	0.024	0.024	0.000	0.000	0.000	0.000
69	E	396	TYR	0	-0.078	-0.051	27.443	-0.066	-0.066	0.000	0.000	0.000	0.000
70	E	397	ALA	0	0.021	0.005	27.765	0.007	0.007	0.000	0.000	0.000	0.000
71	E	398	ASP	-1	-0.710	-0.796	29.835	0.062	0.062	0.000	0.000	0.000	0.000
72	E	399	SER	0	-0.001	0.010	32.020	-0.020	-0.020	0.000	0.000	0.000	0.000
73	E	400	PHE	0	-0.027	-0.021	33.932	0.002	0.002	0.000	0.000	0.000	0.000
74	E	401	VAL	0	0.009	0.007	36.318	-0.018	-0.018	0.000	0.000	0.000	0.000
75	E	402	ILE	0	-0.010	0.010	38.815	0.020	0.020	0.000	0.000	0.000	0.000
76	E	403	ARG	1	0.835	0.910	40.666	0.067	0.067	0.000	0.000	0.000	0.000
77	E	404	GLY	0	0.023	0.016	39.866	0.015	0.015	0.000	0.000	0.000	0.000
78	E	405	ASP	-1	-0.841	-0.923	40.905	-0.070	-0.070	0.000	0.000	0.000	0.000
79	E	406	GLU	-1	-0.833	-0.906	42.556	-0.055	-0.055	0.000	0.000	0.000	0.000
80	E	407	VAL	0	0.028	0.017	35.833	0.014	0.014	0.000	0.000	0.000	0.000
81	E	408	ARG	1	0.869	0.937	38.047	0.057	0.057	0.000	0.000	0.000	0.000
82	E	409	GLN	0	0.056	0.014	39.795	0.021	0.021	0.000	0.000	0.000	0.000
83	E	410	ILE	0	-0.065	-0.006	35.840	0.014	0.014	0.000	0.000	0.000	0.000
84	E	411	ALA	0	0.043	0.002	36.429	0.007	0.007	0.000	0.000	0.000	0.000
85	E	412	PRO	0	-0.027	0.010	36.434	-0.012	-0.012	0.000	0.000	0.000	0.000
86	E	413	GLY	0	0.030	0.006	39.396	-0.004	-0.004	0.000	0.000	0.000	0.000
87	E	414	GLN	0	-0.116	-0.031	41.099	-0.025	-0.025	0.000	0.000	0.000	0.000
88	E	415	THR	0	0.044	0.013	43.912	0.007	0.007	0.000	0.000	0.000	0.000
89	E	416	GLY	0	-0.046	-0.030	46.777	-0.010	-0.010	0.000	0.000	0.000	0.000
90	E	417	LYS	1	0.897	0.951	48.281	0.014	0.014	0.000	0.000	0.000	0.000
91	E	418	ILE	0	0.005	0.006	41.976	0.002	0.002	0.000	0.000	0.000	0.000
92	E	419	ALA	0	0.036	0.030	43.437	0.006	0.006	0.000	0.000	0.000	0.000
93	E	420	ASP	-1	-0.795	-0.888	44.410	0.074	0.074	0.000	0.000	0.000	0.000
94	E	421	TYR	0	-0.054	-0.039	47.643	0.002	0.002	0.000	0.000	0.000	0.000
95	E	422	ASN	0	-0.050	-0.025	44.068	-0.020	-0.020	0.000	0.000	0.000	0.000
96	E	423	TYR	0	0.015	-0.041	35.428	0.003	0.003	0.000	0.000	0.000	0.000
97	E	424	LYS	1	0.926	0.989	41.729	-0.142	-0.142	0.000	0.000	0.000	0.000
98	E	425	LEU	0	0.011	0.011	35.581	0.008	0.008	0.000	0.000	0.000	0.000
99	E	426	PRO	0	-0.018	-0.010	37.293	-0.009	-0.009	0.000	0.000	0.000	0.000
100	E	427	ASP	-1	-0.849	-0.952	38.728	0.200	0.200	0.000	0.000	0.000	0.000
101	E	428	ASP	-1	-0.912	-0.958	37.249	0.360	0.360	0.000	0.000	0.000	0.000
102	E	429	PHE	0	-0.046	-0.024	31.806	0.028	0.028	0.000	0.000	0.000	0.000
103	E	430	THR	0	0.016	0.004	30.132	0.006	0.006	0.000	0.000	0.000	0.000
104	E	431	GLY	0	0.030	-0.006	28.372	0.003	0.003	0.000	0.000	0.000	0.000
105	E	433	VAL	0	0.028	0.009	28.887	-0.024	-0.024	0.000	0.000	0.000	0.000
106	E	434	ILE	0	-0.035	-0.011	25.574	-0.012	-0.012	0.000	0.000	0.000	0.000
107	E	435	ALA	0	0.023	0.015	29.721	-0.009	-0.009	0.000	0.000	0.000	0.000
108	E	436	TRP	0	0.015	0.001	29.658	-0.001	-0.001	0.000	0.000	0.000	0.000
109	E	437	ASN	0	-0.010	-0.005	32.455	-0.005	-0.005	0.000	0.000	0.000	0.000
110	E	438	SER	0	0.008	-0.017	34.224	-0.031	-0.031	0.000	0.000	0.000	0.000
111	E	439	ASN	0	0.028	0.024	36.315	0.022	0.022	0.000	0.000	0.000	0.000
112	E	440	ASN	0	-0.003	-0.004	33.513	0.032	0.032	0.000	0.000	0.000	0.000
113	E	441	LEU	0	-0.021	-0.004	33.197	-0.014	-0.014	0.000	0.000	0.000	0.000
114	E	442	ASP	-1	-0.779	-0.823	37.811	-0.292	-0.292	0.000	0.000	0.000	0.000
115	E	443	SER	0	0.047	0.003	40.622	0.036	0.036	0.000	0.000	0.000	0.000
116	E	444	LYS	1	0.913	0.964	43.399	0.234	0.234	0.000	0.000	0.000	0.000
117	E	445	VAL	0	0.061	0.022	46.190	0.013	0.013	0.000	0.000	0.000	0.000
118	E	446	GLY	0	0.007	0.011	48.901	0.010	0.010	0.000	0.000	0.000	0.000
119	E	447	GLY	0	-0.014	-0.010	48.906	0.014	0.014	0.000	0.000	0.000	0.000
120	E	448	ASN	0	-0.115	-0.070	43.112	0.006	0.006	0.000	0.000	0.000	0.000
121	E	449	TYR	0	0.045	0.025	47.208	0.010	0.010	0.000	0.000	0.000	0.000
122	E	450	ASN	0	-0.062	-0.041	44.880	-0.010	-0.010	0.000	0.000	0.000	0.000
123	E	451	TYR	0	-0.049	-0.036	39.094	0.011	0.011	0.000	0.000	0.000	0.000
124	E	452	LEU	0	0.023	0.005	44.905	0.004	0.004	0.000	0.000	0.000	0.000
125	E	453	TYR	0	-0.013	-0.017	45.530	0.007	0.007	0.000	0.000	0.000	0.000
126	E	454	ARG	1	0.824	0.898	47.429	0.008	0.008	0.000	0.000	0.000	0.000
127	E	455	LEU	0	-0.015	0.001	49.817	0.006	0.006	0.000	0.000	0.000	0.000
128	E	456	PHE	0	0.018	-0.007	52.642	0.007	0.007	0.000	0.000	0.000	0.000
129	E	457	ARG	1	0.856	0.903	50.032	-0.054	-0.054	0.000	0.000	0.000	0.000
130	E	458	LYS	1	0.911	0.967	54.331	-0.023	-0.023	0.000	0.000	0.000	0.000
131	E	459	SER	0	0.012	0.007	53.593	0.004	0.004	0.000	0.000	0.000	0.000
132	E	460	ASN	0	0.000	-0.009	49.279	-0.012	-0.012	0.000	0.000	0.000	0.000
133	E	461	LEU	0	-0.077	-0.011	44.898	0.005	0.005	0.000	0.000	0.000	0.000
134	E	462	LYS	1	0.831	0.893	45.508	-0.102	-0.102	0.000	0.000	0.000	0.000
135	E	463	PRO	0	0.007	-0.022	40.646	-0.012	-0.012	0.000	0.000	0.000	0.000
136	E	464	PHE	0	-0.022	-0.009	34.865	0.011	0.011	0.000	0.000	0.000	0.000
137	E	465	GLU	-1	-0.783	-0.855	40.175	0.092	0.092	0.000	0.000	0.000	0.000
138	E	466	ARG	1	0.877	0.918	40.379	0.014	0.014	0.000	0.000	0.000	0.000
139	E	467	ASP	-1	-0.764	-0.845	44.037	0.023	0.023	0.000	0.000	0.000	0.000
140	E	468	ILE	0	0.019	-0.007	45.355	-0.012	-0.012	0.000	0.000	0.000	0.000
141	E	469	SER	0	-0.037	-0.014	48.325	-0.011	-0.011	0.000	0.000	0.000	0.000
142	E	470	THR	0	0.009	-0.008	52.096	-0.003	-0.003	0.000	0.000	0.000	0.000
