FMO DATABASE

FMODB ID: ZV49N

Calculation Name: 1E4F-T-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1E4F

Chain ID: T

ChEMBL ID:

UniProt ID: Q9WZU0

Base Structure: X-ray

Registration Date: 2023-09-24

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	OptH
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	384
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6267055.451193
FMO2-HF: Nuclear repulsion	6118683.895977
FMO2-HF: Total energy	-148371.555216
FMO2-MP2: Total energy	-148811.978509

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(T:7:THR)

Summations of interaction energy for fragment #1(T:7:THR)

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.
-2.466	1.61	1.571	-1.754	-3.893	-0.006

Interaction energy analysis for fragmet #1(T:7:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.002 / 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].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	T	9	PHE	0	-0.004	-0.012	2.387	-2.513	0.152	1.494	-1.317	-2.842	-0.004
4	T	10	TYR	0	-0.001	-0.014	4.789	0.654	0.716	-0.001	-0.005	-0.056	0.000
5	T	11	THR	0	0.014	0.012	8.110	0.045	0.045	0.000	0.000	0.000	0.000
6	T	12	SER	0	-0.035	-0.030	10.710	0.155	0.155	0.000	0.000	0.000	0.000
7	T	13	ILE	0	0.034	0.008	13.967	-0.024	-0.024	0.000	0.000	0.000	0.000
8	T	14	ASP	-1	-0.822	-0.885	17.354	-0.223	-0.223	0.000	0.000	0.000	0.000
9	T	15	ILE	0	-0.009	-0.011	20.541	0.000	0.000	0.000	0.000	0.000	0.000
10	T	16	GLY	0	0.044	0.011	23.749	0.024	0.024	0.000	0.000	0.000	0.000
11	T	17	SER	0	-0.022	-0.025	26.478	-0.001	-0.001	0.000	0.000	0.000	0.000
12	T	18	ARG	1	0.830	0.906	28.985	0.177	0.177	0.000	0.000	0.000	0.000
13	T	19	TYR	0	-0.003	0.008	24.749	0.001	0.001	0.000	0.000	0.000	0.000
14	T	20	ILE	0	0.020	0.024	20.809	0.013	0.013	0.000	0.000	0.000	0.000
15	T	21	LYS	1	0.897	0.961	19.187	0.264	0.264	0.000	0.000	0.000	0.000
16	T	22	GLY	0	0.030	0.015	16.292	0.008	0.008	0.000	0.000	0.000	0.000
17	T	23	LEU	0	-0.002	-0.007	11.996	0.017	0.017	0.000	0.000	0.000	0.000
18	T	24	VAL	0	-0.004	-0.004	7.099	0.011	0.011	0.000	0.000	0.000	0.000
19	T	25	LEU	0	0.018	0.018	7.698	-0.012	-0.012	0.000	0.000	0.000	0.000
20	T	26	GLY	0	0.087	0.064	3.694	-0.594	-0.482	0.009	-0.048	-0.073	0.000
21	T	27	LYS	1	0.874	0.885	3.216	-0.733	-0.274	0.060	-0.171	-0.348	-0.001
22	T	28	ARG	1	0.916	0.959	3.867	-0.180	0.416	0.007	-0.186	-0.417	-0.001
23	T	29	ASP	-1	-0.882	-0.935	5.269	2.475	2.499	-0.001	-0.001	-0.022	0.000
24	T	30	GLN	0	-0.062	-0.049	7.623	-0.364	-0.364	0.000	0.000	0.000	0.000
25	T	31	GLU	-1	-0.954	-0.991	7.570	-0.037	-0.037	0.000	0.000	0.000	0.000
26	T	32	TRP	0	0.032	0.067	6.403	0.021	0.021	0.000	0.000	0.000	0.000
27	T	33	GLU	-1	-0.902	-0.967	5.715	-1.563	-1.563	0.000	0.000	0.000	0.000
28	T	34	ALA	0	-0.023	-0.013	7.812	-0.237	-0.237	0.000	0.000	0.000	0.000
29	T	35	LEU	0	-0.029	-0.006	3.772	-0.292	-0.134	0.003	-0.026	-0.135	0.000
30	T	36	ALA	0	0.024	0.007	8.321	0.047	0.047	0.000	0.000	0.000	0.000
31	T	37	PHE	0	-0.045	-0.020	11.546	0.024	0.024	0.000	0.000	0.000	0.000
32	T	38	SER	0	-0.013	-0.024	14.840	0.037	0.037	0.000	0.000	0.000	0.000
33	T	39	SER	0	-0.022	-0.022	18.299	0.021	0.021	0.000	0.000	0.000	0.000
