FMO DATABASE

FMODB ID: MVNQZ

Calculation Name: 2E1V-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2E1V

Chain ID: A

ChEMBL ID:

UniProt ID: A4PHY4

Base Structure: X-ray

Registration Date: 2023-06-22

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	444
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8399236.098928
FMO2-HF: Nuclear repulsion	8223591.439633
FMO2-HF: Total energy	-175644.659295
FMO2-MP2: Total energy	-176154.10705

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:6:ILE)

Summations of interaction energy for fragment #1(A:6:ILE)

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.
-4.278	1.349	0.698	-2.131	-4.193	-0.002

Interaction energy analysis for fragmet #1(A:6:ILE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.022 / q_NPA : -0.006

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	8	THR	0	-0.040	-0.013	3.832	0.282	2.359	-0.025	-1.040	-1.013	0.001
4	A	9	VAL	0	0.007	-0.006	6.176	-0.300	-0.300	0.000	0.000	0.000	0.000
5	A	10	LEU	0	-0.038	-0.013	9.838	0.049	0.049	0.000	0.000	0.000	0.000
6	A	11	GLU	-1	-0.822	-0.896	12.227	-0.007	-0.007	0.000	0.000	0.000	0.000
7	A	12	GLN	0	0.013	0.035	13.252	-0.055	-0.055	0.000	0.000	0.000	0.000
8	A	13	SER	0	-0.039	-0.018	16.897	0.005	0.005	0.000	0.000	0.000	0.000
9	A	14	GLN	0	0.037	0.013	20.178	-0.008	-0.008	0.000	0.000	0.000	0.000
10	A	15	VAL	0	-0.009	-0.003	22.614	-0.001	-0.001	0.000	0.000	0.000	0.000
11	A	16	SER	0	0.045	0.007	25.125	0.001	0.001	0.000	0.000	0.000	0.000
12	A	17	PRO	0	-0.027	0.003	28.755	-0.005	-0.005	0.000	0.000	0.000	0.000
13	A	18	PRO	0	-0.021	0.000	31.728	0.003	0.003	0.000	0.000	0.000	0.000
14	A	19	PRO	0	0.013	0.022	33.781	0.001	0.001	0.000	0.000	0.000	0.000
15	A	20	ASP	-1	-0.896	-0.951	36.308	-0.012	-0.012	0.000	0.000	0.000	0.000
16	A	21	THR	0	-0.091	-0.058	36.003	-0.003	-0.003	0.000	0.000	0.000	0.000
17	A	22	LEU	0	-0.054	-0.029	34.248	-0.001	-0.001	0.000	0.000	0.000	0.000
18	A	23	GLY	0	0.059	0.046	37.803	0.002	0.002	0.000	0.000	0.000	0.000
19	A	24	ASP	-1	-0.821	-0.923	37.919	-0.005	-0.005	0.000	0.000	0.000	0.000
20	A	25	LYS	1	0.844	0.929	37.385	0.018	0.018	0.000	0.000	0.000	0.000
21	A	26	SER	0	0.040	0.015	37.129	0.000	0.000	0.000	0.000	0.000	0.000
22	A	27	LEU	0	-0.094	-0.021	35.556	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	28	GLN	0	-0.020	-0.013	37.798	0.001	0.001	0.000	0.000	0.000	0.000
24	A	29	LEU	0	0.001	0.000	34.519	-0.003	-0.003	0.000	0.000	0.000	0.000
25	A	30	THR	0	-0.020	-0.021	38.272	0.001	0.001	0.000	0.000	0.000	0.000
26	A	31	PHE	0	0.079	0.010	38.208	0.000	0.000	0.000	0.000	0.000	0.000
27	A	32	PHE	0	-0.004	0.003	36.583	-0.001	-0.001	0.000	0.000	0.000	0.000
28	A	33	ASP	-1	-0.775	-0.871	34.049	-0.033	-0.033	0.000	0.000	0.000	0.000
29	A	34	PHE	0	0.029	-0.003	33.649	0.000	0.000	0.000	0.000	0.000	0.000
30	A	35	PHE	0	-0.028	-0.005	32.440	0.003	0.003	0.000	0.000	0.000	0.000
31	A	36	TRP	0	-0.009	-0.005	29.194	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	37	LEU	0	0.012	0.016	29.530	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	38	ARG	1	0.718	0.821	28.825	-0.002	-0.002	0.000	0.000	0.000	0.000
34	A	39	SER	0	-0.080	-0.038	26.372	-0.001	-0.001	0.000	0.000	0.000	0.000
35	A	40	PRO	0	0.015	0.018	21.096	0.004	0.004	0.000	0.000	0.000	0.000
36	A	41	PRO	0	-0.003	-0.011	19.106	-0.004	-0.004	0.000	0.000	0.000	0.000
37	A	42	ILE	0	-0.049	-0.015	20.337	-0.007	-0.007	0.000	0.000	0.000	0.000
38	A	43	ASN	0	0.003	-0.014	15.315	0.006	0.006	0.000	0.000	0.000	0.000
39	A	44	ASN	0	-0.051	-0.032	17.374	-0.006	-0.006	0.000	0.000	0.000	0.000
40	A	45	LEU	0	0.060	0.042	11.342	0.001	0.001	0.000	0.000	0.000	0.000
41	A	46	PHE	0	-0.046	-0.019	15.779	0.032	0.032	0.000	0.000	0.000	0.000
42	A	47	PHE	0	0.044	0.025	10.470	-0.013	-0.013	0.000	0.000	0.000	0.000
43	A	48	TYR	0	-0.023	-0.036	15.706	0.043	0.043	0.000	0.000	0.000	0.000
44	A	49	GLU	-1	-0.764	-0.865	16.050	-0.293	-0.293	0.000	0.000	0.000	0.000
45	A	50	LEU	0	-0.008	-0.021	17.321	0.032	0.032	0.000	0.000	0.000	0.000
46	A	51	PRO	0	0.013	0.033	17.030	-0.029	-0.029	0.000	0.000	0.000	0.000
47	A	52	ILE	0	-0.032	-0.015	14.842	0.027	0.027	0.000	0.000	0.000	0.000
48	A	53	THR	0	0.065	0.028	15.159	-0.035	-0.035	0.000	0.000	0.000	0.000
