FMO DATABASE

FMODB ID: GQG81

Calculation Name: 7C2L-AHL-EM164

Preferred Name:

Target Type:

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

ligand 3-letter code: NAG

PDB ID: 7C2L

Chain ID: AHL

ChEMBL ID:

UniProt ID: P0DTC2

Base Structure: ElectronMicroscopy

Registration Date: 2020-10-05

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	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	746
LigandCharge	None
Software	MIZUHO/ABINIT-MP 4.0(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16302757.592412
FMO2-HF: Nuclear repulsion	16010884.373516
FMO2-HF: Total energy	-291873.218895
FMO2-MP2: Total energy	-292722.869754

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Antigen and antibody binding energy (frag 1-302 : frag 303-746)

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.
-1389.7454	-1347.0751	160.8169	-78.6492	-124.8380	-0.6859

Interactive mode: IFIE and PIEDA for fragment #1(A:14:GLN )

Summations of interaction energy for fragment #1(A:14:GLN )

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.
-32.029	-28.691	13.504	-6.559	-10.284	0

Interaction energy analysis for fragmet #1(A:14:GLN )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.013 / q_NPA : -0.013

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].
3	A	16	VAL	0	0.011	0.021	3.199	-1.333	0.922	0.021	-0.997	-1.280
4	A	17	ASN	0	0.008	0.011	5.390	0.120	0.208	-0.001	-0.006	-0.081
5	A	18	LEU	0	-0.071	-0.035	8.831	0.195	0.195	0.000	0.000	0.000
6	A	19	THR	0	0.101	0.044	11.564	-0.081	-0.081	0.000	0.000	0.000
7	A	20	THR	0	-0.081	-0.030	15.123	-0.018	-0.018	0.000	0.000	0.000
8	A	21	ARG	1	0.940	0.951	17.660	-0.280	-0.280	0.000	0.000	0.000
9	A	22	THR	0	-0.065	-0.017	20.731	-0.014	-0.014	0.000	0.000	0.000
10	A	23	GLN	0	0.069	0.033	21.558	-0.001	-0.001	0.000	0.000	0.000
11	A	24	LEU	0	-0.051	-0.018	24.008	0.000	0.000	0.000	0.000	0.000
12	A	25	PRO	0	-0.001	0.005	27.500	-0.006	-0.006	0.000	0.000	0.000
13	A	26	PRO	0	0.026	0.002	26.083	0.004	0.004	0.000	0.000	0.000
14	A	27	ALA	0	0.016	0.021	28.096	-0.005	-0.005	0.000	0.000	0.000
15	A	28	TYR	0	0.005	0.005	30.220	-0.006	-0.006	0.000	0.000	0.000
16	A	29	THR	0	-0.033	-0.018	32.231	0.004	0.004	0.000	0.000	0.000
17	A	30	ASN	0	-0.002	0.003	34.732	-0.005	-0.005	0.000	0.000	0.000
18	A	31	SER	0	-0.031	-0.011	34.936	0.000	0.000	0.000	0.000	0.000
19	A	32	PHE	0	-0.005	0.001	36.971	-0.002	-0.002	0.000	0.000	0.000
20	A	33	THR	0	0.051	0.027	40.492	-0.002	-0.002	0.000	0.000	0.000
21	A	34	ARG	1	0.772	0.859	35.290	0.043	0.043	0.000	0.000	0.000
22	A	35	GLY	0	0.049	0.024	34.804	-0.001	-0.001	0.000	0.000	0.000
23	A	36	VAL	0	-0.015	-0.002	35.589	-0.003	-0.003	0.000	0.000	0.000
24	A	37	TYR	0	-0.027	-0.016	34.926	-0.002	-0.002	0.000	0.000	0.000
25	A	38	TYR	0	0.012	-0.002	37.024	0.006	0.006	0.000	0.000	0.000
26	A	39	PRO	0	-0.025	-0.007	37.936	-0.007	-0.007	0.000	0.000	0.000
27	A	40	ASP	-1	-0.779	-0.884	39.556	-0.087	-0.087	0.000	0.000	0.000
28	A	41	LYS	1	0.850	0.893	35.056	0.138	0.138	0.000	0.000	0.000
29	A	42	VAL	0	-0.056	-0.007	41.201	0.001	0.001	0.000	0.000	0.000
30	A	43	PHE	0	-0.001	0.009	45.027	0.001	0.001	0.000	0.000	0.000
31	A	44	ARG	1	0.809	0.888	45.245	0.074	0.074	0.000	0.000	0.000
32	A	45	SER	0	0.061	0.037	49.442	0.000	0.000	0.000	0.000	0.000
33	A	46	SER	0	0.041	0.011	51.340	-0.001	-0.001	0.000	0.000	0.000
34	A	47	VAL	0	-0.034	-0.005	51.270	0.002	0.002	0.000	0.000	0.000
35	A	48	LEU	0	0.020	0.009	51.507	-0.001	-0.001	0.000	0.000	0.000
36	A	49	HIS	0	-0.004	0.009	46.107	0.003	0.003	0.000	0.000	0.000
37	A	50	SER	0	-0.042	-0.029	48.164	0.001	0.001	0.000	0.000	0.000
38	A	51	THR	0	-0.038	-0.038	42.651	-0.004	-0.004	0.000	0.000	0.000
39	A	52	GLN	0	-0.020	0.003	42.519	-0.001	-0.001	0.000	0.000	0.000
40	A	53	ASP	-1	-0.772	-0.874	38.092	-0.100	-0.100	0.000	0.000	0.000
41	A	54	LEU	0	-0.006	0.001	33.972	0.005	0.005	0.000	0.000	0.000
42	A	55	PHE	0	0.021	0.026	36.546	-0.005	-0.005	0.000	0.000	0.000
43	A	56	LEU	0	0.036	0.022	33.431	0.000	0.000	0.000	0.000	0.000
44	A	57	PRO	0	-0.007	0.002	36.430	0.002	0.002	0.000	0.000	0.000
45	A	58	PHE	0	0.009	0.010	38.951	0.002	0.002	0.000	0.000	0.000
46	A	59	PHE	0	-0.014	-0.019	40.550	0.002	0.002	0.000	0.000	0.000
47	A	60	SER	0	0.007	0.004	36.170	0.002	0.002	0.000	0.000	0.000
48	A	61	ASN	0	-0.025	-0.027	35.801	0.005	0.005	0.000	0.000	0.000
49	A	62	VAL	0	-0.015	-0.001	30.528	-0.002	-0.002	0.000	0.000	0.000
50	A	63	THR	0	0.010	0.010	27.500	0.006	0.006	0.000	0.000	0.000
51	A	64	TRP	0	-0.016	-0.018	27.294	-0.003	-0.003	0.000	0.000	0.000
52	A	65	PHE	0	0.035	0.008	22.516	0.008	0.008	0.000	0.000	0.000
53	A	66	HIS	0	-0.020	-0.014	23.002	0.009	0.009	0.000	0.000	0.000
54	A	67	ALA	0	0.013	0.005	17.881	0.003	0.003	0.000	0.000	0.000
55	A	68	ILE	0	0.004	0.010	15.674	0.026	0.026	0.000	0.000	0.000
56	A	69	HIS	0	0.025	0.006	18.587	-0.022	-0.022	0.000	0.000	0.000
57	A	70	VAL	0	0.039	0.023	21.593	0.032	0.032	0.000	0.000	0.000
58	A	71	SER	0	-0.040	-0.047	23.979	-0.026	-0.026	0.000	0.000	0.000
59	A	72	GLY	0	-0.014	-0.005	26.964	0.011	0.011	0.000	0.000	0.000
60	A	73	THR	0	-0.060	-0.036	27.749	-0.007	-0.007	0.000	0.000	0.000
61	A	74	ASN	0	0.033	0.008	26.520	0.003	0.003	0.000	0.000	0.000
62	A	75	GLY	0	0.076	0.047	23.306	0.017	0.017	0.000	0.000	0.000
63	A	76	THR	0	-0.085	-0.028	21.869	-0.032	-0.032	0.000	0.000	0.000
64	A	77	LYS	1	0.921	0.966	17.224	-0.513	-0.513	0.000	0.000	0.000
65	A	78	ARG	1	0.866	0.937	18.662	-0.198	-0.198	0.000	0.000	0.000
66	A	79	PHE	0	0.038	0.005	12.091	0.027	0.027	0.000	0.000	0.000
67	A	80	ASP	-1	-0.870	-0.940	16.846	0.065	0.065	0.000	0.000	0.000
68	A	81	ASN	0	-0.011	0.008	13.543	0.020	0.020	0.000	0.000	0.000
69	A	82	PRO	0	0.014	0.024	16.357	-0.037	-0.037	0.000	0.000	0.000
70	A	83	VAL	0	-0.029	-0.019	16.057	-0.020	-0.020	0.000	0.000	0.000
71	A	84	LEU	0	-0.022	-0.002	18.567	0.025	0.025	0.000	0.000	0.000
72	A	85	PRO	0	0.010	-0.006	22.120	-0.026	-0.026	0.000	0.000	0.000
73	A	86	PHE	0	-0.017	-0.020	23.687	0.001	0.001	0.000	0.000	0.000
74	A	87	ASN	0	-0.025	-0.022	25.498	0.002	0.002	0.000	0.000	0.000
75	A	88	ASP	-1	-0.863	-0.928	29.076	-0.103	-0.103	0.000	0.000	0.000
76	A	89	GLY	0	-0.014	-0.006	28.803	-0.006	-0.006	0.000	0.000	0.000
77	A	90	VAL	0	-0.057	-0.018	25.194	0.011	0.011	0.000	0.000	0.000
78	A	91	TYR	0	-0.049	-0.043	28.251	-0.006	-0.006	0.000	0.000	0.000
79	A	92	PHE	0	0.029	0.005	21.332	0.003	0.003	0.000	0.000	0.000
80	A	93	ALA	0	0.016	0.009	26.843	-0.005	-0.005	0.000	0.000	0.000