143	E	471	GLU	-1	-0.903	-0.945	54.406	-0.014	-0.014	0.000	0.000	0.000	0.000
144	E	472	ILE	0	-0.025	-0.012	57.270	-0.001	-0.001	0.000	0.000	0.000	0.000
145	E	473	TYR	0	-0.029	-0.017	57.552	0.010	0.010	0.000	0.000	0.000	0.000
146	E	474	GLN	0	0.015	0.002	59.686	-0.001	-0.001	0.000	0.000	0.000	0.000
147	E	475	ALA	0	-0.019	-0.016	62.155	0.005	0.005	0.000	0.000	0.000	0.000
148	E	476	GLY	0	0.015	0.009	63.511	0.002	0.002	0.000	0.000	0.000	0.000
149	E	477	SER	0	0.004	-0.010	67.195	0.002	0.002	0.000	0.000	0.000	0.000
150	E	478	THR	0	-0.011	0.007	69.659	0.002	0.002	0.000	0.000	0.000	0.000
151	E	479	PRO	0	0.006	-0.004	67.431	-0.001	-0.001	0.000	0.000	0.000	0.000
152	E	488	CYS	0	-0.021	0.010	63.642	0.005	0.005	0.000	0.000	0.000	0.000
153	E	481	ASN	0	-0.028	-0.020	66.087	0.006	0.006	0.000	0.000	0.000	0.000
154	E	482	GLY	0	0.040	0.025	62.927	-0.003	-0.003	0.000	0.000	0.000	0.000
155	E	483	VAL	0	-0.032	-0.007	63.683	-0.005	-0.005	0.000	0.000	0.000	0.000
156	E	484	GLU	-1	-0.859	-0.942	60.683	-0.052	-0.052	0.000	0.000	0.000	0.000
157	E	485	GLY	0	0.009	-0.012	64.354	-0.003	-0.003	0.000	0.000	0.000	0.000
158	E	486	PHE	0	-0.006	0.000	66.013	0.001	0.001	0.000	0.000	0.000	0.000
159	E	487	ASN	0	-0.029	-0.018	65.415	0.001	0.001	0.000	0.000	0.000	0.000
160	E	489	TYR	0	0.046	0.024	59.318	-0.004	-0.004	0.000	0.000	0.000	0.000
161	E	490	PHE	0	0.074	0.039	54.017	0.007	0.007	0.000	0.000	0.000	0.000
162	E	491	PRO	0	-0.060	-0.015	53.738	-0.002	-0.002	0.000	0.000	0.000	0.000
163	E	492	LEU	0	-0.031	-0.010	49.573	0.003	0.003	0.000	0.000	0.000	0.000
164	E	493	GLN	0	0.047	0.024	51.439	-0.012	-0.012	0.000	0.000	0.000	0.000
165	E	494	SER	0	0.030	0.008	49.428	-0.004	-0.004	0.000	0.000	0.000	0.000
166	E	495	TYR	0	-0.065	-0.053	44.197	0.003	0.003	0.000	0.000	0.000	0.000
167	E	496	GLY	0	0.034	0.012	48.227	-0.006	-0.006	0.000	0.000	0.000	0.000
168	E	497	PHE	0	0.000	-0.002	43.189	-0.004	-0.004	0.000	0.000	0.000	0.000
169	E	498	GLN	0	0.024	0.015	46.385	-0.018	-0.018	0.000	0.000	0.000	0.000
170	E	499	PRO	0	0.014	0.002	43.914	0.003	0.003	0.000	0.000	0.000	0.000
171	E	500	THR	0	-0.001	0.001	44.740	-0.008	-0.008	0.000	0.000	0.000	0.000
172	E	501	ASN	0	-0.004	0.021	45.722	0.011	0.011	0.000	0.000	0.000	0.000
173	E	502	GLY	0	0.084	0.043	45.320	-0.016	-0.016	0.000	0.000	0.000	0.000
174	E	503	VAL	0	0.024	-0.004	40.291	0.003	0.003	0.000	0.000	0.000	0.000
175	E	504	GLY	0	0.002	0.011	42.247	0.016	0.016	0.000	0.000	0.000	0.000
176	E	505	TYR	0	0.012	-0.021	43.538	0.015	0.015	0.000	0.000	0.000	0.000
177	E	506	GLN	0	0.008	0.027	40.629	-0.017	-0.017	0.000	0.000	0.000	0.000
178	E	507	PRO	0	-0.004	0.003	39.815	0.019	0.019	0.000	0.000	0.000	0.000
179	E	508	TYR	0	-0.015	-0.014	35.356	-0.025	-0.025	0.000	0.000	0.000	0.000
180	E	509	ARG	1	0.769	0.882	33.334	0.373	0.373	0.000	0.000	0.000	0.000
181	E	510	VAL	0	-0.007	-0.015	33.097	-0.007	-0.007	0.000	0.000	0.000	0.000
182	E	511	VAL	0	0.005	-0.014	28.151	-0.003	-0.003	0.000	0.000	0.000	0.000
183	E	512	VAL	0	-0.023	-0.014	30.461	0.016	0.016	0.000	0.000	0.000	0.000
184	E	513	LEU	0	-0.011	0.010	24.511	0.000	0.000	0.000	0.000	0.000	0.000
185	E	514	SER	0	-0.005	-0.006	28.638	0.033	0.033	0.000	0.000	0.000	0.000
186	E	515	PHE	0	0.008	-0.004	23.417	-0.014	-0.014	0.000	0.000	0.000	0.000
187	E	516	GLU	-1	-0.783	-0.842	28.640	0.397	0.397	0.000	0.000	0.000	0.000
188	E	517	LEU	0	0.005	-0.018	26.635	0.044	0.044	0.000	0.000	0.000	0.000
189	E	518	LEU	0	0.001	0.011	30.016	-0.018	-0.018	0.000	0.000	0.000	0.000
190	E	519	HIS	0	0.015	0.004	31.157	0.074	0.074	0.000	0.000	0.000	0.000
191	E	520	ALA	0	-0.010	-0.007	31.339	-0.035	-0.035	0.000	0.000	0.000	0.000
192	E	521	PRO	0	0.010	-0.004	27.785	0.052	0.052	0.000	0.000	0.000	0.000
193	E	522	ALA	0	0.015	0.011	24.094	-0.059	-0.059	0.000	0.000	0.000	0.000
194	E	523	THR	0	-0.040	-0.015	23.785	0.014	0.014	0.000	0.000	0.000	0.000
195	E	524	VAL	0	-0.006	0.006	21.577	-0.035	-0.035	0.000	0.000	0.000	0.000
196	E	526	GLY	0	0.033	0.017	15.933	-0.222	-0.222	0.000	0.000	0.000	0.000
197	E	527	PRO	0	-0.022	-0.019	10.541	0.140	0.140	0.000	0.000	0.000	0.000
198	E	528	LYS	1	0.879	0.961	8.053	-5.319	-5.319	0.000	0.000	0.000	0.000
199	E	529	LYS	0	0.089	0.044	11.769	-0.514	-0.514	0.000	0.000	0.000	0.000
200	H	0	THR	1	0.826	0.887	14.360	-1.352	-1.352	0.000	0.000	0.000	0.000
201	H	1	GLN	0	0.107	0.057	15.597	-0.343	-0.343	0.000	0.000	0.000	0.000
202	H	2	MET	0	0.012	0.033	17.441	-0.246	-0.246	0.000	0.000	0.000	0.000
203	H	3	GLN	0	0.031	0.051	20.916	0.117	0.117	0.000	0.000	0.000	0.000
204	H	4	LEU	0	0.025	0.019	23.201	-0.118	-0.118	0.000	0.000	0.000	0.000
205	H	5	VAL	0	-0.003	0.004	26.479	0.047	0.047	0.000	0.000	0.000	0.000
206	H	6	GLN	0	0.031	-0.017	28.976	0.016	0.016	0.000	0.000	0.000	0.000
207	H	7	SER	0	-0.036	-0.015	32.737	-0.005	-0.005	0.000	0.000	0.000	0.000
208	H	8	GLY	0	0.043	0.021	35.782	0.028	0.028	0.000	0.000	0.000	0.000
209	H	9	THR	0	-0.019	-0.008	37.768	0.005	0.005	0.000	0.000	0.000	0.000
210	H	10	GLU	-1	-0.844	-0.890	40.550	0.052	0.052	0.000	0.000	0.000	0.000
211	H	11	VAL	0	-0.020	-0.017	43.799	0.016	0.016	0.000	0.000	0.000	0.000
212	H	12	LYS	1	0.859	0.925	46.604	-0.066	-0.066	0.000	0.000	0.000	0.000
213	H	13	LYS	1	0.853	0.920	49.710	-0.073	-0.073	0.000	0.000	0.000	0.000
214	H	14	PRO	0	0.002	-0.014	52.975	-0.001	-0.001	0.000	0.000	0.000	0.000
215	H	15	GLY	0	0.021	0.025	54.088	-0.007	-0.007	0.000	0.000	0.000	0.000
216	H	16	GLU	-1	-0.837	-0.905	51.259	0.046	0.046	0.000	0.000	0.000	0.000