49	A	54	ARG	1	0.892	0.892	8.482	0.440	0.440	0.000	0.000	0.000	0.000
50	A	55	SER	0	0.017	0.014	14.802	0.009	0.009	0.000	0.000	0.000	0.000
51	A	56	GLN	0	0.046	0.045	18.428	0.017	0.017	0.000	0.000	0.000	0.000
52	A	57	PHE	0	0.018	0.002	14.318	0.004	0.004	0.000	0.000	0.000	0.000
53	A	58	THR	0	-0.019	-0.017	16.722	0.010	0.010	0.000	0.000	0.000	0.000
54	A	59	GLU	-1	-0.902	-0.958	18.559	-0.073	-0.073	0.000	0.000	0.000	0.000
55	A	60	THR	0	-0.057	-0.043	21.504	0.006	0.006	0.000	0.000	0.000	0.000
56	A	61	VAL	0	-0.033	0.000	17.838	0.005	0.005	0.000	0.000	0.000	0.000
57	A	62	VAL	0	0.026	0.014	17.320	0.006	0.006	0.000	0.000	0.000	0.000
58	A	63	PRO	0	0.006	0.004	20.042	0.009	0.009	0.000	0.000	0.000	0.000
59	A	64	ASN	0	0.051	0.030	23.520	0.016	0.016	0.000	0.000	0.000	0.000
60	A	65	ILE	0	-0.013	0.022	19.420	0.005	0.005	0.000	0.000	0.000	0.000
61	A	66	LYS	1	0.834	0.896	20.634	0.055	0.055	0.000	0.000	0.000	0.000
62	A	67	HIS	0	0.023	0.015	24.254	0.007	0.007	0.000	0.000	0.000	0.000
63	A	68	SER	0	0.032	-0.007	25.461	0.003	0.003	0.000	0.000	0.000	0.000
64	A	69	LEU	0	-0.029	0.011	22.779	0.004	0.004	0.000	0.000	0.000	0.000
65	A	70	SER	0	0.006	-0.018	26.466	0.006	0.006	0.000	0.000	0.000	0.000
66	A	71	ILE	0	-0.004	-0.010	28.845	0.005	0.005	0.000	0.000	0.000	0.000
67	A	72	THR	0	-0.040	-0.048	28.719	0.002	0.002	0.000	0.000	0.000	0.000
68	A	73	LEU	0	0.006	-0.014	26.392	0.002	0.002	0.000	0.000	0.000	0.000
69	A	74	LYS	1	0.854	0.934	30.654	0.042	0.042	0.000	0.000	0.000	0.000
70	A	75	HIS	0	-0.058	-0.044	33.708	0.004	0.004	0.000	0.000	0.000	0.000
71	A	76	PHE	0	-0.047	-0.018	31.092	0.000	0.000	0.000	0.000	0.000	0.000
72	A	77	TYR	0	0.060	0.005	31.340	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	78	PRO	0	-0.016	-0.005	31.896	0.001	0.001	0.000	0.000	0.000	0.000
74	A	79	PHE	0	-0.018	-0.017	26.020	0.001	0.001	0.000	0.000	0.000	0.000
75	A	80	VAL	0	0.009	0.020	26.795	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	81	GLY	0	0.009	0.015	28.551	0.006	0.006	0.000	0.000	0.000	0.000
77	A	82	LYS	1	0.807	0.870	26.574	-0.001	-0.001	0.000	0.000	0.000	0.000
78	A	83	LEU	0	0.001	0.002	29.324	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	84	VAL	0	0.004	-0.003	31.187	0.004	0.004	0.000	0.000	0.000	0.000
80	A	85	VAL	0	0.014	0.009	32.662	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	86	TYR	0	-0.018	-0.050	35.190	0.004	0.004	0.000	0.000	0.000	0.000
82	A	87	PRO	0	0.047	0.027	38.313	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	88	ALA	0	-0.016	-0.004	39.527	0.000	0.000	0.000	0.000	0.000	0.000
84	A	89	PRO	0	0.022	0.002	42.349	-0.001	-0.001	0.000	0.000	0.000	0.000
85	A	90	THR	0	-0.068	-0.017	43.623	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	91	LYS	1	0.898	0.955	41.005	-0.004	-0.004	0.000	0.000	0.000	0.000
87	A	92	LYS	1	0.903	0.941	40.766	0.011	0.011	0.000	0.000	0.000	0.000
88	A	93	PRO	0	0.008	0.005	35.360	0.000	0.000	0.000	0.000	0.000	0.000
89	A	94	GLU	-1	-0.791	-0.861	36.353	-0.008	-0.008	0.000	0.000	0.000	0.000
90	A	95	ILE	0	-0.033	-0.007	32.041	0.001	0.001	0.000	0.000	0.000	0.000
91	A	96	CYS	0	-0.017	-0.003	33.759	0.000	0.000	0.000	0.000	0.000	0.000
92	A	97	TYR	0	-0.041	-0.024	31.754	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	98	VAL	0	-0.028	-0.009	33.490	0.001	0.001	0.000	0.000	0.000	0.000
94	A	99	GLU	-1	-0.891	-0.947	33.610	-0.007	-0.007	0.000	0.000	0.000	0.000
95	A	100	GLY	0	-0.004	-0.005	32.336	0.003	0.003	0.000	0.000	0.000	0.000
96	A	101	ASP	-1	-0.864	-0.902	29.495	0.001	0.001	0.000	0.000	0.000	0.000
97	A	102	SER	0	-0.019	-0.020	24.762	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	103	VAL	0	-0.066	-0.030	21.802	0.001	0.001	0.000	0.000	0.000	0.000
99	A	104	ALA	0	0.017	0.016	18.801	0.001	0.001	0.000	0.000	0.000	0.000
100	A	105	VAL	0	-0.017	-0.015	18.144	-0.018	-0.018	0.000	0.000	0.000	0.000
101	A	106	THR	0	-0.006	-0.009	11.996	0.021	0.021	0.000	0.000	0.000	0.000
102	A	107	PHE	0	0.022	0.005	14.097	-0.052	-0.052	0.000	0.000	0.000	0.000
103	A	108	ALA	0	0.026	0.005	8.689	0.080	0.080	0.000	0.000	0.000	0.000
104	A	109	GLU	-1	-0.774	-0.849	7.198	-0.583	-0.583	0.000	0.000	0.000	0.000
105	A	110	CYS	0	0.000	0.013	3.617	-0.465	-0.145	0.007	-0.131	-0.196	0.000
106	A	111	ASN	0	-0.080	-0.064	2.946	0.244	1.081	0.133	-0.278	-0.692	0.001