81	A	94	SER	0	0.016	0.008	23.563	0.005	0.005	0.000	0.000	0.000
82	A	95	THR	0	0.028	0.019	26.492	-0.006	-0.006	0.000	0.000	0.000
83	A	96	GLU	-1	-0.806	-0.901	22.022	0.037	0.037	0.000	0.000	0.000
84	A	97	LYS	1	0.858	0.916	24.718	-0.043	-0.043	0.000	0.000	0.000
85	A	98	SER	0	0.017	0.030	21.739	0.002	0.002	0.000	0.000	0.000
86	A	99	ASN	0	-0.016	-0.018	20.123	0.009	0.009	0.000	0.000	0.000
87	A	100	ILE	0	0.023	0.022	16.376	-0.023	-0.023	0.000	0.000	0.000
88	A	101	ILE	0	0.012	0.006	16.515	-0.002	-0.002	0.000	0.000	0.000
89	A	102	ARG	1	0.773	0.847	15.068	0.154	0.154	0.000	0.000	0.000
90	A	103	GLY	0	0.044	0.023	17.265	-0.051	-0.051	0.000	0.000	0.000
91	A	104	TRP	0	-0.050	-0.013	17.059	0.030	0.030	0.000	0.000	0.000
92	A	105	ILE	0	-0.007	0.009	12.070	-0.053	-0.053	0.000	0.000	0.000
93	A	106	PHE	0	0.048	0.016	16.011	0.039	0.039	0.000	0.000	0.000
94	A	107	GLY	0	0.057	0.018	18.422	-0.043	-0.043	0.000	0.000	0.000
95	A	108	THR	0	0.013	0.002	19.433	0.028	0.028	0.000	0.000	0.000
96	A	109	THR	0	0.016	0.006	17.802	0.030	0.030	0.000	0.000	0.000
97	A	110	LEU	0	-0.037	0.003	13.888	0.021	0.021	0.000	0.000	0.000
98	A	111	ASP	-1	-0.786	-0.866	13.075	-0.482	-0.482	0.000	0.000	0.000
99	A	112	SER	0	0.064	0.038	13.937	0.040	0.040	0.000	0.000	0.000
100	A	113	LYS	1	0.764	0.854	15.395	0.419	0.419	0.000	0.000	0.000
101	A	114	THR	0	-0.041	-0.032	18.166	0.028	0.028	0.000	0.000	0.000
102	A	115	GLN	0	0.053	0.022	17.701	-0.077	-0.077	0.000	0.000	0.000
103	A	116	SER	0	-0.050	-0.042	15.265	0.031	0.031	0.000	0.000	0.000
104	A	117	LEU	0	-0.008	0.007	17.125	-0.042	-0.042	0.000	0.000	0.000
105	A	118	LEU	0	-0.008	0.002	11.584	0.012	0.012	0.000	0.000	0.000
106	A	119	ILE	0	0.002	0.000	15.945	-0.001	-0.001	0.000	0.000	0.000
107	A	120	VAL	0	0.018	0.000	12.881	0.012	0.012	0.000	0.000	0.000
108	A	121	ASN	0	0.031	0.004	16.295	0.006	0.006	0.000	0.000	0.000
109	A	122	ASN	0	0.010	0.009	15.482	0.064	0.064	0.000	0.000	0.000
110	A	123	ALA	0	0.073	0.052	17.222	-0.004	-0.004	0.000	0.000	0.000
111	A	124	THR	0	-0.054	-0.034	19.621	0.029	0.029	0.000	0.000	0.000
112	A	125	ASN	0	-0.051	-0.042	20.678	0.037	0.037	0.000	0.000	0.000
113	A	126	VAL	0	-0.044	0.016	19.676	-0.037	-0.037	0.000	0.000	0.000
114	A	127	VAL	0	0.008	-0.005	16.194	-0.005	-0.005	0.000	0.000	0.000
115	A	128	ILE	0	-0.049	-0.022	17.776	-0.017	-0.017	0.000	0.000	0.000
116	A	129	LYS	1	0.904	0.937	11.664	1.183	1.183	0.000	0.000	0.000
117	A	130	VAL	0	-0.033	-0.012	17.468	0.008	0.008	0.000	0.000	0.000
118	A	166	CYS	0	-0.019	0.018	14.528	0.024	0.024	0.000	0.000	0.000
119	A	132	GLU	-1	-0.832	-0.912	15.707	-0.413	-0.413	0.000	0.000	0.000
120	A	133	PHE	0	-0.067	-0.033	10.862	-0.074	-0.074	0.000	0.000	0.000
121	A	134	GLN	0	-0.008	0.004	9.066	0.190	0.190	0.000	0.000	0.000
122	A	135	PHE	0	0.002	-0.016	7.654	-0.335	-0.335	0.000	0.000	0.000
123	A	137	ASN	0	-0.046	-0.037	7.019	0.075	0.075	0.000	0.000	0.000
124	A	138	ASP	-1	-0.795	-0.891	8.783	0.136	0.136	0.000	0.000	0.000
125	A	139	PRO	0	-0.036	-0.002	7.691	0.074	0.074	0.000	0.000	0.000
126	A	140	PHE	0	-0.040	-0.026	5.605	0.126	0.126	0.000	0.000	0.000
127	A	141	LEU	0	0.007	-0.005	7.581	-0.172	-0.172	0.000	0.000	0.000
128	A	142	GLY	0	0.013	0.004	7.227	0.342	0.342	0.000	0.000	0.000
129	A	143	VAL	0	-0.032	-0.016	8.208	-0.388	-0.388	0.000	0.000	0.000
130	A	144	TYR	0	0.023	0.007	5.912	0.488	0.488	0.000	0.000	0.000
131	A	145	TYR	0	0.073	0.042	11.422	-0.221	-0.221	0.000	0.000	0.000
132	A	146	HIS	1	0.866	0.929	10.556	0.670	0.670	0.000	0.000	0.000
133	A	147	LYS	1	0.845	0.924	13.017	-0.029	-0.029	0.000	0.000	0.000
134	A	148	ASN	0	0.024	0.005	15.304	0.011	0.011	0.000	0.000	0.000
135	A	149	ASN	0	-0.036	-0.038	16.084	-0.050	-0.050	0.000	0.000	0.000
136	A	150	LYS	1	0.810	0.903	18.186	0.043	0.043	0.000	0.000	0.000
137	A	151	SER	0	0.039	0.026	16.019	0.026	0.026	0.000	0.000	0.000
138	A	152	TRP	0	0.025	0.002	14.424	-0.015	-0.015	0.000	0.000	0.000
139	A	153	MET	0	-0.064	-0.032	11.497	-0.052	-0.052	0.000	0.000	0.000
140	A	154	GLU	-1	-0.810	-0.893	11.088	-0.197	-0.197	0.000	0.000	0.000
141	A	155	SER	0	-0.029	-0.003	6.210	-0.339	-0.339	0.000	0.000	0.000
142	A	156	GLU	-1	-0.782	-0.898	6.793	-1.685	-1.685	0.000	0.000	0.000
143	A	157	PHE	0	-0.009	-0.005	2.642	-0.538	0.304	0.220	-0.235	-0.826
144	A	158	ARG	1	0.900	0.943	2.091	-28.777	-28.871	13.265	-5.297	-7.873
145	A	159	VAL	0	-0.009	0.011	4.106	0.091	0.169	0.000	-0.007	-0.073
146	A	160	TYR	0	0.033	0.005	5.747	0.395	0.395	0.000	0.000	0.000
147	A	161	SER	0	0.031	0.015	4.697	-1.227	-1.058	-0.001	-0.017	-0.151
148	A	162	SER	0	-0.056	-0.032	5.583	-0.116	-0.116	0.000	0.000	0.000
149	A	163	ALA	0	0.039	0.007	8.824	0.075	0.075	0.000	0.000	0.000
150	A	164	ASN	0	0.015	0.018	11.653	-0.033	-0.033	0.000	0.000	0.000
151	A	165	ASN	0	-0.033	-0.049	14.786	0.007	0.007	0.000	0.000	0.000
152	A	167	THR	0	0.031	0.024	18.276	0.025	0.025	0.000	0.000	0.000
153	A	168	PHE	0	-0.037	-0.028	20.541	0.043	0.043	0.000	0.000	0.000
154	A	169	GLU	-1	-0.917	-0.962	18.898	-0.620	-0.620	0.000	0.000	0.000
155	A	170	TYR	0	-0.024	-0.001	20.920	0.051	0.051	0.000	0.000	0.000
156	A	171	VAL	0	0.046	0.018	20.555	-0.032	-0.032	0.000	0.000	0.000
157	A	172	SER	0	-0.030	-0.010	22.856	0.038	0.038	0.000	0.000	0.000
158	A	173	GLN	0	0.037	0.018	24.059	-0.002	-0.002	0.000	0.000	0.000
159	A	174	PRO	0	-0.013	-0.002	22.236	0.000	0.000	0.000	0.000	0.000
160	A	175	PHE	0	0.045	0.013	23.387	0.018	0.018	0.000	0.000	0.000
161	A	176	LEU	0	-0.074	-0.042	20.657	0.022	0.022	0.000	0.000	0.000
162	A	177	MET	0	-0.009	0.012	24.451	0.000	0.000	0.000	0.000	0.000
163	A	178	ASP	-1	-0.855	-0.918	24.746	-0.060	-0.060	0.000	0.000	0.000
164	A	179	LEU	0	0.001	-0.011	27.934	-0.004	-0.004	0.000	0.000	0.000
165	A	180	GLU	-1	-0.772	-0.917	30.597	0.012	0.012	0.000	0.000	0.000
166	A	181	GLY	0	0.024	0.022	32.373	0.000	0.000	0.000	0.000	0.000
167	A	182	LYS	1	0.857	0.925	34.312	0.019	0.019	0.000	0.000	0.000
168	A	183	GLN	0	0.000	0.000	34.320	0.001	0.001	0.000	0.000	0.000
169	A	184	GLY	0	0.039	0.023	34.042	0.008	0.008	0.000	0.000	0.000
170	A	185	ASN	0	-0.038	-0.030	35.014	-0.004	-0.004	0.000	0.000	0.000
171	A	186	PHE	0	0.045	0.037	34.301	-0.005	-0.005	0.000	0.000	0.000
172	A	187	LYS	0	0.030	0.019	30.847	-0.001	-0.001	0.000	0.000	0.000
173	A	188	ASN	0	-0.051	-0.023	30.039	-0.006	-0.006	0.000	0.000	0.000
174	A	189	LEU	0	0.025	0.025	29.520	-0.002	-0.002	0.000	0.000	0.000
175	A	190	ARG	1	0.866	0.934	25.108	0.048	0.048	0.000	0.000	0.000