217	H	17	SER	0	0.002	0.005	48.975	0.009	0.009	0.000	0.000	0.000	0.000
218	H	18	LEU	0	-0.011	-0.015	43.275	-0.002	-0.002	0.000	0.000	0.000	0.000
219	H	19	LYS	1	0.880	0.941	40.403	0.015	0.015	0.000	0.000	0.000	0.000
220	H	20	ILE	0	0.017	0.038	38.503	-0.010	-0.010	0.000	0.000	0.000	0.000
221	H	21	SER	0	0.002	-0.016	34.977	-0.007	-0.007	0.000	0.000	0.000	0.000
222	H	96	CYS	0	-0.052	-0.008	31.288	0.026	0.026	0.000	0.000	0.000	0.000
223	H	23	LYS	1	0.881	0.955	27.540	0.184	0.184	0.000	0.000	0.000	0.000
224	H	24	GLY	0	0.015	0.004	26.148	0.055	0.055	0.000	0.000	0.000	0.000
225	H	25	SER	0	-0.084	-0.055	22.300	-0.143	-0.143	0.000	0.000	0.000	0.000
226	H	26	GLY	0	0.069	0.004	19.425	0.129	0.129	0.000	0.000	0.000	0.000
227	H	27	TYR	0	0.009	0.004	16.238	-0.081	-0.081	0.000	0.000	0.000	0.000
228	H	28	GLY	0	0.090	0.045	19.218	0.159	0.159	0.000	0.000	0.000	0.000
229	H	29	PHE	0	0.016	-0.005	20.879	0.109	0.109	0.000	0.000	0.000	0.000
230	H	30	ILE	0	0.011	0.019	23.760	0.048	0.048	0.000	0.000	0.000	0.000
231	H	31	THR	0	0.017	0.013	23.188	0.065	0.065	0.000	0.000	0.000	0.000
232	H	32	TYR	0	-0.048	-0.021	21.543	0.066	0.066	0.000	0.000	0.000	0.000
233	H	33	TRP	0	-0.028	0.004	26.837	-0.070	-0.070	0.000	0.000	0.000	0.000
234	H	34	ILE	0	0.016	-0.002	28.376	0.051	0.051	0.000	0.000	0.000	0.000
235	H	35	GLY	0	-0.013	-0.016	31.642	-0.031	-0.031	0.000	0.000	0.000	0.000
236	H	36	TRP	0	-0.014	-0.004	34.046	0.019	0.019	0.000	0.000	0.000	0.000
237	H	37	VAL	0	-0.001	-0.007	35.448	0.001	0.001	0.000	0.000	0.000	0.000
238	H	38	ARG	1	0.814	0.870	37.933	-0.243	-0.243	0.000	0.000	0.000	0.000
239	H	39	GLN	0	0.023	0.021	38.407	0.024	0.024	0.000	0.000	0.000	0.000
240	H	40	MET	0	-0.004	-0.005	41.355	-0.009	-0.009	0.000	0.000	0.000	0.000
241	H	41	PRO	0	0.022	-0.005	44.024	0.023	0.023	0.000	0.000	0.000	0.000
242	H	42	GLY	0	0.018	0.015	44.029	-0.010	-0.010	0.000	0.000	0.000	0.000
243	H	43	LYS	1	0.887	0.954	44.409	-0.286	-0.286	0.000	0.000	0.000	0.000
244	H	44	GLY	0	0.068	0.039	41.657	0.018	0.018	0.000	0.000	0.000	0.000
245	H	45	LEU	0	-0.039	-0.014	35.880	-0.017	-0.017	0.000	0.000	0.000	0.000
246	H	46	GLU	-1	-0.756	-0.854	40.076	0.271	0.271	0.000	0.000	0.000	0.000
247	H	47	TRP	0	0.019	0.007	35.845	-0.014	-0.014	0.000	0.000	0.000	0.000
248	H	48	MET	0	-0.050	-0.008	39.630	-0.016	-0.016	0.000	0.000	0.000	0.000
249	H	49	GLY	0	0.049	0.002	39.162	-0.021	-0.021	0.000	0.000	0.000	0.000
250	H	50	ILE	0	-0.049	-0.022	32.658	0.027	0.027	0.000	0.000	0.000	0.000
251	H	51	ILE	0	-0.003	0.003	34.537	-0.025	-0.025	0.000	0.000	0.000	0.000
252	H	52	TYR	0	0.001	0.008	28.932	0.000	0.000	0.000	0.000	0.000	0.000
253	H	53	PRO	0	0.027	-0.004	30.653	-0.035	-0.035	0.000	0.000	0.000	0.000
254	H	54	GLY	0	0.029	0.017	31.797	-0.040	-0.040	0.000	0.000	0.000	0.000
255	H	55	ASP	-1	-0.855	-0.926	32.376	-0.024	-0.024	0.000	0.000	0.000	0.000
256	H	56	SER	0	-0.033	-0.012	35.562	-0.001	-0.001	0.000	0.000	0.000	0.000
257	H	57	GLU	-1	-0.719	-0.803	36.852	0.142	0.142	0.000	0.000	0.000	0.000
258	H	58	THR	0	-0.034	-0.030	37.426	0.017	0.017	0.000	0.000	0.000	0.000
259	H	59	ARG	1	0.803	0.904	37.365	-0.215	-0.215	0.000	0.000	0.000	0.000
260	H	60	TYR	0	0.035	0.013	40.468	0.010	0.010	0.000	0.000	0.000	0.000
261	H	61	SER	0	0.023	0.025	42.873	0.003	0.003	0.000	0.000	0.000	0.000
262	H	62	PRO	0	0.042	0.004	44.289	-0.016	-0.016	0.000	0.000	0.000	0.000
263	H	63	SER	0	-0.030	-0.008	46.857	-0.009	-0.009	0.000	0.000	0.000	0.000
264	H	64	PHE	0	-0.005	-0.017	44.542	-0.006	-0.006	0.000	0.000	0.000	0.000
265	H	65	GLN	0	0.031	0.028	46.953	-0.006	-0.006	0.000	0.000	0.000	0.000
266	H	66	GLY	0	-0.012	-0.006	48.039	-0.003	-0.003	0.000	0.000	0.000	0.000
267	H	67	GLN	0	-0.035	-0.005	48.320	-0.011	-0.011	0.000	0.000	0.000	0.000
268	H	68	VAL	0	-0.022	-0.007	43.553	-0.003	-0.003	0.000	0.000	0.000	0.000
269	H	69	THR	0	-0.047	-0.025	43.805	-0.008	-0.008	0.000	0.000	0.000	0.000
270	H	70	ILE	0	0.004	0.000	38.046	-0.003	-0.003	0.000	0.000	0.000	0.000
271	H	71	SER	0	0.013	0.013	39.540	-0.016	-0.016	0.000	0.000	0.000	0.000
272	H	72	ALA	0	0.010	-0.014	34.371	0.022	0.022	0.000	0.000	0.000	0.000
273	H	73	ASP	-1	-0.827	-0.882	34.634	-0.196	-0.196	0.000	0.000	0.000	0.000
274	H	74	LYS	1	0.880	0.926	31.383	0.173	0.173	0.000	0.000	0.000	0.000
275	H	75	SER	0	-0.070	-0.045	30.337	-0.036	-0.036	0.000	0.000	0.000	0.000
276	H	76	ILE	0	-0.010	0.000	29.728	-0.043	-0.043	0.000	0.000	0.000	0.000
277	H	77	ASN	0	-0.007	0.002	24.882	0.013	0.013	0.000	0.000	0.000	0.000
278	H	78	THR	0	-0.025	-0.002	29.082	0.054	0.054	0.000	0.000	0.000	0.000
279	H	79	ALA	0	0.028	0.021	32.004	-0.016	-0.016	0.000	0.000	0.000	0.000
280	H	80	TYR	0	-0.024	-0.044	34.257	0.011	0.011	0.000	0.000	0.000	0.000
281	H	81	LEU	0	0.018	0.022	37.693	0.010	0.010	0.000	0.000	0.000	0.000
282	H	82	GLN	0	0.009	0.003	40.282	-0.016	-0.016	0.000	0.000	0.000	0.000
283	H	83	TRP	0	0.058	0.025	42.373	0.004	0.004	0.000	0.000	0.000	0.000
284	H	84	SER	0	-0.009	-0.015	47.326	-0.009	-0.009	0.000	0.000	0.000	0.000
285	H	85	SER	0	0.023	0.005	50.530	-0.006	-0.006	0.000	0.000	0.000	0.000
286	H	86	LEU	0	-0.047	0.002	47.271	0.011	0.011	0.000	0.000	0.000	0.000
287	H	87	LYS	1	0.942	0.951	51.094	-0.137	-0.137	0.000	0.000	0.000	0.000
288	H	88	ALA	0	0.092	0.031	51.636	0.005	0.005	0.000	0.000	0.000	0.000
289	H	89	SER	0	-0.051	-0.033	51.511	0.006	0.006	0.000	0.000	0.000	0.000
290	H	90	ASP	-1	-0.783	-0.847	47.673	0.159	0.159	0.000	0.000	0.000	0.000