107	A	112	LEU	0	0.004	0.006	2.672	-1.098	0.430	0.553	-0.311	-1.770	-0.001
108	A	113	ASP	-1	-0.762	-0.857	4.929	-0.351	-0.350	-0.001	-0.005	0.006	0.000
109	A	114	LEU	0	0.022	0.003	8.515	-0.025	-0.025	0.000	0.000	0.000	0.000
110	A	115	ASN	0	-0.074	-0.060	10.694	0.062	0.062	0.000	0.000	0.000	0.000
111	A	116	GLU	-1	-0.952	-0.964	7.944	-0.449	-0.449	0.000	0.000	0.000	0.000
112	A	117	LEU	0	-0.048	-0.029	6.979	-0.004	-0.004	0.000	0.000	0.000	0.000
113	A	118	THR	0	-0.017	0.001	11.337	0.053	0.053	0.000	0.000	0.000	0.000
114	A	119	GLY	0	0.033	0.029	14.728	0.042	0.042	0.000	0.000	0.000	0.000
115	A	120	ASN	0	0.019	-0.016	16.678	-0.022	-0.022	0.000	0.000	0.000	0.000
116	A	121	HIS	0	0.050	0.039	17.672	0.012	0.012	0.000	0.000	0.000	0.000
117	A	122	PRO	0	0.015	-0.004	16.095	-0.027	-0.027	0.000	0.000	0.000	0.000
118	A	123	ARG	1	0.786	0.899	10.973	0.298	0.298	0.000	0.000	0.000	0.000
119	A	124	ASN	0	0.009	0.003	8.400	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	125	CYS	0	-0.023	-0.004	9.349	-0.090	-0.090	0.000	0.000	0.000	0.000
121	A	126	ASP	-1	-0.819	-0.931	7.570	-0.263	-0.263	0.000	0.000	0.000	0.000
122	A	127	LYS	1	0.884	0.952	4.735	0.411	0.525	-0.001	-0.004	-0.109	0.000
123	A	128	PHE	0	-0.015	-0.012	5.669	-0.263	-0.263	0.000	0.000	0.000	0.000
124	A	129	TYR	0	-0.077	-0.062	7.549	0.056	0.056	0.000	0.000	0.000	0.000
125	A	130	ASP	-1	-0.898	-0.935	3.432	-2.720	-1.970	0.032	-0.362	-0.419	-0.003
126	A	131	LEU	0	0.018	0.008	6.468	0.060	0.060	0.000	0.000	0.000	0.000
127	A	132	VAL	0	-0.053	-0.031	9.324	0.094	0.094	0.000	0.000	0.000	0.000
128	A	133	PRO	0	0.006	0.044	11.940	0.029	0.029	0.000	0.000	0.000	0.000
129	A	134	ILE	0	0.048	0.021	13.444	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	135	LEU	0	-0.013	0.003	15.677	-0.005	-0.005	0.000	0.000	0.000	0.000
131	A	136	GLY	0	0.021	0.003	19.199	0.000	0.000	0.000	0.000	0.000	0.000
132	A	137	GLU	-1	-0.969	-0.980	20.167	0.072	0.072	0.000	0.000	0.000	0.000
133	A	138	SER	0	-0.056	-0.022	22.327	-0.007	-0.007	0.000	0.000	0.000	0.000
134	A	139	THR	0	0.000	-0.011	25.974	0.005	0.005	0.000	0.000	0.000	0.000
135	A	140	ARG	1	0.875	0.924	26.819	-0.038	-0.038	0.000	0.000	0.000	0.000
136	A	141	LEU	0	0.020	0.008	31.602	0.003	0.003	0.000	0.000	0.000	0.000
137	A	142	SER	0	0.010	-0.003	35.047	0.000	0.000	0.000	0.000	0.000	0.000
138	A	143	ASP	-1	-0.888	-0.946	38.547	0.009	0.009	0.000	0.000	0.000	0.000
139	A	144	CYS	0	-0.077	-0.035	35.804	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	145	ILE	0	-0.012	0.012	28.595	0.004	0.004	0.000	0.000	0.000	0.000
141	A	146	LYS	1	0.944	0.972	30.329	-0.008	-0.008	0.000	0.000	0.000	0.000
142	A	147	ILE	0	-0.007	-0.006	25.284	0.005	0.005	0.000	0.000	0.000	0.000
143	A	148	PRO	0	0.025	0.022	23.021	-0.006	-0.006	0.000	0.000	0.000	0.000
144	A	149	LEU	0	0.018	0.003	24.866	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	150	PHE	0	-0.018	-0.022	22.603	-0.010	-0.010	0.000	0.000	0.000	0.000
146	A	151	SER	0	0.001	0.003	18.069	0.004	0.004	0.000	0.000	0.000	0.000
147	A	152	VAL	0	0.010	-0.008	17.648	-0.017	-0.017	0.000	0.000	0.000	0.000
148	A	153	GLN	0	-0.045	-0.021	8.786	0.128	0.128	0.000	0.000	0.000	0.000
149	A	154	VAL	0	-0.022	-0.005	14.488	-0.031	-0.031	0.000	0.000	0.000	0.000
150	A	155	THR	0	0.036	0.006	7.997	0.026	0.026	0.000	0.000	0.000	0.000
151	A	156	LEU	0	-0.009	0.004	10.931	0.012	0.012	0.000	0.000	0.000	0.000
152	A	157	PHE	0	0.058	0.027	6.900	-0.197	-0.197	0.000	0.000	0.000	0.000
153	A	158	PRO	0	0.015	-0.002	8.396	0.140	0.140	0.000	0.000	0.000	0.000
154	A	159	ASN	0	-0.066	-0.050	11.408	0.013	0.013	0.000	0.000	0.000	0.000
155	A	160	GLN	0	-0.028	-0.010	10.773	-0.048	-0.048	0.000	0.000	0.000	0.000
156	A	161	GLY	0	0.059	0.016	13.399	0.042	0.042	0.000	0.000	0.000	0.000
157	A	162	ILE	0	-0.048	-0.009	13.307	-0.042	-0.042	0.000	0.000	0.000	0.000
158	A	163	ALA	0	0.008	0.016	11.416	0.029	0.029	0.000	0.000	0.000	0.000
159	A	164	ILE	0	-0.007	-0.004	13.424	0.005	0.005	0.000	0.000	0.000	0.000
160	A	165	GLY	0	0.028	0.017	14.348	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	166	ILE	0	-0.056	-0.037	15.282	0.033	0.033	0.000	0.000	0.000	0.000
162	A	167	THR	0	-0.004	-0.012	16.222	-0.015	-0.015	0.000	0.000	0.000	0.000