176	A	191	GLU	-1	-0.785	-0.866	28.539	-0.049	-0.049	0.000	0.000	0.000
177	A	192	PHE	0	0.012	-0.009	25.420	-0.011	-0.011	0.000	0.000	0.000
178	A	193	VAL	0	-0.008	0.001	28.377	0.010	0.010	0.000	0.000	0.000
179	A	194	PHE	0	0.000	0.005	23.678	-0.012	-0.012	0.000	0.000	0.000
180	A	195	LYS	1	0.875	0.914	27.811	0.118	0.118	0.000	0.000	0.000
181	A	196	ASN	0	-0.063	-0.038	27.053	-0.011	-0.011	0.000	0.000	0.000
182	A	197	ILE	0	0.030	0.019	29.205	0.008	0.008	0.000	0.000	0.000
183	A	198	ASP	-1	-0.835	-0.941	32.168	-0.151	-0.151	0.000	0.000	0.000
184	A	199	GLY	0	0.040	0.037	30.077	-0.001	-0.001	0.000	0.000	0.000
185	A	200	TYR	0	-0.016	-0.004	29.665	-0.015	-0.015	0.000	0.000	0.000
186	A	201	PHE	0	-0.017	-0.007	23.604	0.003	0.003	0.000	0.000	0.000
187	A	202	LYS	1	0.879	0.948	27.839	0.142	0.142	0.000	0.000	0.000
188	A	203	ILE	0	0.020	0.016	24.529	0.003	0.003	0.000	0.000	0.000
189	A	204	TYR	0	-0.006	0.001	28.738	0.001	0.001	0.000	0.000	0.000
190	A	205	SER	0	-0.012	-0.008	29.202	-0.003	-0.003	0.000	0.000	0.000
191	A	206	LYS	1	0.817	0.890	30.887	0.084	0.084	0.000	0.000	0.000
192	A	207	HIS	0	0.036	0.023	27.709	0.011	0.011	0.000	0.000	0.000
193	A	208	THR	0	0.001	-0.002	32.392	0.000	0.000	0.000	0.000	0.000
194	A	209	PRO	0	-0.028	-0.008	34.140	0.005	0.005	0.000	0.000	0.000
195	A	210	ILE	0	-0.021	-0.014	33.554	0.000	0.000	0.000	0.000	0.000
196	A	211	ASN	0	-0.028	-0.034	36.593	0.006	0.006	0.000	0.000	0.000
197	A	212	LEU	0	-0.043	0.003	37.186	0.004	0.004	0.000	0.000	0.000
198	A	213	VAL	0	0.001	-0.013	36.044	0.001	0.001	0.000	0.000	0.000
199	A	214	ARG	1	0.823	0.894	32.759	-0.024	-0.024	0.000	0.000	0.000
200	A	215	ASP	-1	-0.777	-0.846	32.613	0.014	0.014	0.000	0.000	0.000
201	A	216	LEU	0	0.017	0.003	32.522	-0.002	-0.002	0.000	0.000	0.000
202	A	217	PRO	0	-0.010	-0.004	35.621	0.004	0.004	0.000	0.000	0.000
203	A	218	GLN	0	0.026	-0.003	38.758	-0.005	-0.005	0.000	0.000	0.000
204	A	219	GLY	0	-0.008	0.020	41.433	-0.001	-0.001	0.000	0.000	0.000
205	A	220	PHE	0	0.046	0.032	40.911	-0.001	-0.001	0.000	0.000	0.000
206	A	221	SER	0	-0.056	-0.036	35.888	0.003	0.003	0.000	0.000	0.000
207	A	222	ALA	0	-0.006	0.009	38.661	-0.001	-0.001	0.000	0.000	0.000
208	A	223	LEU	0	0.001	-0.002	32.334	-0.001	-0.001	0.000	0.000	0.000
209	A	224	GLU	-1	-0.752	-0.864	34.945	-0.090	-0.090	0.000	0.000	0.000
210	A	225	PRO	0	-0.036	-0.030	32.892	-0.005	-0.005	0.000	0.000	0.000
211	A	226	LEU	0	-0.037	-0.007	27.452	0.001	0.001	0.000	0.000	0.000
212	A	227	VAL	0	-0.007	-0.013	26.375	-0.007	-0.007	0.000	0.000	0.000
213	A	228	ASP	-1	-0.879	-0.925	29.833	-0.157	-0.157	0.000	0.000	0.000
214	A	229	LEU	0	-0.005	0.002	23.945	-0.008	-0.008	0.000	0.000	0.000
215	A	230	PRO	0	0.014	0.003	27.959	0.006	0.006	0.000	0.000	0.000
216	A	231	ILE	0	-0.030	-0.015	23.230	-0.013	-0.013	0.000	0.000	0.000
217	A	232	GLY	0	0.013	0.002	26.447	-0.006	-0.006	0.000	0.000	0.000
218	A	233	ILE	0	-0.063	-0.015	20.328	0.004	0.004	0.000	0.000	0.000
219	A	234	ASN	0	0.025	0.012	24.606	0.024	0.024	0.000	0.000	0.000
220	A	235	ILE	0	-0.032	0.000	22.156	-0.020	-0.020	0.000	0.000	0.000
221	A	236	THR	0	0.001	-0.006	22.941	0.022	0.022	0.000	0.000	0.000
222	A	237	ARG	1	0.816	0.909	17.013	0.261	0.261	0.000	0.000	0.000
223	A	238	PHE	0	-0.005	0.003	18.655	-0.031	-0.031	0.000	0.000	0.000
224	A	239	GLN	0	0.045	0.019	13.612	-0.036	-0.036	0.000	0.000	0.000
225	A	240	THR	0	-0.045	-0.028	16.784	-0.020	-0.020	0.000	0.000	0.000
226	A	241	LEU	0	0.020	0.010	11.149	0.024	0.024	0.000	0.000	0.000
227	A	242	LEU	0	0.027	0.008	12.716	0.012	0.012	0.000	0.000	0.000
228	A	243	ALA	0	-0.003	0.002	11.854	-0.010	-0.010	0.000	0.000	0.000
229	A	244	LEU	0	-0.051	-0.021	9.798	0.023	0.023	0.000	0.000	0.000
230	A	245	HIS	0	0.006	-0.016	10.728	0.023	0.023	0.000	0.000	0.000
231	A	246	ARG	1	0.818	0.922	8.838	-1.825	-1.825	0.000	0.000	0.000
232	A	247	SER	0	-0.011	0.017	12.386	-0.234	-0.234	0.000	0.000	0.000
233	A	248	TYR	0	0.038	-0.017	11.977	0.058	0.058	0.000	0.000	0.000
234	A	249	LEU	0	-0.016	0.007	16.982	0.016	0.016	0.000	0.000	0.000
235	A	250	THR	0	-0.047	-0.022	19.213	-0.072	-0.072	0.000	0.000	0.000
236	A	251	PRO	0	-0.022	-0.014	19.686	0.060	0.060	0.000	0.000	0.000
237	A	252	GLY	0	0.030	0.020	17.724	-0.024	-0.024	0.000	0.000	0.000
238	A	253	ASP	-1	-0.891	-0.947	17.838	0.515	0.515	0.000	0.000	0.000
239	A	254	SER	0	-0.048	-0.031	15.891	-0.005	-0.005	0.000	0.000	0.000
240	A	255	SER	0	-0.010	-0.010	12.112	-0.040	-0.040	0.000	0.000	0.000
241	A	256	SER	0	-0.032	-0.005	9.103	0.361	0.361	0.000	0.000	0.000
242	A	257	GLY	0	0.066	0.034	11.387	-0.156	-0.156	0.000	0.000	0.000
243	A	258	TRP	0	0.001	-0.005	5.547	-0.018	-0.018	0.000	0.000	0.000
244	A	259	THR	0	-0.025	-0.014	11.618	-0.218	-0.218	0.000	0.000	0.000
245	A	260	ALA	0	0.065	0.039	14.035	-0.047	-0.047	0.000	0.000	0.000
246	A	261	GLY	0	-0.006	-0.011	16.382	-0.022	-0.022	0.000	0.000	0.000
247	A	262	ALA	0	-0.027	-0.021	19.901	0.029	0.029	0.000	0.000	0.000
248	A	263	ALA	0	0.003	0.014	19.449	-0.019	-0.019	0.000	0.000	0.000
249	A	264	ALA	0	-0.044	-0.019	21.573	0.010	0.010	0.000	0.000	0.000
250	A	265	TYR	0	0.000	-0.004	19.358	-0.013	-0.013	0.000	0.000	0.000
251	A	266	TYR	0	-0.057	-0.040	24.629	0.006	0.006	0.000	0.000	0.000
252	A	267	VAL	0	0.002	-0.003	24.133	-0.014	-0.014	0.000	0.000	0.000
253	A	268	GLY	0	0.011	0.006	27.440	0.011	0.011	0.000	0.000	0.000
254	A	269	TYR	0	-0.024	-0.006	25.591	-0.003	-0.003	0.000	0.000	0.000
255	A	270	LEU	0	-0.051	-0.018	31.326	0.007	0.007	0.000	0.000	0.000
256	A	271	GLN	0	0.040	0.003	33.892	0.002	0.002	0.000	0.000	0.000
257	A	272	PRO	0	-0.003	0.011	37.068	0.000	0.000	0.000	0.000	0.000
258	A	273	ARG	1	0.823	0.901	39.736	0.049	0.049	0.000	0.000	0.000
259	A	274	THR	0	0.039	0.009	42.517	-0.005	-0.005	0.000	0.000	0.000
260	A	275	PHE	0	0.024	0.028	40.718	0.003	0.003	0.000	0.000	0.000
261	A	276	LEU	0	-0.011	-0.001	45.536	-0.002	-0.002	0.000	0.000	0.000
262	A	277	LEU	0	0.007	0.005	43.124	0.002	0.002	0.000	0.000	0.000
263	A	278	LYS	1	0.884	0.931	47.033	0.042	0.042	0.000	0.000	0.000
264	A	279	TYR	0	0.010	0.001	44.953	-0.002	-0.002	0.000	0.000	0.000
265	A	280	ASN	0	-0.055	-0.046	48.623	0.005	0.005	0.000	0.000	0.000
266	A	281	GLU	-1	-0.818	-0.890	50.404	-0.047	-0.047	0.000	0.000	0.000
267	A	282	ASN	0	-0.020	-0.035	48.068	-0.001	-0.001	0.000	0.000	0.000
268	A	283	GLY	0	0.007	0.017	47.624	-0.003	-0.003	0.000	0.000	0.000
269	A	284	THR	0	-0.080	-0.028	42.761	-0.004	-0.004	0.000	0.000	0.000
270	A	285	ILE	0	0.021	0.005	41.406	0.003	0.003	0.000	0.000	0.000