291	H	91	THR	0	-0.010	0.020	46.560	0.002	0.002	0.000	0.000	0.000	0.000
292	H	92	ALA	0	-0.009	-0.004	43.455	0.013	0.013	0.000	0.000	0.000	0.000
293	H	93	ILE	0	-0.029	0.006	36.724	-0.021	-0.021	0.000	0.000	0.000	0.000
294	H	94	TYR	0	-0.009	-0.038	38.729	0.013	0.013	0.000	0.000	0.000	0.000
295	H	95	TYR	0	0.026	0.021	33.376	-0.002	-0.002	0.000	0.000	0.000	0.000
296	H	97	ALA	0	0.041	0.006	30.002	0.038	0.038	0.000	0.000	0.000	0.000
297	H	98	GLY	0	0.008	0.003	27.664	-0.066	-0.066	0.000	0.000	0.000	0.000
298	H	99	GLY	0	0.064	0.017	25.779	0.086	0.086	0.000	0.000	0.000	0.000
299	H	100	SER	0	-0.038	0.008	23.200	-0.046	-0.046	0.000	0.000	0.000	0.000
300	H	101	GLY	0	0.071	0.049	25.279	0.072	0.072	0.000	0.000	0.000	0.000
301	H	102	ILE	0	-0.052	-0.016	28.349	0.014	0.014	0.000	0.000	0.000	0.000
302	H	103	SER	0	0.013	0.002	31.566	0.000	0.000	0.000	0.000	0.000	0.000
303	H	104	THR	0	-0.035	-0.028	26.397	0.055	0.055	0.000	0.000	0.000	0.000
304	H	105	PRO	0	0.015	0.002	26.641	-0.047	-0.047	0.000	0.000	0.000	0.000
305	H	106	MET	0	-0.014	0.003	27.406	-0.008	-0.008	0.000	0.000	0.000	0.000
306	H	107	ASP	-1	-0.823	-0.914	22.536	0.986	0.986	0.000	0.000	0.000	0.000
307	H	108	VAL	0	-0.058	-0.008	23.684	0.085	0.085	0.000	0.000	0.000	0.000
308	H	109	TRP	0	0.007	-0.020	25.622	-0.125	-0.125	0.000	0.000	0.000	0.000
309	H	110	GLY	0	0.038	0.032	27.437	0.025	0.025	0.000	0.000	0.000	0.000
310	H	111	GLN	0	-0.063	-0.043	29.720	0.051	0.051	0.000	0.000	0.000	0.000
311	H	112	GLY	0	0.007	0.008	31.306	-0.004	-0.004	0.000	0.000	0.000	0.000
312	H	113	THR	0	-0.019	-0.008	34.709	-0.011	-0.011	0.000	0.000	0.000	0.000
313	H	114	THR	0	-0.026	-0.012	37.634	0.005	0.005	0.000	0.000	0.000	0.000
314	H	115	VAL	0	0.030	0.012	40.799	-0.021	-0.021	0.000	0.000	0.000	0.000
315	H	116	THR	0	-0.001	-0.009	43.986	0.016	0.016	0.000	0.000	0.000	0.000
316	H	117	VAL	0	-0.025	0.004	47.369	-0.015	-0.015	0.000	0.000	0.000	0.000
317	H	118	ALA	0	0.046	0.014	50.552	0.002	0.002	0.000	0.000	0.000	0.000
318	H	119	SER	0	-0.012	0.003	52.308	-0.007	-0.007	0.000	0.000	0.000	0.000
319	H	120	THR	0	-0.030	-0.015	50.251	0.007	0.007	0.000	0.000	0.000	0.000
320	H	121	LYS	1	0.852	0.922	53.145	-0.138	-0.138	0.000	0.000	0.000	0.000
321	H	122	GLY	0	0.053	0.032	53.263	0.010	0.010	0.000	0.000	0.000	0.000
322	H	123	PRO	0	-0.010	0.008	51.625	-0.003	-0.003	0.000	0.000	0.000	0.000
323	H	124	SER	0	-0.009	-0.002	54.849	-0.008	-0.008	0.000	0.000	0.000	0.000
324	H	125	VAL	0	-0.002	0.000	53.589	0.009	0.009	0.000	0.000	0.000	0.000
325	H	126	PHE	0	0.020	-0.001	56.529	-0.010	-0.010	0.000	0.000	0.000	0.000
326	H	127	PRO	0	0.016	0.014	57.572	0.011	0.011	0.000	0.000	0.000	0.000
327	H	128	LEU	0	-0.028	-0.012	55.900	-0.004	-0.004	0.000	0.000	0.000	0.000
328	H	129	ALA	0	0.027	0.012	58.381	0.008	0.008	0.000	0.000	0.000	0.000
329	H	130	PRO	0	0.013	0.010	59.150	0.003	0.003	0.000	0.000	0.000	0.000
330	H	131	SER	0	0.015	0.006	60.935	-0.006	-0.006	0.000	0.000	0.000	0.000
331	H	132	SER	0	0.045	0.010	63.479	0.008	0.008	0.000	0.000	0.000	0.000
332	H	133	LYS	1	0.864	0.949	60.923	-0.217	-0.217	0.000	0.000	0.000	0.000
333	H	134	SER	0	0.007	-0.001	66.815	0.000	0.000	0.000	0.000	0.000	0.000
334	H	135	THR	0	0.034	0.013	66.224	-0.004	-0.004	0.000	0.000	0.000	0.000
335	H	136	SER	0	0.012	0.000	61.883	0.007	0.007	0.000	0.000	0.000	0.000
336	H	137	GLY	0	0.002	0.006	62.680	0.001	0.001	0.000	0.000	0.000	0.000
337	H	138	GLY	0	0.041	0.024	59.038	0.006	0.006	0.000	0.000	0.000	0.000
338	H	139	THR	0	-0.032	-0.005	53.961	-0.006	-0.006	0.000	0.000	0.000	0.000
339	H	140	ALA	0	-0.035	-0.013	56.937	-0.004	-0.004	0.000	0.000	0.000	0.000
340	H	141	ALA	0	0.025	0.015	55.232	0.008	0.008	0.000	0.000	0.000	0.000
341	H	142	LEU	0	0.005	0.013	53.842	-0.014	-0.014	0.000	0.000	0.000	0.000
342	H	143	GLY	0	0.054	0.011	53.552	0.016	0.016	0.000	0.000	0.000	0.000
343	H	200	CYS	0	-0.100	-0.005	50.183	-0.005	-0.005	0.000	0.000	0.000	0.000
344	H	145	LEU	0	0.008	0.011	53.779	0.011	0.011	0.000	0.000	0.000	0.000
345	H	146	VAL	0	-0.011	-0.008	51.001	-0.012	-0.012	0.000	0.000	0.000	0.000
346	H	147	LYS	1	0.857	0.895	53.923	-0.153	-0.153	0.000	0.000	0.000	0.000
347	H	148	ASP	-1	-0.810	-0.887	56.290	0.145	0.145	0.000	0.000	0.000	0.000
348	H	149	TYR	0	-0.012	-0.018	48.654	-0.013	-0.013	0.000	0.000	0.000	0.000
349	H	150	PHE	0	0.039	0.039	51.033	0.011	0.011	0.000	0.000	0.000	0.000
350	H	151	PRO	0	0.000	-0.006	47.188	-0.015	-0.015	0.000	0.000	0.000	0.000
351	H	152	GLU	-1	-0.785	-0.875	45.147	0.267	0.267	0.000	0.000	0.000	0.000
352	H	153	PRO	0	-0.043	-0.026	41.694	-0.009	-0.009	0.000	0.000	0.000	0.000
353	H	154	VAL	0	0.019	-0.004	44.962	-0.020	-0.020	0.000	0.000	0.000	0.000
354	H	155	THR	0	-0.053	-0.016	41.301	0.017	0.017	0.000	0.000	0.000	0.000
355	H	156	VAL	0	0.018	-0.004	44.349	-0.020	-0.020	0.000	0.000	0.000	0.000
356	H	157	SER	0	-0.047	-0.008	43.451	0.021	0.021	0.000	0.000	0.000	0.000
357	H	158	TRP	0	0.076	0.033	45.425	-0.025	-0.025	0.000	0.000	0.000	0.000
358	H	159	ASN	0	-0.017	-0.027	46.436	0.006	0.006	0.000	0.000	0.000	0.000
359	H	160	SER	0	-0.008	-0.007	44.751	-0.004	-0.004	0.000	0.000	0.000	0.000
360	H	161	GLY	0	-0.008	0.001	42.466	0.003	0.003	0.000	0.000	0.000	0.000
361	H	162	ALA	0	-0.045	-0.008	42.157	0.022	0.022	0.000	0.000	0.000	0.000
362	H	163	LEU	0	-0.021	-0.016	44.409	0.002	0.002	0.000	0.000	0.000	0.000
363	H	164	THR	0	0.023	0.002	40.088	-0.005	-0.005	0.000	0.000	0.000	0.000
364	H	165	SER	0	-0.036	-0.015	43.083	0.020	0.020	0.000	0.000	0.000	0.000