163	A	168	ASN	0	-0.039	-0.033	18.994	0.003	0.003	0.000	0.000	0.000	0.000
164	A	169	HIS	0	0.101	0.064	22.614	-0.007	-0.007	0.000	0.000	0.000	0.000
165	A	170	HIS	1	0.865	0.941	25.120	0.047	0.047	0.000	0.000	0.000	0.000
166	A	171	CYS	0	-0.027	-0.009	27.329	0.001	0.001	0.000	0.000	0.000	0.000
167	A	172	LEU	0	-0.025	0.012	26.728	0.002	0.002	0.000	0.000	0.000	0.000
168	A	173	GLY	0	0.028	-0.007	29.504	0.001	0.001	0.000	0.000	0.000	0.000
169	A	174	ASP	-1	-0.795	-0.860	29.023	-0.055	-0.055	0.000	0.000	0.000	0.000
170	A	175	ALA	0	-0.007	-0.021	27.812	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	176	SER	0	0.028	0.010	28.784	-0.005	-0.005	0.000	0.000	0.000	0.000
172	A	177	THR	0	0.029	0.026	30.555	0.000	0.000	0.000	0.000	0.000	0.000
173	A	178	ARG	1	0.966	0.987	23.914	0.095	0.095	0.000	0.000	0.000	0.000
174	A	179	PHE	0	0.007	0.003	27.817	-0.002	-0.002	0.000	0.000	0.000	0.000
175	A	180	CYS	0	-0.080	-0.044	29.246	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	181	PHE	0	0.070	0.041	24.748	0.000	0.000	0.000	0.000	0.000	0.000
177	A	182	LEU	0	0.028	0.012	23.379	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	183	LYS	1	0.890	0.962	27.346	0.061	0.061	0.000	0.000	0.000	0.000
179	A	184	ALA	0	-0.022	0.002	30.308	0.000	0.000	0.000	0.000	0.000	0.000
180	A	185	TRP	0	0.035	0.016	21.106	-0.002	-0.002	0.000	0.000	0.000	0.000
181	A	186	THR	0	-0.046	-0.033	25.136	0.001	0.001	0.000	0.000	0.000	0.000
182	A	187	SER	0	-0.030	-0.011	27.561	0.000	0.000	0.000	0.000	0.000	0.000
183	A	188	ILE	0	-0.037	0.008	30.152	0.002	0.002	0.000	0.000	0.000	0.000
184	A	189	ALA	0	0.020	0.001	25.915	0.003	0.003	0.000	0.000	0.000	0.000
185	A	190	ARG	1	0.869	0.934	28.023	0.095	0.095	0.000	0.000	0.000	0.000
186	A	191	SER	0	-0.117	-0.064	29.435	0.003	0.003	0.000	0.000	0.000	0.000
187	A	192	GLY	0	0.014	0.009	30.400	0.005	0.005	0.000	0.000	0.000	0.000
188	A	193	ASN	0	-0.070	-0.051	28.076	0.000	0.000	0.000	0.000	0.000	0.000
189	A	194	ASN	0	0.055	0.019	31.071	0.008	0.008	0.000	0.000	0.000	0.000
190	A	195	ASP	-1	-0.779	-0.876	34.328	-0.045	-0.045	0.000	0.000	0.000	0.000
191	A	196	GLU	-1	-0.888	-0.923	35.866	-0.041	-0.041	0.000	0.000	0.000	0.000
192	A	197	SER	0	0.017	-0.003	36.192	0.002	0.002	0.000	0.000	0.000	0.000
193	A	198	PHE	0	0.002	-0.006	34.724	0.000	0.000	0.000	0.000	0.000	0.000
194	A	199	LEU	0	-0.008	-0.001	36.825	0.002	0.002	0.000	0.000	0.000	0.000
195	A	200	ALA	0	-0.015	0.019	40.012	0.002	0.002	0.000	0.000	0.000	0.000
196	A	201	ASN	0	-0.028	-0.018	39.131	0.003	0.003	0.000	0.000	0.000	0.000
197	A	202	GLY	0	-0.025	0.002	37.131	-0.002	-0.002	0.000	0.000	0.000	0.000
198	A	203	THR	0	-0.079	-0.050	36.737	0.001	0.001	0.000	0.000	0.000	0.000
199	A	204	ARG	1	0.953	0.958	36.575	0.033	0.033	0.000	0.000	0.000	0.000
200	A	205	PRO	0	0.001	0.013	35.359	0.001	0.001	0.000	0.000	0.000	0.000
201	A	206	LEU	0	-0.002	-0.005	37.600	0.002	0.002	0.000	0.000	0.000	0.000
202	A	207	TYR	0	0.015	-0.028	35.555	0.000	0.000	0.000	0.000	0.000	0.000
203	A	208	ASP	-1	-0.887	-0.921	40.410	-0.022	-0.022	0.000	0.000	0.000	0.000
204	A	209	ARG	1	0.792	0.883	38.123	0.025	0.025	0.000	0.000	0.000	0.000
205	A	210	ILE	0	-0.004	-0.011	43.211	0.001	0.001	0.000	0.000	0.000	0.000
206	A	211	ILE	0	-0.023	0.008	40.632	0.000	0.000	0.000	0.000	0.000	0.000
207	A	212	LYS	1	0.974	0.981	44.191	0.014	0.014	0.000	0.000	0.000	0.000
208	A	213	TYR	0	0.062	0.020	45.211	0.000	0.000	0.000	0.000	0.000	0.000
209	A	214	PRO	0	0.010	0.009	45.857	0.000	0.000	0.000	0.000	0.000	0.000
210	A	215	MET	0	0.026	0.000	46.621	0.001	0.001	0.000	0.000	0.000	0.000
211	A	216	LEU	0	0.034	0.018	43.729	0.001	0.001	0.000	0.000	0.000	0.000
212	A	217	ASP	-1	-0.837	-0.921	42.053	-0.015	-0.015	0.000	0.000	0.000	0.000
213	A	218	GLU	-1	-0.849	-0.914	41.864	-0.005	-0.005	0.000	0.000	0.000	0.000
214	A	219	ALA	0	0.000	0.004	43.292	0.001	0.001	0.000	0.000	0.000	0.000
215	A	220	TYR	0	0.012	-0.022	37.998	0.001	0.001	0.000	0.000	0.000	0.000
216	A	221	LEU	0	0.019	0.017	37.460	0.000	0.000	0.000	0.000	0.000	0.000
217	A	222	LYS	1	0.893	0.942	38.735	0.004	0.004	0.000	0.000	0.000	0.000
218	A	223	ARG	1	0.933	0.984	36.847	0.018	0.018	0.000	0.000	0.000	0.000
219	A	224	ALA	0	-0.044	-0.015	34.393	0.000	0.000	0.000	0.000	0.000	0.000