271	A	286	THR	0	-0.079	-0.040	45.113	0.002	0.002	0.000	0.000	0.000
272	A	287	ASP	-1	-0.824	-0.919	45.795	-0.033	-0.033	0.000	0.000	0.000
273	A	288	ALA	0	-0.035	-0.019	43.880	-0.003	-0.003	0.000	0.000	0.000
274	A	289	VAL	0	-0.002	0.012	45.967	0.002	0.002	0.000	0.000	0.000
275	A	290	ASP	-1	-0.749	-0.876	44.103	-0.047	-0.047	0.000	0.000	0.000
276	A	301	CYS	0	-0.080	-0.041	46.307	0.001	0.001	0.000	0.000	0.000
277	A	292	ALA	0	-0.001	-0.012	45.273	-0.001	-0.001	0.000	0.000	0.000
278	A	293	LEU	0	-0.044	0.005	44.692	0.001	0.001	0.000	0.000	0.000
279	A	294	ASP	-1	-0.777	-0.879	46.997	-0.021	-0.021	0.000	0.000	0.000
280	A	295	PRO	0	0.052	0.016	50.634	-0.002	-0.002	0.000	0.000	0.000
281	A	296	LEU	0	-0.030	-0.003	54.015	-0.001	-0.001	0.000	0.000	0.000
282	A	297	SER	0	-0.025	-0.044	49.851	-0.001	-0.001	0.000	0.000	0.000
283	A	298	GLU	-1	-0.829	-0.869	51.928	-0.032	-0.032	0.000	0.000	0.000
284	A	299	THR	0	-0.010	-0.008	53.138	-0.001	-0.001	0.000	0.000	0.000
285	A	300	LYS	1	0.875	0.929	52.889	0.026	0.026	0.000	0.000	0.000
286	A	302	THR	0	-0.013	-0.010	53.283	-0.002	-0.002	0.000	0.000	0.000
287	A	303	LEU	0	-0.038	-0.022	56.465	0.000	0.000	0.000	0.000	0.000
288	A	304	LYS	1	0.850	0.938	53.224	0.044	0.044	0.000	0.000	0.000
289	A	305	SER	0	0.010	-0.002	55.915	-0.001	-0.001	0.000	0.000	0.000
290	A	306	PHE	0	0.044	0.016	49.325	0.000	0.000	0.000	0.000	0.000
291	A	307	THR	0	-0.039	-0.012	54.951	0.002	0.002	0.000	0.000	0.000
292	A	308	VAL	0	0.010	0.014	58.078	-0.001	-0.001	0.000	0.000	0.000
293	A	309	GLU	-1	-0.882	-0.933	60.647	-0.020	-0.020	0.000	0.000	0.000
294	A	310	LYS	1	0.920	0.964	64.030	0.013	0.013	0.000	0.000	0.000
295	A	311	GLY	0	0.027	0.005	65.831	0.000	0.000	0.000	0.000	0.000
296	A	312	ILE	0	-0.035	-0.015	64.903	0.001	0.001	0.000	0.000	0.000
297	A	313	TYR	0	-0.002	-0.020	61.479	-0.001	-0.001	0.000	0.000	0.000
298	A	314	GLN	0	-0.069	-0.032	61.176	0.000	0.000	0.000	0.000	0.000
299	A	315	THR	0	-0.042	-0.039	56.338	-0.001	-0.001	0.000	0.000	0.000
300	A	316	SER	0	0.009	-0.003	55.694	-0.001	-0.001	0.000	0.000	0.000
301	A	317	ASN	0	-0.039	-0.029	57.118	0.001	0.001	0.000	0.000	0.000
302	A	318	PHE	0	0.022	0.020	56.435	0.000	0.000	0.000	0.000	0.000
303	H	1	GLU	-1	-0.847	-0.920	11.267	1.485	1.485	0.000	0.000	0.000
304	H	2	VAL	0	0.003	0.009	10.870	0.308	0.308	0.000	0.000	0.000
305	H	3	GLN	0	-0.050	-0.018	10.686	-0.020	-0.020	0.000	0.000	0.000
306	H	4	LEU	0	0.002	0.006	13.011	0.064	0.064	0.000	0.000	0.000
307	H	5	VAL	0	-0.055	-0.021	14.089	-0.042	-0.042	0.000	0.000	0.000
308	H	6	GLU	-1	-0.779	-0.887	16.434	0.395	0.395	0.000	0.000	0.000
309	H	7	SER	0	-0.028	-0.030	18.802	0.010	0.010	0.000	0.000	0.000
310	H	8	GLY	0	-0.029	-0.003	20.972	-0.027	-0.027	0.000	0.000	0.000
311	H	9	ALA	0	0.022	0.000	24.397	0.003	0.003	0.000	0.000	0.000
312	H	10	GLU	-1	-0.844	-0.933	24.941	0.147	0.147	0.000	0.000	0.000
313	H	11	VAL	0	0.000	0.006	29.302	-0.007	-0.007	0.000	0.000	0.000
314	H	12	LYS	1	0.852	0.927	29.967	-0.066	-0.066	0.000	0.000	0.000
315	H	13	LYS	1	0.847	0.907	34.155	-0.059	-0.059	0.000	0.000	0.000
316	H	14	PRO	0	0.021	0.005	36.378	0.000	0.000	0.000	0.000	0.000
317	H	15	GLY	0	-0.018	-0.009	37.913	-0.004	-0.004	0.000	0.000	0.000
318	H	16	ALA	0	-0.031	-0.007	33.757	-0.005	-0.005	0.000	0.000	0.000
319	H	17	SER	0	0.044	0.014	29.739	0.001	0.001	0.000	0.000	0.000
320	H	18	VAL	0	-0.081	-0.045	26.971	0.003	0.003	0.000	0.000	0.000
321	H	19	LYS	1	0.944	0.996	20.511	-0.025	-0.025	0.000	0.000	0.000
322	H	20	VAL	0	0.003	0.026	21.684	0.005	0.005	0.000	0.000	0.000
323	H	21	SER	0	-0.020	-0.021	17.337	-0.008	-0.008	0.000	0.000	0.000
324	H	96	CYS	0	0.021	0.016	16.573	0.026	0.026	0.000	0.000	0.000
325	H	23	LYS	1	0.941	0.988	12.108	-0.524	-0.524	0.000	0.000	0.000
326	H	24	VAL	0	0.020	0.017	8.739	0.029	0.029	0.000	0.000	0.000
327	H	25	SER	0	0.011	-0.005	8.250	0.050	0.050	0.000	0.000	0.000
328	H	26	GLY	0	-0.004	0.004	7.078	-0.420	-0.420	0.000	0.000	0.000
329	H	27	TYR	0	-0.082	-0.073	7.437	0.815	0.815	0.000	0.000	0.000
330	H	28	THR	0	-0.046	-0.012	5.263	-0.185	-0.185	0.000	0.000	0.000
331	H	29	LEU	0	0.022	-0.003	7.178	0.003	0.003	0.000	0.000	0.000
332	H	30	THR	0	-0.063	-0.033	8.203	-0.037	-0.037	0.000	0.000	0.000
333	H	31	GLU	-1	-0.779	-0.873	9.196	1.474	1.474	0.000	0.000	0.000
334	H	32	LEU	0	-0.028	-0.005	11.644	0.087	0.087	0.000	0.000	0.000
335	H	33	SER	0	0.019	0.015	14.117	-0.113	-0.113	0.000	0.000	0.000
336	H	34	MET	0	-0.031	0.001	15.196	0.070	0.070	0.000	0.000	0.000
337	H	35	HIS	0	0.066	0.020	18.256	-0.060	-0.060	0.000	0.000	0.000
338	H	36	TRP	0	0.020	0.010	19.122	0.042	0.042	0.000	0.000	0.000
339	H	37	VAL	0	-0.039	-0.020	23.830	-0.016	-0.016	0.000	0.000	0.000
340	H	38	ARG	1	0.842	0.926	26.840	-0.087	-0.087	0.000	0.000	0.000
341	H	39	GLN	0	0.054	0.024	29.557	-0.003	-0.003	0.000	0.000	0.000
342	H	40	ALA	0	0.023	0.010	31.674	-0.002	-0.002	0.000	0.000	0.000
343	H	41	PRO	0	0.024	0.008	34.868	0.004	0.004	0.000	0.000	0.000
344	H	42	GLY	0	-0.001	-0.005	36.549	-0.008	-0.008	0.000	0.000	0.000
345	H	43	LYS	1	0.879	0.942	37.117	-0.095	-0.095	0.000	0.000	0.000
346	H	44	GLY	0	0.034	0.023	35.641	0.007	0.007	0.000	0.000	0.000
347	H	45	LEU	0	-0.038	-0.008	29.246	0.001	0.001	0.000	0.000	0.000
348	H	46	GLU	-1	-0.820	-0.899	31.535	0.081	0.081	0.000	0.000	0.000
349	H	47	TRP	0	0.044	0.021	25.544	0.004	0.004	0.000	0.000	0.000
350	H	48	MET	0	-0.059	-0.039	26.623	-0.019	-0.019	0.000	0.000	0.000
351	H	49	GLY	0	0.002	-0.004	25.041	0.012	0.012	0.000	0.000	0.000
352	H	50	GLY	0	0.013	0.007	22.801	0.002	0.002	0.000	0.000	0.000
353	H	51	PHE	0	0.009	-0.016	18.384	-0.018	-0.018	0.000	0.000	0.000
354	H	52	ASP	-1	-0.780	-0.871	22.211	0.094	0.094	0.000	0.000	0.000
355	H	53	PRO	0	-0.032	-0.022	20.683	-0.023	-0.023	0.000	0.000	0.000
356	H	54	GLU	-1	-0.834	-0.879	21.878	-0.036	-0.036	0.000	0.000	0.000
357	H	55	ASP	-1	-0.924	-0.971	24.882	-0.049	-0.049	0.000	0.000	0.000
358	H	56	GLY	0	-0.068	-0.034	21.471	-0.027	-0.027	0.000	0.000	0.000
359	H	57	GLU	-1	-0.895	-0.946	21.460	-0.017	-0.017	0.000	0.000	0.000
360	H	58	THR	0	-0.037	-0.044	20.966	0.011	0.011	0.000	0.000	0.000
361	H	59	MET	0	-0.005	0.030	23.969	-0.004	-0.004	0.000	0.000	0.000
362	H	60	TYR	0	0.013	-0.010	24.569	0.013	0.013	0.000	0.000	0.000
363	H	61	ALA	0	0.011	0.012	29.056	-0.003	-0.003	0.000	0.000	0.000
364	H	62	GLN	0	0.011	-0.007	31.494	-0.001	-0.001	0.000	0.000	0.000
365	H	63	LYS	1	0.836	0.889	34.895	-0.079	-0.079	0.000	0.000	0.000
366	H	64	PHE	0	-0.041	-0.023	31.203	0.001	0.001	0.000	0.000	0.000