365	H	166	GLY	0	0.056	0.029	44.194	-0.019	-0.019	0.000	0.000	0.000	0.000
366	H	167	VAL	0	-0.025	-0.014	44.787	-0.022	-0.022	0.000	0.000	0.000	0.000
367	H	168	HIS	0	-0.015	-0.005	45.141	0.022	0.022	0.000	0.000	0.000	0.000
368	H	169	THR	0	0.011	0.000	45.027	-0.028	-0.028	0.000	0.000	0.000	0.000
369	H	170	PHE	0	-0.049	-0.003	45.903	0.018	0.018	0.000	0.000	0.000	0.000
370	H	171	PRO	0	0.008	0.004	45.089	-0.010	-0.010	0.000	0.000	0.000	0.000
371	H	172	ALA	0	0.023	0.037	47.143	-0.012	-0.012	0.000	0.000	0.000	0.000
372	H	173	VAL	0	-0.014	-0.002	49.510	0.009	0.009	0.000	0.000	0.000	0.000
373	H	174	LEU	0	-0.045	-0.023	52.273	-0.010	-0.010	0.000	0.000	0.000	0.000
374	H	175	GLN	0	0.011	0.005	54.056	-0.002	-0.002	0.000	0.000	0.000	0.000
375	H	176	SER	0	0.018	0.000	57.706	-0.001	-0.001	0.000	0.000	0.000	0.000
376	H	177	SER	0	-0.006	-0.003	60.065	-0.003	-0.003	0.000	0.000	0.000	0.000
377	H	178	GLY	0	0.009	0.010	56.832	-0.007	-0.007	0.000	0.000	0.000	0.000
378	H	179	LEU	0	-0.056	-0.017	55.204	0.002	0.002	0.000	0.000	0.000	0.000
379	H	180	TYR	0	0.015	0.006	49.349	0.008	0.008	0.000	0.000	0.000	0.000
380	H	181	SER	0	-0.003	-0.003	53.425	-0.013	-0.013	0.000	0.000	0.000	0.000
381	H	182	LEU	0	0.007	0.007	47.642	0.011	0.011	0.000	0.000	0.000	0.000
382	H	183	SER	0	0.047	0.021	51.709	-0.016	-0.016	0.000	0.000	0.000	0.000
383	H	184	SER	0	-0.034	-0.021	47.787	0.014	0.014	0.000	0.000	0.000	0.000
384	H	185	VAL	0	0.030	0.001	50.211	-0.017	-0.017	0.000	0.000	0.000	0.000
385	H	186	VAL	0	0.020	0.014	48.746	0.017	0.017	0.000	0.000	0.000	0.000
386	H	187	THR	0	-0.037	-0.010	50.499	-0.012	-0.012	0.000	0.000	0.000	0.000
387	H	188	VAL	0	0.015	0.010	50.997	0.013	0.013	0.000	0.000	0.000	0.000
388	H	189	PRO	0	0.060	0.011	52.230	-0.006	-0.006	0.000	0.000	0.000	0.000
389	H	190	SER	0	-0.001	-0.021	55.445	-0.009	-0.009	0.000	0.000	0.000	0.000
390	H	191	SER	0	0.016	0.013	58.451	-0.006	-0.006	0.000	0.000	0.000	0.000
391	H	192	SER	0	-0.018	-0.026	55.237	-0.004	-0.004	0.000	0.000	0.000	0.000
392	H	193	LEU	0	-0.029	-0.013	57.300	-0.005	-0.005	0.000	0.000	0.000	0.000
393	H	194	GLY	0	0.004	0.021	59.561	-0.007	-0.007	0.000	0.000	0.000	0.000
394	H	195	THR	0	-0.036	-0.020	58.024	-0.004	-0.004	0.000	0.000	0.000	0.000
395	H	196	GLN	0	0.006	0.011	50.814	-0.015	-0.015	0.000	0.000	0.000	0.000
396	H	197	THR	0	0.001	0.007	54.568	-0.006	-0.006	0.000	0.000	0.000	0.000
397	H	198	TYR	0	-0.001	-0.004	51.732	0.015	0.015	0.000	0.000	0.000	0.000
398	H	199	ILE	0	0.014	0.002	51.605	-0.009	-0.009	0.000	0.000	0.000	0.000
399	H	201	ASN	0	-0.021	-0.039	47.191	-0.004	-0.004	0.000	0.000	0.000	0.000
400	H	202	VAL	0	0.036	0.012	47.763	0.017	0.017	0.000	0.000	0.000	0.000
401	H	203	ASN	0	-0.010	-0.012	45.219	-0.013	-0.013	0.000	0.000	0.000	0.000
402	H	204	HIS	0	0.043	0.040	46.873	0.004	0.004	0.000	0.000	0.000	0.000
403	H	205	LYS	1	0.991	0.986	39.448	-0.195	-0.195	0.000	0.000	0.000	0.000
404	H	206	PRO	0	-0.017	-0.004	45.546	-0.017	-0.017	0.000	0.000	0.000	0.000
405	H	207	SER	0	-0.011	-0.032	47.662	-0.014	-0.014	0.000	0.000	0.000	0.000
406	H	208	ASN	0	-0.051	-0.015	48.525	-0.003	-0.003	0.000	0.000	0.000	0.000
407	H	209	THR	0	0.010	0.003	49.678	-0.003	-0.003	0.000	0.000	0.000	0.000
408	H	210	LYS	1	0.871	0.915	47.449	-0.130	-0.130	0.000	0.000	0.000	0.000
409	H	211	VAL	0	-0.018	-0.003	50.527	-0.011	-0.011	0.000	0.000	0.000	0.000
410	H	212	ASP	-1	-0.799	-0.870	50.579	0.165	0.165	0.000	0.000	0.000	0.000
411	H	213	LYS	1	0.821	0.883	53.124	-0.148	-0.148	0.000	0.000	0.000	0.000
412	H	214	LYS	1	0.896	0.954	55.037	-0.142	-0.142	0.000	0.000	0.000	0.000
413	H	215	VAL	0	-0.015	-0.011	55.571	-0.004	-0.004	0.000	0.000	0.000	0.000
414	H	216	GLU	-1	-0.888	-0.957	58.084	0.145	0.145	0.000	0.000	0.000	0.000
415	H	217	PRO	0	-0.022	-0.011	60.857	0.000	0.000	0.000	0.000	0.000	0.000
416	H	218	LYS	1	0.855	0.918	63.573	-0.136	-0.136	0.000	0.000	0.000	0.000
417	H	219	SER	-1	-0.910	-0.937	66.634	0.127	0.127	0.000	0.000	0.000	0.000
418	L	1	ASP	0	-0.046	-0.045	45.084	-0.013	-0.013	0.000	0.000	0.000	0.000
419	L	2	ILE	0	0.028	0.035	40.607	-0.004	-0.004	0.000	0.000	0.000	0.000
420	L	3	GLN	0	0.029	0.019	43.707	0.004	0.004	0.000	0.000	0.000	0.000
421	L	4	LEU	0	-0.022	-0.010	38.892	0.007	0.007	0.000	0.000	0.000	0.000
422	L	5	THR	0	0.011	0.000	43.220	-0.017	-0.017	0.000	0.000	0.000	0.000
423	L	6	GLN	0	-0.016	-0.040	39.204	0.013	0.013	0.000	0.000	0.000	0.000
424	L	7	SER	0	0.005	0.038	43.017	-0.028	-0.028	0.000	0.000	0.000	0.000
425	L	8	PRO	0	0.028	0.000	42.910	0.023	0.023	0.000	0.000	0.000	0.000
426	L	9	ASP	-1	-0.800	-0.901	43.956	0.420	0.420	0.000	0.000	0.000	0.000
427	L	10	SER	0	-0.034	-0.012	44.447	0.020	0.020	0.000	0.000	0.000	0.000
428	L	11	LEU	0	0.006	0.006	40.221	-0.006	-0.006	0.000	0.000	0.000	0.000
429	L	12	ALA	0	0.048	0.041	42.743	0.016	0.016	0.000	0.000	0.000	0.000
430	L	13	VAL	0	-0.015	-0.015	39.673	-0.016	-0.016	0.000	0.000	0.000	0.000
431	L	14	SER	0	0.004	0.013	41.356	0.000	0.000	0.000	0.000	0.000	0.000
432	L	15	LEU	0	0.025	0.000	36.816	0.028	0.028	0.000	0.000	0.000	0.000
433	L	16	GLY	0	-0.009	0.002	36.040	-0.011	-0.011	0.000	0.000	0.000	0.000
434	L	17	GLU	-1	-0.915	-0.943	37.126	0.673	0.673	0.000	0.000	0.000	0.000
435	L	18	ARG	1	0.921	0.952	35.723	-0.762	-0.762	0.000	0.000	0.000	0.000
436	L	19	ALA	0	-0.006	0.006	37.036	-0.046	-0.046	0.000	0.000	0.000	0.000
437	L	20	THR	0	-0.027	-0.017	37.002	0.043	0.043	0.000	0.000	0.000	0.000
438	L	21	ILE	0	-0.021	-0.003	36.916	-0.037	-0.037	0.000	0.000	0.000	0.000