220	A	225	LYS	1	0.896	0.957	34.834	0.004	0.004	0.000	0.000	0.000	0.000
221	A	226	VAL	0	0.068	0.039	35.786	0.001	0.001	0.000	0.000	0.000	0.000
222	A	227	GLU	-1	-0.903	-0.957	36.979	0.004	0.004	0.000	0.000	0.000	0.000
223	A	228	SER	0	0.031	0.004	34.924	0.001	0.001	0.000	0.000	0.000	0.000
224	A	229	PHE	0	-0.011	-0.003	29.188	0.002	0.002	0.000	0.000	0.000	0.000
225	A	230	ASN	0	-0.002	-0.022	31.482	0.000	0.000	0.000	0.000	0.000	0.000
226	A	231	GLU	-1	-0.954	-0.961	31.306	0.026	0.026	0.000	0.000	0.000	0.000
227	A	232	ASP	-1	-0.755	-0.842	30.485	0.016	0.016	0.000	0.000	0.000	0.000
228	A	233	TYR	0	-0.072	-0.028	23.694	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	234	VAL	0	0.035	0.013	23.299	0.007	0.007	0.000	0.000	0.000	0.000
230	A	235	THR	0	-0.012	-0.007	19.162	-0.005	-0.005	0.000	0.000	0.000	0.000
231	A	236	GLN	0	-0.003	-0.015	19.012	0.001	0.001	0.000	0.000	0.000	0.000
232	A	237	SER	0	-0.005	-0.004	13.970	-0.022	-0.022	0.000	0.000	0.000	0.000
233	A	238	LEU	0	0.001	0.016	12.527	0.017	0.017	0.000	0.000	0.000	0.000
234	A	239	ALA	0	0.005	-0.003	9.571	-0.009	-0.009	0.000	0.000	0.000	0.000
235	A	240	GLY	0	0.023	0.041	7.989	-0.016	-0.016	0.000	0.000	0.000	0.000
236	A	241	PRO	0	-0.036	-0.021	8.218	0.053	0.053	0.000	0.000	0.000	0.000
237	A	242	SER	0	-0.009	-0.029	9.131	0.012	0.012	0.000	0.000	0.000	0.000
238	A	243	ASP	-1	-0.811	-0.907	11.232	-0.066	-0.066	0.000	0.000	0.000	0.000
239	A	244	LYS	1	0.832	0.915	13.804	0.045	0.045	0.000	0.000	0.000	0.000
240	A	245	LEU	0	0.029	0.008	12.849	-0.032	-0.032	0.000	0.000	0.000	0.000
241	A	246	ARG	1	0.821	0.867	12.874	0.254	0.254	0.000	0.000	0.000	0.000
242	A	247	ALA	0	-0.025	-0.001	15.295	-0.018	-0.018	0.000	0.000	0.000	0.000
243	A	248	THR	0	-0.016	-0.011	18.082	-0.003	-0.003	0.000	0.000	0.000	0.000
244	A	249	PHE	0	0.027	0.012	20.568	0.002	0.002	0.000	0.000	0.000	0.000
245	A	250	ILE	0	0.022	0.004	23.693	0.001	0.001	0.000	0.000	0.000	0.000
246	A	251	LEU	0	-0.018	0.004	26.879	0.007	0.007	0.000	0.000	0.000	0.000
247	A	252	THR	0	0.082	0.028	30.454	0.001	0.001	0.000	0.000	0.000	0.000
248	A	253	ARG	1	0.917	0.947	32.476	0.061	0.061	0.000	0.000	0.000	0.000
249	A	254	ALA	0	-0.048	-0.026	35.654	0.004	0.004	0.000	0.000	0.000	0.000
250	A	255	VAL	0	0.084	0.050	33.631	0.004	0.004	0.000	0.000	0.000	0.000
251	A	256	ILE	0	0.003	-0.004	32.539	0.004	0.004	0.000	0.000	0.000	0.000
252	A	257	ASN	0	-0.004	-0.015	36.582	0.004	0.004	0.000	0.000	0.000	0.000
253	A	258	GLN	0	0.051	0.041	39.294	0.001	0.001	0.000	0.000	0.000	0.000
254	A	259	LEU	0	-0.017	-0.007	35.093	0.003	0.003	0.000	0.000	0.000	0.000
255	A	260	LYS	1	0.859	0.912	39.466	0.052	0.052	0.000	0.000	0.000	0.000
256	A	261	ASP	-1	-0.898	-0.948	41.543	-0.039	-0.039	0.000	0.000	0.000	0.000
257	A	262	ARG	1	0.898	0.952	42.533	0.040	0.040	0.000	0.000	0.000	0.000
258	A	263	VAL	0	0.020	0.001	41.096	0.002	0.002	0.000	0.000	0.000	0.000
259	A	264	LEU	0	-0.018	-0.007	44.286	0.002	0.002	0.000	0.000	0.000	0.000
260	A	265	ALA	0	-0.033	-0.005	47.173	0.002	0.002	0.000	0.000	0.000	0.000
261	A	266	GLN	0	-0.062	-0.036	46.424	0.000	0.000	0.000	0.000	0.000	0.000
262	A	267	LEU	0	-0.049	-0.031	45.245	0.002	0.002	0.000	0.000	0.000	0.000
263	A	268	PRO	0	0.026	0.018	48.818	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	269	THR	0	-0.029	-0.019	51.301	0.000	0.000	0.000	0.000	0.000	0.000
265	A	270	LEU	0	-0.056	-0.006	43.825	0.001	0.001	0.000	0.000	0.000	0.000
266	A	271	GLU	-1	-0.855	-0.928	48.128	-0.026	-0.026	0.000	0.000	0.000	0.000
267	A	272	TYR	0	-0.057	-0.025	40.169	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	273	VAL	0	0.034	0.014	41.942	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	274	SER	0	-0.025	-0.011	38.669	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	275	SER	0	0.059	-0.001	35.900	0.001	0.001	0.000	0.000	0.000	0.000
271	A	276	PHE	0	0.027	0.029	30.541	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	277	THR	0	0.057	0.028	34.289	-0.002	-0.002	0.000	0.000	0.000	0.000
273	A	278	VAL	0	0.021	0.024	36.330	0.001	0.001	0.000	0.000	0.000	0.000
274	A	279	ALA	0	0.032	0.013	31.302	0.000	0.000	0.000	0.000	0.000	0.000
275	A	280	CYS	0	-0.057	-0.026	31.625	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	281	ALA	0	0.019	0.012	32.694	0.001	0.001	0.000	0.000	0.000	0.000