367	H	65	GLN	0	0.055	0.042	31.892	-0.002	-0.002	0.000	0.000	0.000
368	H	66	GLY	0	-0.001	0.001	32.082	-0.002	-0.002	0.000	0.000	0.000
369	H	67	ARG	1	0.736	0.858	32.552	-0.048	-0.048	0.000	0.000	0.000
370	H	68	VAL	0	-0.015	-0.006	26.588	0.003	0.003	0.000	0.000	0.000
371	H	69	THR	0	-0.016	0.003	25.404	-0.012	-0.012	0.000	0.000	0.000
372	H	70	MET	0	-0.004	0.009	20.673	0.025	0.025	0.000	0.000	0.000
373	H	71	THR	0	-0.020	-0.004	18.853	-0.035	-0.035	0.000	0.000	0.000
374	H	72	GLU	-1	-0.809	-0.895	13.920	-0.002	-0.002	0.000	0.000	0.000
375	H	73	ASP	-1	-0.786	-0.841	12.027	-0.494	-0.494	0.000	0.000	0.000
376	H	74	THR	0	0.008	-0.011	9.454	0.122	0.122	0.000	0.000	0.000
377	H	75	SER	0	-0.085	-0.054	7.881	-0.461	-0.461	0.000	0.000	0.000
378	H	76	THR	0	-0.102	-0.079	7.548	-0.052	-0.052	0.000	0.000	0.000
379	H	77	ASP	-1	-0.770	-0.873	5.690	-0.062	-0.062	0.000	0.000	0.000
380	H	78	THR	0	-0.034	-0.025	8.761	0.250	0.250	0.000	0.000	0.000
381	H	79	ALA	0	0.022	0.021	12.593	-0.108	-0.108	0.000	0.000	0.000
382	H	80	TYR	0	-0.043	-0.047	14.961	0.067	0.067	0.000	0.000	0.000
383	H	81	MET	0	0.004	0.013	19.061	-0.016	-0.016	0.000	0.000	0.000
384	H	82	GLU	-1	-0.893	-0.959	22.625	0.028	0.028	0.000	0.000	0.000
385	H	83	LEU	0	-0.006	0.008	25.623	-0.007	-0.007	0.000	0.000	0.000
386	H	84	SER	0	0.018	-0.017	29.037	-0.002	-0.002	0.000	0.000	0.000
387	H	85	SER	0	-0.014	-0.009	32.022	0.002	0.002	0.000	0.000	0.000
388	H	86	LEU	0	-0.024	0.005	31.389	0.004	0.004	0.000	0.000	0.000
389	H	87	ARG	1	0.875	0.915	35.474	-0.047	-0.047	0.000	0.000	0.000
390	H	88	SER	0	0.001	-0.031	37.685	0.003	0.003	0.000	0.000	0.000
391	H	89	GLU	-1	-0.824	-0.879	38.992	0.057	0.057	0.000	0.000	0.000
392	H	90	ASP	-1	-0.735	-0.856	33.565	0.070	0.070	0.000	0.000	0.000
393	H	91	THR	0	-0.069	-0.008	33.222	0.007	0.007	0.000	0.000	0.000
394	H	92	ALA	0	0.026	-0.005	31.686	-0.003	-0.003	0.000	0.000	0.000
395	H	93	VAL	0	0.000	0.015	27.346	0.000	0.000	0.000	0.000	0.000
396	H	94	TYR	0	-0.038	-0.031	25.353	-0.012	-0.012	0.000	0.000	0.000
397	H	95	TYR	0	0.014	-0.005	23.712	0.013	0.013	0.000	0.000	0.000
398	H	97	ALA	0	0.007	0.003	20.103	0.049	0.049	0.000	0.000	0.000
399	H	98	THR	0	0.008	-0.022	15.261	-0.010	-0.010	0.000	0.000	0.000
400	H	99	SER	0	0.015	-0.001	17.780	0.022	0.022	0.000	0.000	0.000
401	H	100	THR	0	-0.002	-0.006	14.867	0.016	0.016	0.000	0.000	0.000
402	H	101	ALA	0	-0.003	0.000	16.118	-0.043	-0.043	0.000	0.000	0.000
403	H	102	VAL	0	-0.016	-0.006	16.929	-0.053	-0.053	0.000	0.000	0.000
404	H	103	ALA	0	-0.017	-0.006	18.622	0.082	0.082	0.000	0.000	0.000
405	H	104	GLY	0	0.011	0.009	20.154	-0.048	-0.048	0.000	0.000	0.000
406	H	105	THR	0	-0.064	-0.067	18.286	0.074	0.074	0.000	0.000	0.000
407	H	106	PRO	0	-0.006	-0.015	16.402	-0.027	-0.027	0.000	0.000	0.000
408	H	107	ASP	-1	-0.882	-0.899	19.037	0.125	0.125	0.000	0.000	0.000
409	H	108	LEU	0	-0.061	-0.026	22.342	-0.021	-0.021	0.000	0.000	0.000
410	H	109	PHE	0	-0.003	-0.010	20.199	0.021	0.021	0.000	0.000	0.000
411	H	110	ASP	-1	-0.841	-0.910	22.893	0.183	0.183	0.000	0.000	0.000
412	H	111	TYR	0	-0.022	-0.034	21.715	0.025	0.025	0.000	0.000	0.000
413	H	112	TYR	0	-0.086	-0.055	21.059	-0.018	-0.018	0.000	0.000	0.000
414	H	113	TYR	0	-0.038	-0.020	22.369	0.002	0.002	0.000	0.000	0.000
415	H	114	GLY	0	0.037	0.001	23.986	0.007	0.007	0.000	0.000	0.000
416	H	115	MET	0	-0.082	-0.018	22.132	0.010	0.010	0.000	0.000	0.000
417	H	116	ASP	-1	-0.804	-0.899	19.443	0.427	0.427	0.000	0.000	0.000
418	H	117	VAL	0	-0.051	-0.026	16.816	0.009	0.009	0.000	0.000	0.000
419	H	118	TRP	0	0.019	-0.004	19.733	-0.047	-0.047	0.000	0.000	0.000
420	H	119	GLY	0	0.043	0.012	18.978	0.016	0.016	0.000	0.000	0.000
421	H	120	GLN	0	-0.077	-0.038	19.801	-0.040	-0.040	0.000	0.000	0.000
422	H	121	GLY	0	-0.032	-0.020	22.371	-0.029	-0.029	0.000	0.000	0.000
423	H	122	THR	0	-0.042	-0.002	22.702	0.014	0.014	0.000	0.000	0.000
424	H	123	THR	0	0.015	-0.004	25.375	-0.004	-0.004	0.000	0.000	0.000
425	H	124	VAL	0	-0.003	0.021	28.076	-0.007	-0.007	0.000	0.000	0.000
426	H	125	THR	0	-0.007	-0.027	30.540	0.000	0.000	0.000	0.000	0.000
427	H	126	VAL	0	-0.043	0.006	34.287	-0.005	-0.005	0.000	0.000	0.000
428	H	127	SER	0	0.021	-0.001	36.410	0.000	0.000	0.000	0.000	0.000
429	H	128	SER	0	0.010	-0.001	39.694	-0.001	-0.001	0.000	0.000	0.000
430	H	129	ALA	0	0.024	0.034	42.477	-0.004	-0.004	0.000	0.000	0.000
431	H	130	SER	0	0.027	0.006	41.340	0.002	0.002	0.000	0.000	0.000
432	H	131	THR	0	0.015	0.014	39.356	0.003	0.003	0.000	0.000	0.000
433	H	132	LYS	1	0.830	0.913	41.380	-0.065	-0.065	0.000	0.000	0.000
434	H	133	GLY	0	0.042	0.028	43.039	0.005	0.005	0.000	0.000	0.000
435	H	134	PRO	0	-0.008	-0.018	45.150	0.002	0.002	0.000	0.000	0.000
436	H	135	SER	0	0.003	-0.028	46.859	-0.003	-0.003	0.000	0.000	0.000
437	H	136	VAL	0	0.008	0.021	47.938	0.001	0.001	0.000	0.000	0.000
438	H	137	PHE	0	0.024	0.011	50.496	-0.004	-0.004	0.000	0.000	0.000
439	H	138	PRO	0	0.042	0.006	52.836	0.003	0.003	0.000	0.000	0.000
440	H	139	LEU	0	-0.023	-0.010	52.186	-0.003	-0.003	0.000	0.000	0.000
441	H	140	ALA	0	0.029	-0.005	55.026	0.002	0.002	0.000	0.000	0.000
442	H	141	PRO	0	-0.015	-0.005	56.010	-0.001	-0.001	0.000	0.000	0.000
443	H	142	SER	0	0.009	0.007	58.370	-0.002	-0.002	0.000	0.000	0.000
444	H	143	SER	0	0.026	0.014	61.748	0.002	0.002	0.000	0.000	0.000
445	H	144	LYS	1	0.922	0.968	63.509	-0.050	-0.050	0.000	0.000	0.000
446	H	145	SER	0	-0.014	-0.001	57.556	0.002	0.002	0.000	0.000	0.000
447	H	146	THR	0	0.036	0.003	58.100	0.003	0.003	0.000	0.000	0.000
448	H	147	SER	0	-0.049	-0.023	59.810	-0.002	-0.002	0.000	0.000	0.000
449	H	148	GLY	0	0.041	0.018	59.843	-0.002	-0.002	0.000	0.000	0.000
450	H	149	GLY	0	-0.026	-0.015	57.876	0.001	0.001	0.000	0.000	0.000
451	H	150	THR	0	-0.037	-0.019	52.711	0.003	0.003	0.000	0.000	0.000
452	H	151	ALA	0	-0.081	-0.022	54.776	-0.003	-0.003	0.000	0.000	0.000
453	H	152	ALA	0	0.012	0.006	53.208	0.003	0.003	0.000	0.000	0.000
454	H	153	LEU	0	-0.017	-0.006	51.677	-0.004	-0.004	0.000	0.000	0.000
455	H	154	GLY	0	0.020	0.013	50.148	0.005	0.005	0.000	0.000	0.000
456	H	211	CYS	0	-0.083	0.004	46.777	-0.001	-0.001	0.000	0.000	0.000
457	H	156	LEU	0	0.042	0.033	49.400	0.003	0.003	0.000	0.000	0.000
458	H	157	VAL	0	-0.030	-0.008	45.879	-0.002	-0.002	0.000	0.000	0.000
459	H	158	LYS	1	0.911	0.962	48.224	-0.063	-0.063	0.000	0.000	0.000
460	H	159	ASP	-1	-0.767	-0.868	48.123	0.058	0.058	0.000	0.000	0.000
461	H	160	TYR	0	-0.053	-0.024	42.698	-0.002	-0.002	0.000	0.000	0.000