439	L	22	ASN	0	0.026	0.021	38.716	0.055	0.055	0.000	0.000	0.000	0.000
440	L	94	CYS	0	-0.067	-0.019	34.984	0.018	0.018	0.000	0.000	0.000	0.000
441	L	24	LYS	1	0.902	0.944	40.848	-0.411	-0.411	0.000	0.000	0.000	0.000
442	L	25	SER	0	0.006	-0.011	41.071	-0.006	-0.006	0.000	0.000	0.000	0.000
443	L	26	SER	0	-0.008	0.000	43.200	-0.001	-0.001	0.000	0.000	0.000	0.000
444	L	27	GLN	0	-0.011	-0.016	42.542	-0.036	-0.036	0.000	0.000	0.000	0.000
445	L	28	SER	0	0.018	0.022	41.347	0.033	0.033	0.000	0.000	0.000	0.000
446	L	29	VAL	0	0.032	0.011	37.105	-0.017	-0.017	0.000	0.000	0.000	0.000
447	L	30	LEU	0	-0.040	-0.006	35.610	0.036	0.036	0.000	0.000	0.000	0.000
448	L	31	TYR	0	-0.018	-0.012	33.832	-0.041	-0.041	0.000	0.000	0.000	0.000
449	L	32	SER	0	0.016	0.002	35.288	0.022	0.022	0.000	0.000	0.000	0.000
450	L	33	SER	0	-0.027	0.012	33.221	0.030	0.030	0.000	0.000	0.000	0.000
451	L	34	ILE	0	0.014	0.005	28.078	0.027	0.027	0.000	0.000	0.000	0.000
452	L	35	ASN	0	0.056	0.043	31.610	-0.035	-0.035	0.000	0.000	0.000	0.000
453	L	36	LYS	1	0.925	0.961	27.177	-0.944	-0.944	0.000	0.000	0.000	0.000
454	L	37	ASN	0	0.025	0.007	32.126	-0.085	-0.085	0.000	0.000	0.000	0.000
455	L	38	TYR	0	-0.085	-0.049	30.134	0.070	0.070	0.000	0.000	0.000	0.000
456	L	39	LEU	0	-0.015	-0.008	32.772	-0.045	-0.045	0.000	0.000	0.000	0.000
457	L	40	ALA	0	-0.002	-0.010	30.542	0.071	0.071	0.000	0.000	0.000	0.000
458	L	41	TRP	0	0.022	0.009	30.647	-0.065	-0.065	0.000	0.000	0.000	0.000
459	L	42	TYR	0	-0.034	-0.043	29.413	0.061	0.061	0.000	0.000	0.000	0.000
460	L	43	GLN	0	0.022	0.011	30.553	-0.015	-0.015	0.000	0.000	0.000	0.000
461	L	44	GLN	0	-0.021	-0.013	31.727	0.007	0.007	0.000	0.000	0.000	0.000
462	L	45	LYS	1	0.908	0.961	30.497	-0.932	-0.932	0.000	0.000	0.000	0.000
463	L	46	PRO	0	0.043	0.004	34.967	-0.017	-0.017	0.000	0.000	0.000	0.000
464	L	47	GLY	0	-0.007	0.002	35.576	0.017	0.017	0.000	0.000	0.000	0.000
465	L	48	GLN	0	-0.024	-0.002	31.055	0.048	0.048	0.000	0.000	0.000	0.000
466	L	49	PRO	0	0.027	0.020	29.160	-0.025	-0.025	0.000	0.000	0.000	0.000
467	L	50	PRO	0	-0.027	-0.010	30.923	0.053	0.053	0.000	0.000	0.000	0.000
468	L	51	LYS	1	0.919	0.989	23.017	-1.409	-1.409	0.000	0.000	0.000	0.000
469	L	52	LEU	0	-0.014	0.005	25.061	-0.026	-0.026	0.000	0.000	0.000	0.000
470	L	53	LEU	0	-0.045	-0.022	25.705	0.122	0.122	0.000	0.000	0.000	0.000
471	L	54	ILE	0	0.004	0.000	25.915	0.113	0.113	0.000	0.000	0.000	0.000
472	L	55	TYR	0	0.045	0.028	21.733	-0.089	-0.089	0.000	0.000	0.000	0.000
473	L	56	TRP	0	-0.001	-0.010	24.154	0.103	0.103	0.000	0.000	0.000	0.000
474	L	57	ALA	0	0.006	0.015	29.439	0.019	0.019	0.000	0.000	0.000	0.000
475	L	58	SER	0	-0.057	-0.035	28.855	-0.023	-0.023	0.000	0.000	0.000	0.000
476	L	59	THR	0	-0.031	-0.015	23.075	0.070	0.070	0.000	0.000	0.000	0.000
477	L	60	ARG	1	0.847	0.919	22.882	-1.779	-1.779	0.000	0.000	0.000	0.000
478	L	61	GLU	-1	-0.803	-0.866	20.711	1.762	1.762	0.000	0.000	0.000	0.000
479	L	62	SER	0	-0.022	-0.040	17.650	0.108	0.108	0.000	0.000	0.000	0.000
480	L	63	GLY	0	0.010	-0.013	18.988	-0.187	-0.187	0.000	0.000	0.000	0.000
481	L	64	VAL	0	-0.070	-0.015	20.510	-0.194	-0.194	0.000	0.000	0.000	0.000
482	L	65	PRO	0	0.011	0.000	22.667	0.126	0.126	0.000	0.000	0.000	0.000
483	L	66	ASP	-1	-0.807	-0.913	22.462	1.997	1.997	0.000	0.000	0.000	0.000
484	L	67	ARG	1	0.759	0.860	25.042	-1.263	-1.263	0.000	0.000	0.000	0.000
485	L	68	PHE	0	-0.002	0.007	27.424	-0.108	-0.108	0.000	0.000	0.000	0.000
486	L	69	SER	0	-0.006	-0.004	27.725	0.081	0.081	0.000	0.000	0.000	0.000
487	L	70	GLY	0	0.045	0.022	29.930	-0.065	-0.065	0.000	0.000	0.000	0.000
488	L	71	SER	0	-0.038	-0.021	31.664	0.023	0.023	0.000	0.000	0.000	0.000
489	L	72	GLY	0	0.067	0.025	34.207	-0.025	-0.025	0.000	0.000	0.000	0.000
490	L	73	SER	0	-0.011	-0.023	36.009	0.026	0.026	0.000	0.000	0.000	0.000
491	L	74	GLY	0	0.021	0.023	38.372	-0.023	-0.023	0.000	0.000	0.000	0.000
492	L	75	THR	0	-0.002	-0.016	40.739	-0.008	-0.008	0.000	0.000	0.000	0.000
493	L	76	ASP	-1	-0.876	-0.903	41.662	0.446	0.446	0.000	0.000	0.000	0.000
494	L	77	PHE	0	-0.007	-0.007	35.888	0.033	0.033	0.000	0.000	0.000	0.000
495	L	78	THR	0	-0.001	-0.008	36.583	-0.027	-0.027	0.000	0.000	0.000	0.000
496	L	79	LEU	0	-0.042	-0.002	31.571	0.058	0.058	0.000	0.000	0.000	0.000
497	L	80	THR	0	-0.001	-0.022	33.480	-0.065	-0.065	0.000	0.000	0.000	0.000
498	L	81	ILE	0	-0.009	0.000	31.932	0.070	0.070	0.000	0.000	0.000	0.000
499	L	82	SER	0	-0.042	-0.019	31.648	-0.045	-0.045	0.000	0.000	0.000	0.000
500	L	83	SER	0	0.013	0.000	32.254	0.049	0.049	0.000	0.000	0.000	0.000
501	L	84	LEU	0	-0.024	0.011	33.139	0.057	0.057	0.000	0.000	0.000	0.000
502	L	85	GLN	0	0.000	-0.020	30.865	-0.028	-0.028	0.000	0.000	0.000	0.000
503	L	86	ALA	0	0.057	0.021	34.075	-0.032	-0.032	0.000	0.000	0.000	0.000
504	L	87	GLU	-1	-0.891	-0.941	28.608	1.163	1.163	0.000	0.000	0.000	0.000
505	L	88	ASP	-1	-0.767	-0.855	31.088	1.080	1.080	0.000	0.000	0.000	0.000
506	L	89	VAL	0	-0.016	0.024	33.436	-0.026	-0.026	0.000	0.000	0.000	0.000
507	L	90	ALA	0	-0.029	-0.022	34.628	0.002	0.002	0.000	0.000	0.000	0.000
508	L	91	VAL	0	-0.020	0.001	36.660	-0.019	-0.019	0.000	0.000	0.000	0.000
509	L	92	TYR	0	-0.018	-0.031	32.242	0.069	0.069	0.000	0.000	0.000	0.000
510	L	93	TYR	0	0.016	0.022	35.442	-0.049	-0.049	0.000	0.000	0.000	0.000
511	L	95	GLN	0	0.019	-0.003	33.099	-0.005	-0.005	0.000	0.000	0.000	0.000
512	L	96	GLN	0	0.041	0.027	34.772	0.054	0.054	0.000	0.000	0.000	0.000