277	A	282	TYR	0	-0.026	-0.026	30.744	0.004	0.004	0.000	0.000	0.000	0.000
278	A	283	ILE	0	0.029	0.012	26.104	0.001	0.001	0.000	0.000	0.000	0.000
279	A	284	TRP	0	0.014	0.011	29.941	0.001	0.001	0.000	0.000	0.000	0.000
280	A	285	SER	0	-0.005	-0.026	32.145	0.002	0.002	0.000	0.000	0.000	0.000
281	A	286	CYS	0	-0.066	-0.033	29.015	0.002	0.002	0.000	0.000	0.000	0.000
282	A	287	ILE	0	0.028	0.014	26.922	0.001	0.001	0.000	0.000	0.000	0.000
283	A	288	ALA	0	-0.022	-0.008	29.341	0.003	0.003	0.000	0.000	0.000	0.000
284	A	289	LYS	1	0.876	0.938	31.885	0.052	0.052	0.000	0.000	0.000	0.000
285	A	290	SER	0	-0.013	0.011	26.750	0.002	0.002	0.000	0.000	0.000	0.000
286	A	291	ARG	1	0.835	0.915	27.090	0.035	0.035	0.000	0.000	0.000	0.000
287	A	292	ASN	0	0.002	0.005	30.039	0.003	0.003	0.000	0.000	0.000	0.000
288	A	293	ASP	-1	-0.757	-0.806	32.215	-0.027	-0.027	0.000	0.000	0.000	0.000
289	A	294	LYS	1	0.918	0.960	34.273	0.012	0.012	0.000	0.000	0.000	0.000
290	A	295	LEU	0	-0.021	-0.006	36.083	0.000	0.000	0.000	0.000	0.000	0.000
291	A	296	GLN	0	-0.009	-0.015	31.307	-0.003	-0.003	0.000	0.000	0.000	0.000
292	A	297	LEU	0	0.022	0.019	33.007	0.001	0.001	0.000	0.000	0.000	0.000
293	A	298	PHE	0	0.028	0.003	29.482	-0.004	-0.004	0.000	0.000	0.000	0.000
294	A	299	GLY	0	0.031	0.009	31.567	0.003	0.003	0.000	0.000	0.000	0.000
295	A	300	PHE	0	-0.002	0.005	30.992	-0.005	-0.005	0.000	0.000	0.000	0.000
296	A	301	PRO	0	0.008	0.014	29.547	0.004	0.004	0.000	0.000	0.000	0.000
297	A	302	ILE	0	-0.018	-0.012	32.731	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	303	ASP	-1	-0.860	-0.922	34.688	-0.047	-0.047	0.000	0.000	0.000	0.000
299	A	304	ARG	1	0.857	0.906	36.149	0.030	0.030	0.000	0.000	0.000	0.000
300	A	305	ARG	1	0.831	0.898	34.473	0.049	0.049	0.000	0.000	0.000	0.000
301	A	306	ALA	0	0.006	-0.003	40.618	0.002	0.002	0.000	0.000	0.000	0.000
302	A	307	ARG	1	0.915	0.957	41.267	0.038	0.038	0.000	0.000	0.000	0.000
303	A	308	MET	0	-0.023	0.014	42.802	0.002	0.002	0.000	0.000	0.000	0.000
304	A	309	LYS	1	0.901	0.987	45.384	0.025	0.025	0.000	0.000	0.000	0.000
305	A	310	PRO	0	0.022	-0.005	49.123	0.001	0.001	0.000	0.000	0.000	0.000
306	A	311	PRO	0	-0.002	-0.014	45.732	0.000	0.000	0.000	0.000	0.000	0.000
307	A	312	ILE	0	-0.003	0.004	41.019	0.001	0.001	0.000	0.000	0.000	0.000
308	A	313	PRO	0	0.027	0.008	42.377	-0.002	-0.002	0.000	0.000	0.000	0.000
309	A	314	THR	0	0.021	-0.011	36.948	0.000	0.000	0.000	0.000	0.000	0.000
310	A	315	ALA	0	-0.008	-0.003	37.385	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	316	TYR	0	-0.026	0.006	37.990	0.001	0.001	0.000	0.000	0.000	0.000
312	A	317	PHE	0	0.015	0.011	31.528	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	318	GLY	0	0.084	0.035	33.924	0.004	0.004	0.000	0.000	0.000	0.000
314	A	319	ASN	0	-0.109	-0.082	31.456	-0.008	-0.008	0.000	0.000	0.000	0.000
315	A	320	CYS	0	-0.050	-0.020	34.431	0.004	0.004	0.000	0.000	0.000	0.000
316	A	321	VAL	0	-0.025	-0.010	32.129	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	322	GLY	0	0.027	0.003	35.452	0.003	0.003	0.000	0.000	0.000	0.000
318	A	323	GLY	0	-0.016	-0.012	35.054	-0.004	-0.004	0.000	0.000	0.000	0.000
319	A	324	CYS	0	-0.047	0.005	35.585	0.003	0.003	0.000	0.000	0.000	0.000
320	A	325	ALA	0	0.058	0.023	35.492	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	326	ALA	0	0.009	0.025	36.441	0.002	0.002	0.000	0.000	0.000	0.000
322	A	327	ILE	0	0.060	0.015	36.746	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	328	ALA	0	-0.008	0.002	38.052	0.001	0.001	0.000	0.000	0.000	0.000
324	A	329	LYS	1	0.976	0.987	38.156	0.019	0.019	0.000	0.000	0.000	0.000
325	A	330	THR	0	0.047	0.000	34.703	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	331	ASN	0	0.015	-0.007	37.419	-0.002	-0.002	0.000	0.000	0.000	0.000
327	A	332	LEU	0	-0.065	-0.026	40.141	0.000	0.000	0.000	0.000	0.000	0.000
328	A	333	LEU	0	0.043	0.036	35.354	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	334	ILE	0	0.016	0.028	35.587	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	335	GLY	0	0.016	0.004	36.811	0.001	0.001	0.000	0.000	0.000	0.000
331	A	336	LYS	1	0.960	0.966	38.578	0.037	0.037	0.000	0.000	0.000	0.000
332	A	337	GLU	-1	-0.803	-0.905	40.572	-0.031	-0.031	0.000	0.000	0.000	0.000