462	H	161	PHE	0	0.111	0.034	37.425	0.002	0.002	0.000	0.000	0.000
463	H	162	PRO	0	-0.055	-0.022	39.648	0.000	0.000	0.000	0.000	0.000
464	H	163	GLU	-1	-0.779	-0.862	34.928	0.117	0.117	0.000	0.000	0.000
465	H	164	PRO	0	-0.006	0.020	33.578	0.001	0.001	0.000	0.000	0.000
466	H	165	VAL	0	0.028	-0.008	36.472	-0.008	-0.008	0.000	0.000	0.000
467	H	166	THR	0	-0.098	-0.060	36.678	0.008	0.008	0.000	0.000	0.000
468	H	167	VAL	0	0.073	0.046	38.645	0.003	0.003	0.000	0.000	0.000
469	H	168	SER	0	0.044	0.031	39.255	-0.002	-0.002	0.000	0.000	0.000
470	H	169	TRP	0	-0.100	-0.039	41.689	0.000	0.000	0.000	0.000	0.000
471	H	170	ASN	0	0.053	0.014	43.863	-0.006	-0.006	0.000	0.000	0.000
472	H	171	SER	0	0.001	0.000	41.558	0.005	0.005	0.000	0.000	0.000
473	H	172	GLY	0	0.001	-0.002	40.012	0.001	0.001	0.000	0.000	0.000
474	H	173	ALA	0	-0.003	0.009	40.765	0.002	0.002	0.000	0.000	0.000
475	H	174	LEU	0	-0.032	-0.011	44.065	-0.002	-0.002	0.000	0.000	0.000
476	H	175	THR	0	0.034	0.003	40.834	0.006	0.006	0.000	0.000	0.000
477	H	176	SER	0	-0.031	-0.002	42.965	0.003	0.003	0.000	0.000	0.000
478	H	177	GLY	0	0.039	0.029	45.684	-0.003	-0.003	0.000	0.000	0.000
479	H	178	VAL	0	0.017	0.014	42.435	-0.006	-0.006	0.000	0.000	0.000
480	H	179	HIS	0	0.003	0.002	44.051	0.003	0.003	0.000	0.000	0.000
481	H	180	THR	0	0.000	-0.003	41.133	-0.003	-0.003	0.000	0.000	0.000
482	H	181	PHE	0	0.024	0.021	42.694	0.004	0.004	0.000	0.000	0.000
483	H	182	PRO	0	-0.001	0.007	39.968	0.002	0.002	0.000	0.000	0.000
484	H	183	ALA	0	-0.038	-0.015	40.276	0.000	0.000	0.000	0.000	0.000
485	H	184	VAL	0	0.040	0.025	42.694	0.000	0.000	0.000	0.000	0.000
486	H	185	LEU	0	-0.001	0.001	39.769	-0.002	-0.002	0.000	0.000	0.000
487	H	186	GLN	0	0.039	0.003	44.098	-0.001	-0.001	0.000	0.000	0.000
488	H	187	SER	0	0.025	-0.003	47.038	0.001	0.001	0.000	0.000	0.000
489	H	188	SER	0	-0.030	-0.008	49.178	-0.001	-0.001	0.000	0.000	0.000
490	H	189	GLY	0	-0.008	0.002	44.716	-0.002	-0.002	0.000	0.000	0.000
491	H	190	LEU	0	-0.078	-0.024	43.821	0.002	0.002	0.000	0.000	0.000
492	H	191	TYR	0	-0.003	-0.025	37.404	0.000	0.000	0.000	0.000	0.000
493	H	192	SER	0	-0.045	-0.022	44.400	-0.006	-0.006	0.000	0.000	0.000
494	H	193	LEU	0	0.024	0.016	42.459	0.003	0.003	0.000	0.000	0.000
495	H	194	SER	0	0.039	0.016	46.234	-0.004	-0.004	0.000	0.000	0.000
496	H	195	SER	0	0.058	0.012	44.830	0.005	0.005	0.000	0.000	0.000
497	H	196	VAL	0	-0.013	-0.016	46.923	-0.003	-0.003	0.000	0.000	0.000
498	H	197	VAL	0	0.010	0.007	46.196	0.003	0.003	0.000	0.000	0.000
499	H	198	THR	0	-0.031	-0.033	48.749	-0.004	-0.004	0.000	0.000	0.000
500	H	199	VAL	0	0.002	0.009	49.385	0.002	0.002	0.000	0.000	0.000
501	H	200	PRO	0	0.078	0.028	50.175	-0.003	-0.003	0.000	0.000	0.000
502	H	201	SER	0	0.017	-0.005	53.361	-0.003	-0.003	0.000	0.000	0.000
503	H	202	SER	0	-0.009	-0.013	56.579	-0.002	-0.002	0.000	0.000	0.000
504	H	203	SER	0	0.057	0.052	53.692	0.000	0.000	0.000	0.000	0.000
505	H	204	LEU	0	-0.013	0.003	55.306	-0.001	-0.001	0.000	0.000	0.000
506	H	205	GLY	0	-0.018	-0.007	57.396	-0.001	-0.001	0.000	0.000	0.000
507	H	206	THR	0	-0.031	-0.012	57.936	-0.001	-0.001	0.000	0.000	0.000
508	H	207	GLN	0	-0.006	-0.017	51.099	0.001	0.001	0.000	0.000	0.000
509	H	208	THR	0	-0.017	-0.012	54.914	0.002	0.002	0.000	0.000	0.000
510	H	209	TYR	0	0.036	0.016	49.275	0.002	0.002	0.000	0.000	0.000
511	H	210	ILE	0	-0.058	-0.040	47.066	-0.004	-0.004	0.000	0.000	0.000
512	H	212	ASN	0	0.005	-0.020	42.594	-0.002	-0.002	0.000	0.000	0.000
513	H	213	VAL	0	-0.017	-0.006	42.552	0.006	0.006	0.000	0.000	0.000
514	H	214	ASN	0	-0.070	-0.044	39.376	-0.001	-0.001	0.000	0.000	0.000
515	H	215	HIS	0	0.022	0.001	39.196	0.009	0.009	0.000	0.000	0.000
516	H	216	LYS	1	0.931	0.962	34.256	-0.131	-0.131	0.000	0.000	0.000
517	H	217	PRO	0	0.031	0.033	34.793	-0.003	-0.003	0.000	0.000	0.000
518	H	218	SER	0	-0.008	-0.032	36.378	-0.004	-0.004	0.000	0.000	0.000
519	H	219	ASN	0	-0.012	-0.008	36.451	-0.003	-0.003	0.000	0.000	0.000
520	H	220	THR	0	-0.011	-0.004	40.006	-0.002	-0.002	0.000	0.000	0.000
521	H	221	LYS	1	0.905	0.971	37.713	-0.089	-0.089	0.000	0.000	0.000
522	H	222	VAL	0	0.013	0.014	42.989	-0.004	-0.004	0.000	0.000	0.000
523	H	223	ASP	-1	-0.809	-0.895	44.367	0.089	0.089	0.000	0.000	0.000
524	H	224	LYS	1	0.832	0.902	47.392	-0.062	-0.062	0.000	0.000	0.000
525	H	225	LYS	1	0.854	0.916	50.608	-0.065	-0.065	0.000	0.000	0.000
526	H	226	VAL	0	0.050	0.021	51.653	-0.001	-0.001	0.000	0.000	0.000
527	H	227	GLU	-1	-0.881	-0.919	54.483	0.056	0.056	0.000	0.000	0.000
528	H	228	PRO	0	-0.001	-0.029	57.905	0.000	0.000	0.000	0.000	0.000
529	H	229	LYS	1	0.835	0.941	59.715	-0.051	-0.051	0.000	0.000	0.000
530	L	1	GLU	-1	-0.904	-0.961	36.538	0.058	0.058	0.000	0.000	0.000
531	L	2	ILE	0	-0.076	-0.028	36.447	0.000	0.000	0.000	0.000	0.000
532	L	3	VAL	0	0.014	0.009	37.838	0.005	0.005	0.000	0.000	0.000
533	L	4	MET	0	-0.034	0.013	34.898	-0.001	-0.001	0.000	0.000	0.000
534	L	5	THR	0	-0.034	-0.020	40.343	-0.001	-0.001	0.000	0.000	0.000
535	L	6	GLN	0	-0.006	-0.009	37.680	0.005	0.005	0.000	0.000	0.000
536	L	7	SER	0	-0.023	0.006	42.325	-0.005	-0.005	0.000	0.000	0.000
537	L	8	PRO	0	0.037	0.015	43.220	-0.004	-0.004	0.000	0.000	0.000
538	L	9	LEU	0	0.010	0.007	42.978	-0.003	-0.003	0.000	0.000	0.000
539	L	10	SER	0	-0.033	-0.037	43.434	0.000	0.000	0.000	0.000	0.000
540	L	11	SER	0	0.006	0.019	43.570	0.004	0.004	0.000	0.000	0.000
541	L	12	PRO	0	0.020	0.020	44.567	0.003	0.003	0.000	0.000	0.000
542	L	13	VAL	0	0.033	0.019	41.601	-0.007	-0.007	0.000	0.000	0.000
543	L	14	THR	0	-0.015	-0.012	44.995	-0.001	-0.001	0.000	0.000	0.000
544	L	15	LEU	0	0.037	0.010	42.139	0.004	0.004	0.000	0.000	0.000
545	L	16	GLY	0	0.007	0.011	42.890	-0.006	-0.006	0.000	0.000	0.000
546	L	17	GLN	0	-0.022	0.000	44.051	0.000	0.000	0.000	0.000	0.000
547	L	18	PRO	0	-0.016	-0.013	42.239	0.007	0.007	0.000	0.000	0.000
548	L	19	ALA	0	-0.006	0.007	40.886	-0.006	-0.006	0.000	0.000	0.000
549	L	20	SER	0	-0.036	-0.031	41.585	0.003	0.003	0.000	0.000	0.000
550	L	21	ILE	0	-0.004	0.010	38.847	-0.006	-0.006	0.000	0.000	0.000
551	L	22	SER	0	-0.004	0.001	40.578	0.002	0.002	0.000	0.000	0.000
552	L	93	CYS	0	-0.025	0.001	32.689	0.009	0.009	0.000	0.000	0.000
553	L	24	ARG	1	0.874	0.935	40.710	-0.086	-0.086	0.000	0.000	0.000
554	L	25	SER	0	0.044	-0.007	39.940	0.005	0.005	0.000	0.000	0.000
555	L	26	SER	0	0.037	0.032	41.504	-0.001	-0.001	0.000	0.000	0.000
556	L	27	GLN	0	0.025	0.014	39.854	-0.005	-0.005	0.000	0.000	0.000