513	L	97	TYR	0	-0.014	-0.013	29.267	-0.004	-0.004	0.000	0.000	0.000	0.000
514	L	98	TYR	0	0.047	0.029	34.347	-0.005	-0.005	0.000	0.000	0.000	0.000
515	L	99	SER	0	0.030	0.012	36.551	-0.020	-0.020	0.000	0.000	0.000	0.000
516	L	100	THR	0	-0.055	0.002	37.476	0.007	0.007	0.000	0.000	0.000	0.000
517	L	101	PRO	0	0.000	-0.008	39.780	-0.014	-0.014	0.000	0.000	0.000	0.000
518	L	102	TYR	0	0.013	-0.002	32.229	0.007	0.007	0.000	0.000	0.000	0.000
519	L	103	THR	0	-0.018	-0.016	38.578	-0.011	-0.011	0.000	0.000	0.000	0.000
520	L	104	PHE	0	-0.016	-0.021	34.733	0.032	0.032	0.000	0.000	0.000	0.000
521	L	105	GLY	0	0.037	0.030	39.227	-0.024	-0.024	0.000	0.000	0.000	0.000
522	L	106	GLN	0	-0.008	-0.014	41.212	0.006	0.006	0.000	0.000	0.000	0.000
523	L	107	GLY	0	-0.013	-0.002	40.325	-0.007	-0.007	0.000	0.000	0.000	0.000
524	L	108	THR	0	-0.031	-0.021	39.822	-0.015	-0.015	0.000	0.000	0.000	0.000
525	L	109	LYS	1	0.864	0.928	39.751	-0.489	-0.489	0.000	0.000	0.000	0.000
526	L	110	VAL	0	-0.006	-0.005	37.674	-0.010	-0.010	0.000	0.000	0.000	0.000
527	L	111	GLU	-1	-0.882	-0.932	39.579	0.484	0.484	0.000	0.000	0.000	0.000
528	L	112	ILE	0	0.029	0.005	37.650	0.008	0.008	0.000	0.000	0.000	0.000
529	L	113	LYS	1	0.872	0.937	41.596	-0.546	-0.546	0.000	0.000	0.000	0.000
530	L	114	ARG	1	0.862	0.927	44.209	-0.438	-0.438	0.000	0.000	0.000	0.000
531	L	115	THR	0	0.012	-0.002	46.282	-0.015	-0.015	0.000	0.000	0.000	0.000
532	L	116	VAL	0	-0.005	0.010	49.706	0.003	0.003	0.000	0.000	0.000	0.000
533	L	117	ALA	0	-0.032	-0.016	51.033	0.001	0.001	0.000	0.000	0.000	0.000
534	L	118	ALA	0	0.028	0.008	52.952	-0.002	-0.002	0.000	0.000	0.000	0.000
535	L	119	PRO	0	0.004	0.020	54.528	0.005	0.005	0.000	0.000	0.000	0.000
536	L	120	SER	0	-0.026	-0.009	54.951	-0.014	-0.014	0.000	0.000	0.000	0.000
537	L	121	VAL	0	0.006	0.006	56.399	0.002	0.002	0.000	0.000	0.000	0.000
538	L	122	PHE	0	-0.015	-0.015	55.608	-0.008	-0.008	0.000	0.000	0.000	0.000
539	L	123	ILE	0	0.006	0.002	60.016	0.003	0.003	0.000	0.000	0.000	0.000
540	L	124	PHE	0	-0.032	-0.009	57.129	-0.001	-0.001	0.000	0.000	0.000	0.000
541	L	125	PRO	0	0.030	0.022	62.314	0.000	0.000	0.000	0.000	0.000	0.000
542	L	126	PRO	0	-0.005	0.003	63.765	0.003	0.003	0.000	0.000	0.000	0.000
543	L	127	SER	0	0.020	0.010	62.648	-0.006	-0.006	0.000	0.000	0.000	0.000
544	L	128	ASP	-1	-0.757	-0.897	64.751	0.123	0.123	0.000	0.000	0.000	0.000
545	L	129	GLU	-1	-0.920	-0.943	61.948	0.123	0.123	0.000	0.000	0.000	0.000
546	L	130	GLN	0	-0.009	-0.019	62.359	-0.002	-0.002	0.000	0.000	0.000	0.000
547	L	131	LEU	0	0.055	0.041	65.043	-0.003	-0.003	0.000	0.000	0.000	0.000
548	L	132	LYS	1	0.930	0.968	67.716	-0.104	-0.104	0.000	0.000	0.000	0.000
549	L	133	SER	0	-0.094	-0.049	65.720	-0.003	-0.003	0.000	0.000	0.000	0.000
550	L	134	GLY	0	0.031	0.018	67.837	-0.001	-0.001	0.000	0.000	0.000	0.000
551	L	135	THR	0	-0.048	-0.021	65.024	0.004	0.004	0.000	0.000	0.000	0.000
552	L	136	ALA	0	0.025	0.018	66.166	-0.001	-0.001	0.000	0.000	0.000	0.000
553	L	137	SER	0	-0.011	-0.005	61.169	0.001	0.001	0.000	0.000	0.000	0.000
554	L	138	VAL	0	-0.010	0.004	63.078	0.000	0.000	0.000	0.000	0.000	0.000
555	L	139	VAL	0	0.010	0.022	56.936	0.005	0.005	0.000	0.000	0.000	0.000
556	L	200	CYS	0	-0.076	-0.031	59.351	0.001	0.001	0.000	0.000	0.000	0.000
557	L	141	LEU	0	-0.037	-0.007	52.739	0.006	0.006	0.000	0.000	0.000	0.000
558	L	142	LEU	0	0.015	0.003	55.024	-0.005	-0.005	0.000	0.000	0.000	0.000
559	L	143	ASN	0	0.006	-0.015	50.643	0.012	0.012	0.000	0.000	0.000	0.000
560	L	144	ASN	0	0.036	0.012	46.885	-0.018	-0.018	0.000	0.000	0.000	0.000
561	L	145	PHE	0	-0.019	0.004	50.072	-0.005	-0.005	0.000	0.000	0.000	0.000
562	L	146	TYR	0	0.063	0.036	46.276	0.017	0.017	0.000	0.000	0.000	0.000
563	L	147	PRO	0	0.015	0.006	50.096	-0.006	-0.006	0.000	0.000	0.000	0.000
564	L	148	ARG	1	1.014	0.996	48.156	-0.375	-0.375	0.000	0.000	0.000	0.000
565	L	149	GLU	-1	-0.925	-0.964	51.160	0.356	0.356	0.000	0.000	0.000	0.000
566	L	150	ALA	0	0.035	-0.003	54.613	0.000	0.000	0.000	0.000	0.000	0.000
567	L	151	LYS	1	0.889	0.976	57.313	-0.222	-0.222	0.000	0.000	0.000	0.000
568	L	152	VAL	0	0.042	0.016	58.488	-0.002	-0.002	0.000	0.000	0.000	0.000
569	L	153	GLN	0	-0.010	-0.003	61.514	-0.002	-0.002	0.000	0.000	0.000	0.000
570	L	154	TRP	0	0.026	0.002	61.514	-0.005	-0.005	0.000	0.000	0.000	0.000
571	L	155	LYS	1	0.833	0.917	66.515	-0.191	-0.191	0.000	0.000	0.000	0.000
572	L	156	VAL	0	0.022	0.012	70.018	0.001	0.001	0.000	0.000	0.000	0.000
573	L	157	ASP	-1	-0.772	-0.888	72.312	0.132	0.132	0.000	0.000	0.000	0.000
574	L	158	ASN	0	-0.071	-0.038	74.054	0.002	0.002	0.000	0.000	0.000	0.000
575	L	159	ALA	0	0.033	0.033	74.516	0.001	0.001	0.000	0.000	0.000	0.000
576	L	160	LEU	0	-0.017	-0.019	70.394	0.004	0.004	0.000	0.000	0.000	0.000
577	L	161	GLN	0	-0.031	-0.008	67.704	-0.006	-0.006	0.000	0.000	0.000	0.000
578	L	162	SER	0	-0.028	-0.027	66.784	0.010	0.010	0.000	0.000	0.000	0.000
579	L	163	GLY	0	0.010	0.011	64.927	-0.006	-0.006	0.000	0.000	0.000	0.000
580	L	164	ASN	0	-0.005	-0.008	64.951	0.000	0.000	0.000	0.000	0.000	0.000
581	L	165	SER	0	0.028	0.008	61.558	-0.003	-0.003	0.000	0.000	0.000	0.000
582	L	166	GLN	0	-0.077	-0.034	56.616	-0.004	-0.004	0.000	0.000	0.000	0.000
583	L	167	GLU	-1	-0.880	-0.946	55.291	0.263	0.263	0.000	0.000	0.000	0.000
584	L	168	SER	0	-0.022	-0.020	50.226	0.008	0.008	0.000	0.000	0.000	0.000
585	L	169	VAL	0	-0.010	-0.009	48.149	-0.002	-0.002	0.000	0.000	0.000	0.000