333	A	338	GLY	0	0.002	0.020	39.126	0.001	0.001	0.000	0.000	0.000	0.000
334	A	339	PHE	0	-0.001	-0.010	36.590	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	340	ILE	0	0.007	0.011	38.497	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	341	THR	0	-0.016	-0.010	41.382	0.001	0.001	0.000	0.000	0.000	0.000
337	A	342	ALA	0	-0.014	0.000	36.877	0.000	0.000	0.000	0.000	0.000	0.000
338	A	343	ALA	0	0.000	-0.014	38.940	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	344	LYS	1	0.793	0.886	40.092	0.026	0.026	0.000	0.000	0.000	0.000
340	A	345	LEU	0	0.001	0.011	40.448	0.001	0.001	0.000	0.000	0.000	0.000
341	A	346	ILE	0	-0.014	-0.008	35.248	0.000	0.000	0.000	0.000	0.000	0.000
342	A	347	GLY	0	0.001	0.001	39.484	0.000	0.000	0.000	0.000	0.000	0.000
343	A	348	GLU	-1	-0.777	-0.889	42.328	-0.026	-0.026	0.000	0.000	0.000	0.000
344	A	349	ASN	0	0.025	0.000	40.770	0.002	0.002	0.000	0.000	0.000	0.000
345	A	350	LEU	0	-0.018	-0.008	38.413	0.000	0.000	0.000	0.000	0.000	0.000
346	A	351	HIS	0	-0.057	-0.030	41.532	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	352	LYN	0	0.038	0.025	45.139	0.001	0.001	0.000	0.000	0.000	0.000
348	A	353	THR	0	-0.017	-0.022	40.186	0.001	0.001	0.000	0.000	0.000	0.000
349	A	354	LEU	0	-0.061	-0.040	41.024	0.000	0.000	0.000	0.000	0.000	0.000
350	A	355	THR	0	-0.044	-0.028	44.504	0.001	0.001	0.000	0.000	0.000	0.000
351	A	356	ASP	-1	-0.718	-0.831	45.897	-0.021	-0.021	0.000	0.000	0.000	0.000
352	A	357	TYR	0	-0.054	-0.043	39.868	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	358	LYS	1	0.839	0.924	46.047	0.026	0.026	0.000	0.000	0.000	0.000
354	A	359	ASP	-1	-0.871	-0.929	49.148	-0.020	-0.020	0.000	0.000	0.000	0.000
355	A	360	GLY	0	-0.058	-0.022	48.725	0.001	0.001	0.000	0.000	0.000	0.000
356	A	361	VAL	0	-0.028	-0.003	46.247	0.001	0.001	0.000	0.000	0.000	0.000
357	A	362	LEU	0	-0.025	-0.010	44.469	-0.002	-0.002	0.000	0.000	0.000	0.000
358	A	363	LYS	1	0.830	0.905	42.899	0.017	0.017	0.000	0.000	0.000	0.000
359	A	364	ASP	-1	-0.782	-0.883	40.249	-0.024	-0.024	0.000	0.000	0.000	0.000
360	A	365	ASH	0	-0.087	-0.081	39.972	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	366	MET	0	-0.104	-0.061	43.150	0.002	0.002	0.000	0.000	0.000	0.000
362	A	367	GLU	-1	-0.864	-0.906	40.539	-0.021	-0.021	0.000	0.000	0.000	0.000
363	A	368	SER	0	-0.047	-0.020	42.892	0.001	0.001	0.000	0.000	0.000	0.000
364	A	369	PHE	0	-0.035	-0.083	38.731	0.001	0.001	0.000	0.000	0.000	0.000
365	A	370	ASN	0	-0.103	-0.044	40.584	0.001	0.001	0.000	0.000	0.000	0.000
366	A	371	ASP	-1	-0.714	-0.814	41.547	-0.013	-0.013	0.000	0.000	0.000	0.000
367	A	372	LEU	0	0.001	-0.009	36.533	0.000	0.000	0.000	0.000	0.000	0.000
368	A	373	VAL	0	-0.065	-0.031	39.778	0.000	0.000	0.000	0.000	0.000	0.000
369	A	374	SER	0	-0.020	-0.001	41.602	0.001	0.001	0.000	0.000	0.000	0.000
370	A	375	GLU	-1	-0.957	-0.971	43.400	-0.015	-0.015	0.000	0.000	0.000	0.000
371	A	376	GLY	0	-0.028	-0.011	41.633	0.000	0.000	0.000	0.000	0.000	0.000
372	A	377	MET	0	-0.025	-0.017	36.539	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	378	PRO	0	-0.017	-0.015	33.986	0.000	0.000	0.000	0.000	0.000	0.000
374	A	379	THR	0	-0.042	-0.043	33.045	0.002	0.002	0.000	0.000	0.000	0.000
375	A	380	THR	0	-0.010	-0.019	28.405	-0.001	-0.001	0.000	0.000	0.000	0.000
376	A	381	MET	0	-0.022	-0.009	29.174	0.002	0.002	0.000	0.000	0.000	0.000
377	A	382	THR	0	0.006	0.013	26.405	-0.004	-0.004	0.000	0.000	0.000	0.000
378	A	383	TRP	0	-0.010	-0.015	27.141	0.005	0.005	0.000	0.000	0.000	0.000
379	A	384	VAL	0	-0.009	-0.006	26.352	-0.006	-0.006	0.000	0.000	0.000	0.000
380	A	385	SER	0	-0.021	-0.010	22.850	0.006	0.006	0.000	0.000	0.000	0.000
381	A	386	GLY	0	0.055	0.014	25.337	-0.007	-0.007	0.000	0.000	0.000	0.000
382	A	387	THR	0	-0.029	-0.027	26.738	0.009	0.009	0.000	0.000	0.000	0.000
383	A	388	PRO	0	0.068	0.037	29.267	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	389	LYS	1	0.910	0.965	30.278	0.063	0.063	0.000	0.000	0.000	0.000
385	A	390	LEU	0	-0.031	0.005	29.476	0.002	0.002	0.000	0.000	0.000	0.000
386	A	391	ARG	1	0.966	0.994	28.813	0.074	0.074	0.000	0.000	0.000	0.000
387	A	392	PHE	0	0.032	-0.005	24.050	0.001	0.001	0.000	0.000	0.000	0.000
388	A	393	TYR	0	0.044	0.002	21.219	-0.011	-0.011	0.000	0.000	0.000	0.000