557	L	28	SER	0	-0.022	-0.006	40.986	0.005	0.005	0.000	0.000	0.000
558	L	29	LEU	0	0.016	0.008	35.805	-0.003	-0.003	0.000	0.000	0.000
559	L	30	VAL	0	-0.038	-0.005	35.342	0.010	0.010	0.000	0.000	0.000
560	L	31	HIS	0	0.079	0.056	29.523	-0.010	-0.010	0.000	0.000	0.000
561	L	32	SER	0	-0.034	-0.032	33.387	-0.006	-0.006	0.000	0.000	0.000
562	L	33	ASP	-1	-0.876	-0.940	30.899	0.092	0.092	0.000	0.000	0.000
563	L	34	GLY	0	-0.012	0.017	32.978	0.011	0.011	0.000	0.000	0.000
564	L	35	ASN	0	-0.057	-0.027	29.769	0.018	0.018	0.000	0.000	0.000
565	L	36	THR	0	-0.053	-0.053	32.659	-0.002	-0.002	0.000	0.000	0.000
566	L	37	TYR	0	0.074	0.043	26.280	0.021	0.021	0.000	0.000	0.000
567	L	38	LEU	0	-0.003	0.005	31.191	-0.005	-0.005	0.000	0.000	0.000
568	L	39	SER	0	-0.031	-0.031	28.203	0.026	0.026	0.000	0.000	0.000
569	L	40	TRP	0	-0.026	-0.006	30.283	-0.014	-0.014	0.000	0.000	0.000
570	L	41	LEU	0	0.025	0.015	26.565	0.018	0.018	0.000	0.000	0.000
571	L	42	GLN	0	-0.008	-0.018	28.986	-0.002	-0.002	0.000	0.000	0.000
572	L	43	GLN	0	-0.018	-0.004	29.046	0.016	0.016	0.000	0.000	0.000
573	L	44	ARG	1	0.821	0.891	29.740	-0.270	-0.270	0.000	0.000	0.000
574	L	45	PRO	0	0.033	0.017	31.528	0.005	0.005	0.000	0.000	0.000
575	L	46	GLY	0	-0.003	-0.006	31.802	0.006	0.006	0.000	0.000	0.000
576	L	47	GLN	0	-0.034	-0.009	27.263	0.019	0.019	0.000	0.000	0.000
577	L	48	PRO	0	0.039	0.027	23.440	-0.020	-0.020	0.000	0.000	0.000
578	L	49	PRO	0	-0.064	-0.038	25.925	0.000	0.000	0.000	0.000	0.000
579	L	50	ARG	1	0.937	0.965	24.511	-0.299	-0.299	0.000	0.000	0.000
580	L	51	LEU	0	0.011	0.014	23.273	-0.033	-0.033	0.000	0.000	0.000
581	L	52	LEU	0	-0.030	-0.019	25.932	0.008	0.008	0.000	0.000	0.000
582	L	53	ILE	0	-0.049	-0.015	27.657	0.015	0.015	0.000	0.000	0.000
583	L	54	TYR	0	0.078	0.024	24.646	-0.008	-0.008	0.000	0.000	0.000
584	L	55	LYS	1	0.851	0.918	26.737	-0.215	-0.215	0.000	0.000	0.000
585	L	56	ILE	0	-0.013	0.012	29.923	-0.007	-0.007	0.000	0.000	0.000
586	L	57	SER	0	-0.048	-0.038	32.673	0.000	0.000	0.000	0.000	0.000
587	L	58	ASN	0	0.009	0.016	27.811	0.006	0.006	0.000	0.000	0.000
588	L	59	ARG	1	0.841	0.887	27.622	-0.260	-0.260	0.000	0.000	0.000
589	L	60	PHE	0	0.062	0.044	19.527	0.012	0.012	0.000	0.000	0.000
590	L	61	SER	0	0.038	0.008	19.466	-0.041	-0.041	0.000	0.000	0.000
591	L	62	GLY	0	0.010	0.009	22.036	0.017	0.017	0.000	0.000	0.000
592	L	63	VAL	0	-0.044	-0.003	23.488	-0.026	-0.026	0.000	0.000	0.000
593	L	64	PRO	0	-0.030	-0.005	26.860	-0.008	-0.008	0.000	0.000	0.000
594	L	65	ASP	-1	-0.894	-0.957	29.451	0.207	0.207	0.000	0.000	0.000
595	L	66	ARG	1	0.836	0.913	31.713	-0.225	-0.225	0.000	0.000	0.000
596	L	67	PHE	0	-0.014	-0.011	31.540	-0.012	-0.012	0.000	0.000	0.000
597	L	68	SER	0	-0.011	-0.015	34.186	0.000	0.000	0.000	0.000	0.000
598	L	69	GLY	0	0.069	0.046	35.397	-0.002	-0.002	0.000	0.000	0.000
599	L	70	SER	0	-0.074	-0.053	36.216	-0.008	-0.008	0.000	0.000	0.000
600	L	71	GLY	0	0.036	0.024	39.370	0.002	0.002	0.000	0.000	0.000
601	L	72	ALA	0	0.035	0.004	39.809	0.005	0.005	0.000	0.000	0.000
602	L	73	GLY	0	0.036	0.033	39.926	-0.005	-0.005	0.000	0.000	0.000
603	L	74	THR	0	-0.047	-0.040	40.550	-0.002	-0.002	0.000	0.000	0.000
604	L	75	ASP	-1	-0.904	-0.933	42.297	0.098	0.098	0.000	0.000	0.000
605	L	76	PHE	0	0.057	0.025	37.965	0.004	0.004	0.000	0.000	0.000
606	L	77	THR	0	-0.021	-0.025	39.623	-0.004	-0.004	0.000	0.000	0.000
607	L	78	LEU	0	-0.002	0.034	33.935	0.006	0.006	0.000	0.000	0.000
608	L	79	LYS	1	0.946	0.952	37.772	-0.139	-0.139	0.000	0.000	0.000
609	L	80	ILE	0	0.021	0.040	36.085	0.008	0.008	0.000	0.000	0.000
610	L	81	SER	0	-0.029	-0.029	38.116	-0.015	-0.015	0.000	0.000	0.000
611	L	82	ARG	1	0.814	0.877	37.701	-0.155	-0.155	0.000	0.000	0.000
612	L	83	VAL	0	0.034	0.032	38.749	0.007	0.007	0.000	0.000	0.000
613	L	84	GLU	-1	-0.771	-0.872	36.666	0.171	0.171	0.000	0.000	0.000
614	L	85	ALA	0	0.015	0.007	37.350	-0.002	-0.002	0.000	0.000	0.000
615	L	86	GLU	-1	-0.836	-0.882	29.693	0.275	0.275	0.000	0.000	0.000
616	L	87	ASP	-1	-0.769	-0.863	32.744	0.232	0.232	0.000	0.000	0.000
617	L	88	VAL	0	-0.035	-0.008	34.733	-0.010	-0.010	0.000	0.000	0.000
618	L	89	GLY	0	0.031	0.007	34.472	0.011	0.011	0.000	0.000	0.000
619	L	90	VAL	0	-0.063	-0.028	33.948	-0.014	-0.014	0.000	0.000	0.000
620	L	91	TYR	0	-0.012	-0.013	33.649	0.020	0.020	0.000	0.000	0.000
621	L	92	TYR	0	-0.003	-0.002	32.144	-0.019	-0.019	0.000	0.000	0.000
622	L	94	THR	0	0.030	-0.002	28.544	-0.011	-0.011	0.000	0.000	0.000
623	L	95	GLN	0	-0.013	-0.003	31.897	0.008	0.008	0.000	0.000	0.000
624	L	96	ALA	0	0.000	-0.005	27.504	0.005	0.005	0.000	0.000	0.000
625	L	97	THR	0	0.026	0.002	29.128	0.002	0.002	0.000	0.000	0.000
626	L	98	GLN	0	-0.017	-0.020	31.816	-0.003	-0.003	0.000	0.000	0.000
627	L	99	PHE	0	0.026	0.016	25.709	0.001	0.001	0.000	0.000	0.000
628	L	100	PRO	0	0.021	0.010	29.711	0.009	0.009	0.000	0.000	0.000
629	L	101	TYR	0	-0.032	0.016	25.526	0.005	0.005	0.000	0.000	0.000
630	L	102	THR	0	-0.006	-0.031	31.236	-0.001	-0.001	0.000	0.000	0.000
631	L	103	PHE	0	0.018	-0.001	27.769	0.011	0.011	0.000	0.000	0.000
632	L	104	GLY	0	0.067	0.021	33.772	-0.010	-0.010	0.000	0.000	0.000
633	L	105	GLN	0	-0.032	-0.026	36.898	0.000	0.000	0.000	0.000	0.000
634	L	106	GLY	0	0.009	0.013	37.430	-0.002	-0.002	0.000	0.000	0.000
635	L	107	THR	0	-0.015	-0.039	38.155	-0.010	-0.010	0.000	0.000	0.000
636	L	108	LYS	1	0.867	0.958	38.293	-0.116	-0.116	0.000	0.000	0.000
637	L	109	VAL	0	0.021	0.015	38.196	-0.006	-0.006	0.000	0.000	0.000
638	L	110	ASP	-1	-0.828	-0.923	39.582	0.128	0.128	0.000	0.000	0.000
639	L	111	ILE	0	0.042	0.024	40.696	-0.002	-0.002	0.000	0.000	0.000
640	L	112	LYS	1	0.859	0.942	43.985	-0.104	-0.104	0.000	0.000	0.000
641	L	113	ARG	1	0.862	0.926	47.657	-0.104	-0.104	0.000	0.000	0.000
642	L	114	THR	0	0.001	-0.013	49.378	-0.002	-0.002	0.000	0.000	0.000
643	L	115	VAL	0	0.012	0.010	52.930	0.002	0.002	0.000	0.000	0.000
644	L	116	ALA	0	-0.022	-0.014	53.818	-0.003	-0.003	0.000	0.000	0.000
645	L	117	ALA	0	0.041	0.027	55.703	0.000	0.000	0.000	0.000	0.000
646	L	118	PRO	0	-0.004	0.012	55.034	0.002	0.002	0.000	0.000	0.000
647	L	119	SER	0	-0.068	-0.037	54.544	-0.002	-0.002	0.000	0.000	0.000
648	L	120	VAL	0	0.039	0.017	55.619	0.002	0.002	0.000	0.000	0.000
649	L	121	PHE	0	-0.028	-0.022	55.372	-0.002	-0.002	0.000	0.000	0.000
650	L	122	ILE	0	-0.011	0.019	57.086	0.001	0.001	0.000	0.000	0.000
651	L	123	PHE	0	0.008	0.000	55.201	0.001	0.001	0.000	0.000	0.000
652	L	124	PRO	0	-0.009	0.004	58.094	0.000	0.000	0.000	0.000	0.000