586	L	170	THR	0	0.003	0.003	45.357	-0.001	-0.001	0.000	0.000	0.000	0.000
587	L	171	GLU	-1	-0.874	-0.947	40.646	0.508	0.508	0.000	0.000	0.000	0.000
588	L	172	GLN	0	-0.034	-0.010	41.368	0.011	0.011	0.000	0.000	0.000	0.000
589	L	173	ASP	-1	-0.805	-0.901	40.694	0.563	0.563	0.000	0.000	0.000	0.000
590	L	174	SER	0	-0.060	-0.039	36.372	0.025	0.025	0.000	0.000	0.000	0.000
591	L	175	LYS	1	0.909	0.954	36.690	-0.607	-0.607	0.000	0.000	0.000	0.000
592	L	176	ASP	-1	-0.806	-0.878	39.858	0.477	0.477	0.000	0.000	0.000	0.000
593	L	177	SER	0	-0.030	-0.014	41.233	-0.008	-0.008	0.000	0.000	0.000	0.000
594	L	178	THR	0	-0.084	-0.063	43.218	-0.022	-0.022	0.000	0.000	0.000	0.000
595	L	179	TYR	0	-0.043	-0.046	44.608	0.016	0.016	0.000	0.000	0.000	0.000
596	L	180	SER	0	0.075	0.032	47.727	-0.010	-0.010	0.000	0.000	0.000	0.000
597	L	181	LEU	0	-0.037	-0.012	49.936	0.005	0.005	0.000	0.000	0.000	0.000
598	L	182	SER	0	0.008	0.001	52.712	-0.008	-0.008	0.000	0.000	0.000	0.000
599	L	183	SER	0	0.037	0.024	54.805	-0.003	-0.003	0.000	0.000	0.000	0.000
600	L	184	THR	0	0.006	-0.004	57.117	-0.005	-0.005	0.000	0.000	0.000	0.000
601	L	185	LEU	0	-0.004	0.007	59.741	-0.002	-0.002	0.000	0.000	0.000	0.000
602	L	186	THR	0	-0.006	-0.019	61.856	-0.004	-0.004	0.000	0.000	0.000	0.000
603	L	187	LEU	0	-0.024	-0.006	64.594	-0.002	-0.002	0.000	0.000	0.000	0.000
604	L	188	SER	0	-0.002	-0.023	68.175	-0.002	-0.002	0.000	0.000	0.000	0.000
605	L	189	LYS	1	0.895	0.924	70.369	-0.103	-0.103	0.000	0.000	0.000	0.000
606	L	190	ALA	0	0.035	0.015	71.722	-0.001	-0.001	0.000	0.000	0.000	0.000
607	L	191	ASP	-1	-0.822	-0.894	72.432	0.121	0.121	0.000	0.000	0.000	0.000
608	L	192	TYR	0	0.013	0.004	69.418	0.003	0.003	0.000	0.000	0.000	0.000
609	L	193	GLU	-1	-0.853	-0.915	72.419	0.110	0.110	0.000	0.000	0.000	0.000
610	L	194	LYS	1	0.835	0.920	75.551	-0.118	-0.118	0.000	0.000	0.000	0.000
611	L	195	HIS	0	-0.009	0.014	74.377	-0.003	-0.003	0.000	0.000	0.000	0.000
612	L	196	LYS	1	0.833	0.915	75.522	-0.128	-0.128	0.000	0.000	0.000	0.000
613	L	197	VAL	0	0.032	0.014	72.577	0.003	0.003	0.000	0.000	0.000	0.000
614	L	198	TYR	0	-0.005	-0.003	68.388	0.001	0.001	0.000	0.000	0.000	0.000
615	L	199	ALA	0	0.012	-0.024	68.149	0.004	0.004	0.000	0.000	0.000	0.000
616	L	201	GLU	-1	-0.861	-0.928	64.877	0.203	0.203	0.000	0.000	0.000	0.000
617	L	202	VAL	0	0.031	0.005	59.158	0.003	0.003	0.000	0.000	0.000	0.000
618	L	203	THR	0	-0.043	-0.028	61.757	-0.004	-0.004	0.000	0.000	0.000	0.000
619	L	204	HIS	0	0.023	-0.005	54.052	-0.005	-0.005	0.000	0.000	0.000	0.000
620	L	205	GLN	0	0.046	0.025	55.095	0.001	0.001	0.000	0.000	0.000	0.000
621	L	206	GLY	0	-0.007	-0.016	57.005	0.000	0.000	0.000	0.000	0.000	0.000
622	L	207	LEU	0	-0.079	-0.028	57.831	-0.003	-0.003	0.000	0.000	0.000	0.000
623	L	208	SER	0	0.009	0.005	61.223	-0.002	-0.002	0.000	0.000	0.000	0.000
624	L	209	SER	0	0.028	0.003	64.210	-0.010	-0.010	0.000	0.000	0.000	0.000
625	L	210	PRO	0	-0.028	-0.011	64.577	0.006	0.006	0.000	0.000	0.000	0.000
626	L	211	VAL	0	0.020	0.030	62.622	-0.008	-0.008	0.000	0.000	0.000	0.000
627	L	212	THR	0	0.018	0.002	64.470	0.000	0.000	0.000	0.000	0.000	0.000
628	L	213	LYS	1	0.846	0.930	62.546	-0.221	-0.221	0.000	0.000	0.000	0.000
629	L	214	SER	0	0.040	0.005	65.863	0.001	0.001	0.000	0.000	0.000	0.000
630	L	215	PHE	0	-0.042	-0.011	66.164	0.002	0.002	0.000	0.000	0.000	0.000
631	L	216	ASN	0	-0.032	-0.021	69.833	0.002	0.002	0.000	0.000	0.000	0.000
632	L	217	ARG	1	0.802	0.896	71.903	-0.123	-0.123	0.000	0.000	0.000	0.000
633	L	218	GLY	0	-0.046	-0.016	71.786	-0.004	-0.004	0.000	0.000	0.000	0.000
634	L	219	GLU	-2	-1.704	-1.828	71.446	0.273	0.273	0.000	0.000	0.000	0.000
635	E	1001	HOH	0	0.004	-0.005	31.480	0.004	0.004	0.000	0.000	0.000	0.000
636	E	1002	HOH	0	-0.004	-0.019	37.498	0.008	0.008	0.000	0.000	0.000	0.000
637	E	1003	HOH	0	-0.026	-0.016	41.186	0.005	0.005	0.000	0.000	0.000	0.000
638	E	1004	HOH	0	-0.045	-0.026	41.050	0.000	0.000	0.000	0.000	0.000	0.000
639	E	1005	HOH	0	-0.033	-0.033	38.148	-0.006	-0.006	0.000	0.000	0.000	0.000
640	E	1006	HOH	0	-0.012	-0.014	20.408	0.003	0.003	0.000	0.000	0.000	0.000
641	H	401	HOH	0	-0.041	-0.048	39.642	-0.003	-0.003	0.000	0.000	0.000	0.000
642	H	402	HOH	0	-0.033	-0.051	49.782	0.000	0.000	0.000	0.000	0.000	0.000
643	H	403	HOH	0	0.028	0.009	31.961	-0.015	-0.015	0.000	0.000	0.000	0.000
644	H	404	HOH	0	-0.005	-0.001	21.758	-0.037	-0.037	0.000	0.000	0.000	0.000
645	H	405	HOH	0	-0.030	-0.017	57.591	-0.001	-0.001	0.000	0.000	0.000	0.000
646	H	406	HOH	0	-0.024	-0.017	41.385	0.001	0.001	0.000	0.000	0.000	0.000
647	H	407	HOH	0	0.009	-0.002	44.830	0.004	0.004	0.000	0.000	0.000	0.000
648	H	408	HOH	0	0.013	-0.001	22.093	0.002	0.002	0.000	0.000	0.000	0.000
649	H	409	HOH	0	-0.012	-0.013	20.322	0.032	0.032	0.000	0.000	0.000	0.000
650	L	1701	HOH	0	0.018	0.005	62.042	0.003	0.003	0.000	0.000	0.000	0.000
651	L	1702	HOH	0	-0.012	0.001	60.311	-0.004	-0.004	0.000	0.000	0.000	0.000
652	L	1703	HOH	0	-0.034	-0.035	26.883	0.038	0.038	0.000	0.000	0.000	0.000
653	L	1704	HOH	0	-0.030	-0.027	36.720	0.015	0.015	0.000	0.000	0.000	0.000
654	L	1705	HOH	0	-0.006	0.000	45.754	0.004	0.004	0.000	0.000	0.000	0.000
655	L	1706	HOH	0	0.028	0.019	63.733	-0.002	-0.002	0.000	0.000	0.000	0.000
656	L	1707	HOH	0	0.022	0.013	55.451	0.001	0.001	0.000	0.000	0.000	0.000
657	L	1708	HOH	0	-0.020	-0.019	54.812	-0.006	-0.006	0.000	0.000	0.000	0.000
658	L	1709	HOH	0	-0.008	-0.008	60.795	-0.004	-0.004	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(E:327:GLU )