389	A	394	ASP	-1	-0.817	-0.905	25.204	-0.101	-0.101	0.000	0.000	0.000	0.000
390	A	395	MET	0	-0.091	-0.030	23.972	0.009	0.009	0.000	0.000	0.000	0.000
391	A	396	ASP	-1	-0.779	-0.874	23.811	-0.143	-0.143	0.000	0.000	0.000	0.000
392	A	397	PHE	0	0.063	0.002	21.821	0.013	0.013	0.000	0.000	0.000	0.000
393	A	398	GLY	0	-0.005	0.004	24.640	0.006	0.006	0.000	0.000	0.000	0.000
394	A	399	TRP	0	-0.038	-0.022	18.402	-0.004	-0.004	0.000	0.000	0.000	0.000
395	A	400	GLY	0	0.041	0.038	23.241	-0.006	-0.006	0.000	0.000	0.000	0.000
396	A	401	LYS	1	0.826	0.893	23.543	0.100	0.100	0.000	0.000	0.000	0.000
397	A	402	PRO	0	-0.034	-0.006	19.852	-0.008	-0.008	0.000	0.000	0.000	0.000
398	A	403	LYS	1	0.797	0.893	17.791	0.249	0.249	0.000	0.000	0.000	0.000
399	A	404	LYS	1	0.807	0.891	16.466	0.248	0.248	0.000	0.000	0.000	0.000
400	A	405	LEU	0	-0.032	-0.008	17.779	-0.014	-0.014	0.000	0.000	0.000	0.000
401	A	406	GLU	-1	-0.745	-0.850	14.076	-0.258	-0.258	0.000	0.000	0.000	0.000
402	A	407	THR	0	-0.046	-0.020	16.839	0.002	0.002	0.000	0.000	0.000	0.000
403	A	408	VAL	0	0.064	0.013	11.973	0.014	0.014	0.000	0.000	0.000	0.000
404	A	409	SER	0	0.042	0.018	15.122	0.007	0.007	0.000	0.000	0.000	0.000
405	A	410	ILE	0	-0.108	-0.047	17.671	0.017	0.017	0.000	0.000	0.000	0.000
406	A	411	ASP	-1	-0.735	-0.840	13.476	-0.190	-0.190	0.000	0.000	0.000	0.000
407	A	412	HIS	0	-0.043	-0.004	17.009	0.009	0.009	0.000	0.000	0.000	0.000
408	A	413	ASN	0	-0.065	-0.044	19.027	0.012	0.012	0.000	0.000	0.000	0.000
409	A	414	GLY	0	0.047	0.041	22.168	-0.007	-0.007	0.000	0.000	0.000	0.000
410	A	415	ALA	0	0.000	0.001	22.372	0.003	0.003	0.000	0.000	0.000	0.000
411	A	416	ILE	0	0.013	0.024	22.360	-0.005	-0.005	0.000	0.000	0.000	0.000
412	A	417	SER	0	0.013	0.004	21.317	0.001	0.001	0.000	0.000	0.000	0.000
413	A	418	ILE	0	-0.015	-0.003	23.323	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	419	ASN	0	-0.041	-0.030	22.991	0.012	0.012	0.000	0.000	0.000	0.000
415	A	420	SER	0	-0.010	-0.011	26.489	0.000	0.000	0.000	0.000	0.000	0.000
416	A	421	CYS	0	0.008	0.049	25.958	-0.008	-0.008	0.000	0.000	0.000	0.000
417	A	422	LYS	1	0.802	0.861	25.738	0.109	0.109	0.000	0.000	0.000	0.000
418	A	423	GLU	-1	-0.875	-0.927	27.015	-0.113	-0.113	0.000	0.000	0.000	0.000
419	A	424	SER	0	-0.011	-0.027	29.201	0.010	0.010	0.000	0.000	0.000	0.000
420	A	425	ASN	0	-0.053	-0.036	30.457	-0.006	-0.006	0.000	0.000	0.000	0.000
421	A	426	GLU	-1	-0.907	-0.951	32.288	-0.057	-0.057	0.000	0.000	0.000	0.000
422	A	427	ASP	-1	-0.854	-0.886	30.106	-0.079	-0.079	0.000	0.000	0.000	0.000
423	A	428	LEU	0	-0.039	-0.040	28.772	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	429	GLU	-1	-0.767	-0.876	21.888	-0.163	-0.163	0.000	0.000	0.000	0.000
425	A	430	ILE	0	-0.039	-0.038	24.365	0.003	0.003	0.000	0.000	0.000	0.000
426	A	431	GLY	0	-0.013	0.015	20.256	-0.007	-0.007	0.000	0.000	0.000	0.000
427	A	432	VAL	0	0.026	-0.004	19.722	0.013	0.013	0.000	0.000	0.000	0.000
428	A	434	ILE	0	0.006	0.006	17.600	0.016	0.016	0.000	0.000	0.000	0.000
429	A	435	SER	0	0.016	0.008	17.605	-0.013	-0.013	0.000	0.000	0.000	0.000
430	A	436	ALA	0	0.045	0.020	16.230	-0.003	-0.003	0.000	0.000	0.000	0.000
431	A	437	THR	0	-0.030	-0.023	18.179	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	438	GLN	0	0.007	0.012	21.565	0.005	0.005	0.000	0.000	0.000	0.000
433	A	439	MET	0	-0.036	-0.007	17.829	0.000	0.000	0.000	0.000	0.000	0.000
434	A	440	GLU	-1	-0.900	-0.947	21.300	-0.062	-0.062	0.000	0.000	0.000	0.000
435	A	441	ASP	-1	-0.857	-0.920	23.153	-0.046	-0.046	0.000	0.000	0.000	0.000
436	A	442	PHE	0	-0.078	-0.043	23.620	0.000	0.000	0.000	0.000	0.000	0.000
437	A	443	VAL	0	-0.016	-0.015	21.804	-0.001	-0.001	0.000	0.000	0.000	0.000
438	A	444	HIS	0	0.014	0.013	24.986	0.001	0.001	0.000	0.000	0.000	0.000
439	A	445	ILE	0	-0.034	-0.016	28.318	0.003	0.003	0.000	0.000	0.000	0.000
440	A	446	PHE	0	-0.067	-0.043	27.072	0.002	0.002	0.000	0.000	0.000	0.000
441	A	447	ASP	-1	-0.846	-0.931	26.760	-0.087	-0.087	0.000	0.000	0.000	0.000
442	A	448	ASP	-1	-0.914	-0.961	29.858	-0.052	-0.052	0.000	0.000	0.000	0.000
443	A	449	GLY	0	-0.132	-0.053	32.579	0.004	0.004	0.000	0.000	0.000	0.000
444	A	450	LEU	0	-0.137	-0.055	30.901	0.005	0.005	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:6:ILE)