653	L	125	PRO	0	0.032	0.011	58.193	0.002	0.002	0.000	0.000	0.000
654	L	126	SER	0	-0.001	-0.022	56.897	-0.001	-0.001	0.000	0.000	0.000
655	L	127	ASP	-1	-0.748	-0.877	58.954	0.044	0.044	0.000	0.000	0.000
656	L	128	GLU	-1	-0.838	-0.887	55.869	0.052	0.052	0.000	0.000	0.000
657	L	129	GLN	0	0.054	0.028	54.833	-0.001	-0.001	0.000	0.000	0.000
658	L	130	LEU	0	-0.010	-0.008	58.422	-0.001	-0.001	0.000	0.000	0.000
659	L	131	LYS	1	0.845	0.909	60.757	-0.043	-0.043	0.000	0.000	0.000
660	L	132	SER	0	0.005	0.012	56.265	-0.002	-0.002	0.000	0.000	0.000
661	L	133	GLY	0	0.014	0.017	57.311	0.000	0.000	0.000	0.000	0.000
662	L	134	THR	0	-0.029	-0.027	55.722	-0.001	-0.001	0.000	0.000	0.000
663	L	135	ALA	0	-0.046	-0.006	56.683	0.002	0.002	0.000	0.000	0.000
664	L	136	SER	0	-0.049	-0.030	54.793	0.001	0.001	0.000	0.000	0.000
665	L	137	VAL	0	0.001	0.012	56.832	-0.001	-0.001	0.000	0.000	0.000
666	L	138	VAL	0	0.024	0.012	52.729	0.001	0.001	0.000	0.000	0.000
667	L	199	CYS	0	-0.045	-0.005	55.063	-0.002	-0.002	0.000	0.000	0.000
668	L	140	LEU	0	-0.006	0.008	50.275	0.002	0.002	0.000	0.000	0.000
669	L	141	LEU	0	0.001	-0.004	52.989	-0.002	-0.002	0.000	0.000	0.000
670	L	142	ASN	0	0.020	0.006	49.504	0.007	0.007	0.000	0.000	0.000
671	L	143	ASN	0	-0.016	-0.015	50.265	0.000	0.000	0.000	0.000	0.000
672	L	144	PHE	0	0.045	0.019	50.185	-0.004	-0.004	0.000	0.000	0.000
673	L	145	TYR	0	0.023	0.014	46.641	0.004	0.004	0.000	0.000	0.000
674	L	146	PRO	0	-0.020	0.007	45.994	-0.005	-0.005	0.000	0.000	0.000
675	L	147	ARG	1	0.866	0.921	45.540	-0.094	-0.094	0.000	0.000	0.000
676	L	148	GLU	-1	-0.874	-0.934	51.390	0.077	0.077	0.000	0.000	0.000
677	L	149	ALA	0	-0.083	-0.032	53.071	-0.002	-0.002	0.000	0.000	0.000
678	L	150	LYS	0	0.046	0.005	55.046	0.000	0.000	0.000	0.000	0.000
679	L	151	VAL	0	0.012	0.016	54.289	-0.001	-0.001	0.000	0.000	0.000
680	L	152	GLN	0	0.001	-0.009	57.415	-0.002	-0.002	0.000	0.000	0.000
681	L	153	TRP	0	0.046	0.024	56.106	-0.001	-0.001	0.000	0.000	0.000
682	L	154	LYS	1	0.799	0.904	61.251	-0.049	-0.049	0.000	0.000	0.000
683	L	155	VAL	0	0.029	0.017	62.508	-0.001	-0.001	0.000	0.000	0.000
684	L	156	ASP	-1	-0.781	-0.896	65.001	0.041	0.041	0.000	0.000	0.000
685	L	157	ASN	0	-0.080	-0.073	67.590	-0.001	-0.001	0.000	0.000	0.000
686	L	158	ALA	0	0.012	0.005	67.876	-0.001	-0.001	0.000	0.000	0.000
687	L	159	LEU	0	-0.018	-0.001	63.843	0.000	0.000	0.000	0.000	0.000
688	L	160	GLN	0	-0.012	0.002	63.578	0.000	0.000	0.000	0.000	0.000
689	L	161	SER	0	0.047	0.009	60.287	0.002	0.002	0.000	0.000	0.000
690	L	162	GLY	0	0.027	0.016	58.265	-0.002	-0.002	0.000	0.000	0.000
691	L	163	ASN	0	-0.047	-0.033	57.372	0.000	0.000	0.000	0.000	0.000
692	L	164	SER	0	-0.011	-0.001	54.882	-0.001	-0.001	0.000	0.000	0.000
693	L	165	GLN	0	0.014	0.012	48.122	-0.002	-0.002	0.000	0.000	0.000
694	L	166	GLU	-1	-0.896	-0.947	50.181	0.067	0.067	0.000	0.000	0.000
695	L	167	SER	-1	-0.813	-0.881	45.711	0.091	0.091	0.000	0.000	0.000
696	L	168	VAL	0	-0.089	-0.056	45.767	-0.002	-0.002	0.000	0.000	0.000
697	L	169	THR	0	-0.065	-0.041	42.618	0.006	0.006	0.000	0.000	0.000
698	L	170	GLU	-1	-0.890	-0.960	37.485	0.159	0.159	0.000	0.000	0.000
699	L	171	GLN	0	-0.035	-0.031	41.163	-0.010	-0.010	0.000	0.000	0.000
700	L	172	ASP	-1	-0.840	-0.920	40.914	0.130	0.130	0.000	0.000	0.000
701	L	173	SER	0	0.049	0.017	38.677	0.003	0.003	0.000	0.000	0.000
702	L	174	LYS	1	0.775	0.881	40.705	-0.104	-0.104	0.000	0.000	0.000
703	L	175	ASP	-1	-0.825	-0.901	43.834	0.094	0.094	0.000	0.000	0.000
704	L	176	SER	0	-0.041	-0.020	43.812	-0.001	-0.001	0.000	0.000	0.000
705	L	177	THR	0	-0.046	-0.011	44.806	-0.002	-0.002	0.000	0.000	0.000
706	L	178	TYR	0	0.080	0.018	42.529	0.005	0.005	0.000	0.000	0.000
707	L	179	SER	0	-0.041	-0.017	46.573	-0.003	-0.003	0.000	0.000	0.000
708	L	180	LEU	0	-0.035	-0.020	47.538	0.003	0.003	0.000	0.000	0.000
709	L	181	SER	0	-0.070	-0.033	48.813	-0.003	-0.003	0.000	0.000	0.000
710	L	182	SER	-1	-0.671	-0.826	50.862	0.071	0.071	0.000	0.000	0.000
711	L	183	THR	0	-0.121	-0.100	50.158	-0.002	-0.002	0.000	0.000	0.000
712	L	184	LEU	0	0.027	0.034	53.304	-0.002	-0.002	0.000	0.000	0.000
713	L	185	THR	0	-0.076	-0.047	53.777	0.000	0.000	0.000	0.000	0.000
714	L	186	LEU	0	0.031	0.022	57.061	-0.002	-0.002	0.000	0.000	0.000
715	L	187	SER	0	0.061	0.031	59.836	0.001	0.001	0.000	0.000	0.000
716	L	188	LYS	1	0.746	0.872	61.116	-0.042	-0.042	0.000	0.000	0.000
717	L	189	ALA	0	0.003	0.000	62.968	0.000	0.000	0.000	0.000	0.000
718	L	190	ASP	-1	-0.854	-0.919	64.382	0.036	0.036	0.000	0.000	0.000
719	L	191	TYR	0	0.018	0.005	58.349	0.000	0.000	0.000	0.000	0.000
720	L	192	GLU	-1	-0.744	-0.879	64.069	0.042	0.042	0.000	0.000	0.000
721	L	193	LYS	1	0.791	0.914	67.084	-0.037	-0.037	0.000	0.000	0.000
722	L	194	HIS	1	0.819	0.899	66.448	-0.040	-0.040	0.000	0.000	0.000
723	L	195	LYS	1	0.781	0.872	68.674	-0.040	-0.040	0.000	0.000	0.000
724	L	196	VAL	0	0.026	0.027	67.933	0.001	0.001	0.000	0.000	0.000
725	L	197	TYR	0	0.026	0.012	63.293	0.000	0.000	0.000	0.000	0.000
726	L	198	ALA	0	0.015	-0.017	63.675	0.001	0.001	0.000	0.000	0.000
727	L	200	GLU	-1	-0.843	-0.917	61.736	0.048	0.048	0.000	0.000	0.000
728	L	201	VAL	0	0.004	0.006	57.969	0.000	0.000	0.000	0.000	0.000
729	L	202	THR	0	0.003	-0.005	60.244	-0.002	-0.002	0.000	0.000	0.000
730	L	203	HIS	0	0.038	0.017	55.177	0.000	0.000	0.000	0.000	0.000
731	L	204	GLN	0	0.027	0.011	57.396	-0.002	-0.002	0.000	0.000	0.000
732	L	205	GLY	0	0.038	0.007	57.448	-0.001	-0.001	0.000	0.000	0.000
733	L	206	LEU	0	-0.093	-0.030	58.416	0.000	0.000	0.000	0.000	0.000
734	L	207	SER	0	0.010	0.007	61.479	-0.001	-0.001	0.000	0.000	0.000
735	L	208	SER	0	-0.033	-0.029	64.644	-0.003	-0.003	0.000	0.000	0.000
736	L	209	PRO	0	0.012	0.021	63.428	0.002	0.002	0.000	0.000	0.000
737	L	210	VAL	0	0.000	0.009	60.212	-0.001	-0.001	0.000	0.000	0.000
738	L	211	THR	0	0.025	0.002	63.195	0.000	0.000	0.000	0.000	0.000
739	L	212	LYS	1	0.820	0.919	59.453	-0.063	-0.063	0.000	0.000	0.000
740	L	213	SER	0	0.024	0.002	62.538	0.000	0.000	0.000	0.000	0.000
741	L	214	PHE	0	-0.037	-0.029	62.508	0.001	0.001	0.000	0.000	0.000
742	L	215	ASN	0	-0.040	-0.017	64.499	0.000	0.000	0.000	0.000	0.000
743	L	216	ARG	1	0.898	0.940	65.255	-0.039	-0.039	0.000	0.000	0.000
744	L	217	GLY	0	-0.009	0.010	65.209	-0.002	-0.002	0.000	0.000	0.000
745	L	218	GLU	-1	-0.775	-0.872	66.067	0.042	0.042	0.000	0.000	0.000
746	L	219	CYS	0	0.008	-0.001	65.131	0.001	0.001	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:14:GLN )