34	T	40	VAL	0	0.045	0.054	21.558	0.012	0.012	0.000	0.000	0.000	0.000
35	T	41	LYS	1	0.933	0.952	24.015	0.217	0.217	0.000	0.000	0.000	0.000
36	T	42	SER	0	-0.033	-0.032	27.142	-0.014	-0.014	0.000	0.000	0.000	0.000
37	T	43	ARG	1	0.885	0.949	28.033	0.246	0.246	0.000	0.000	0.000	0.000
38	T	44	GLY	0	0.054	0.022	29.828	-0.008	-0.008	0.000	0.000	0.000	0.000
39	T	45	LEU	0	-0.053	-0.020	27.592	0.005	0.005	0.000	0.000	0.000	0.000
40	T	46	ASP	-1	-0.857	-0.928	32.104	-0.122	-0.122	0.000	0.000	0.000	0.000
41	T	47	GLU	-1	-0.920	-0.967	35.222	-0.110	-0.110	0.000	0.000	0.000	0.000
42	T	48	GLY	0	-0.054	-0.028	31.662	0.004	0.004	0.000	0.000	0.000	0.000
43	T	49	GLU	-1	-0.930	-0.956	32.090	-0.114	-0.114	0.000	0.000	0.000	0.000
44	T	50	ILE	0	-0.013	-0.010	28.748	-0.006	-0.006	0.000	0.000	0.000	0.000
45	T	51	LYS	1	0.835	0.914	32.758	0.121	0.121	0.000	0.000	0.000	0.000
46	T	52	ASP	-1	-0.835	-0.921	33.965	-0.157	-0.157	0.000	0.000	0.000	0.000
47	T	53	ALA	0	0.041	0.007	31.163	-0.012	-0.012	0.000	0.000	0.000	0.000
48	T	54	ILE	0	-0.030	0.005	30.164	-0.016	-0.016	0.000	0.000	0.000	0.000
49	T	55	ALA	0	0.070	0.039	30.239	-0.016	-0.016	0.000	0.000	0.000	0.000
50	T	56	PHE	0	0.004	-0.013	25.172	-0.019	-0.019	0.000	0.000	0.000	0.000
51	T	57	LYS	1	0.944	0.966	25.855	0.182	0.182	0.000	0.000	0.000	0.000
52	T	58	GLU	-1	-0.914	-0.948	25.155	-0.244	-0.244	0.000	0.000	0.000	0.000
53	T	59	SER	0	-0.032	-0.015	25.255	-0.022	-0.022	0.000	0.000	0.000	0.000
54	T	60	VAL	0	0.025	0.014	20.578	-0.028	-0.028	0.000	0.000	0.000	0.000
55	T	61	ASN	0	-0.014	-0.015	20.629	-0.034	-0.034	0.000	0.000	0.000	0.000
56	T	62	THR	0	-0.022	-0.021	20.971	-0.028	-0.028	0.000	0.000	0.000	0.000
57	T	63	LEU	0	0.022	0.015	17.731	-0.025	-0.025	0.000	0.000	0.000	0.000
58	T	64	LEU	0	-0.016	-0.015	15.836	-0.058	-0.058	0.000	0.000	0.000	0.000
59	T	65	LYS	1	0.950	0.977	16.141	0.307	0.307	0.000	0.000	0.000	0.000
60	T	66	GLU	-1	-0.831	-0.875	17.544	-0.490	-0.490	0.000	0.000	0.000	0.000
61	T	67	LEU	0	-0.045	-0.020	12.848	-0.049	-0.049	0.000	0.000	0.000	0.000
62	T	68	GLU	-1	-0.874	-0.939	12.794	-0.924	-0.924	0.000	0.000	0.000	0.000
63	T	69	GLU	-1	-0.943	-0.972	13.558	-0.598	-0.598	0.000	0.000	0.000	0.000
64	T	70	GLN	0	-0.014	-0.007	13.100	-0.096	-0.096	0.000	0.000	0.000	0.000
65	T	71	LEU	0	-0.029	-0.012	7.399	-0.140	-0.140	0.000	0.000	0.000	0.000
66	T	72	GLN	0	-0.091	-0.040	9.939	-0.087	-0.087	0.000	0.000	0.000	0.000
67	T	73	LYS	1	0.875	0.933	5.754	2.461	2.461	0.000	0.000	0.000	0.000
68	T	74	SER	0	-0.058	-0.005	11.144	0.065	0.065	0.000	0.000	0.000	0.000
69	T	75	LEU	0	-0.017	-0.024	9.016	-0.298	-0.298	0.000	0.000	0.000	0.000
70	T	76	ARG	1	0.909	0.935	10.640	0.792	0.792	0.000	0.000	0.000	0.000
71	T	77	SER	0	0.014	0.028	7.830	-0.101	-0.101	0.000	0.000	0.000	0.000
72	T	78	ASP	-1	-0.884	-0.950	10.209	-0.310	-0.310	0.000	0.000	0.000	0.000
73	T	79	PHE	0	-0.002	-0.002	11.695	-0.105	-0.105	0.000	0.000	0.000	0.000
74	T	80	VAL	0	-0.051	-0.011	13.855	0.104	0.104	0.000	0.000	0.000	0.000
75	T	81	ILE	0	-0.024	-0.019	15.971	-0.041	-0.041	0.000	0.000	0.000	0.000
76	T	82	SER	0	-0.004	0.011	18.910	0.030	0.030	0.000	0.000	0.000	0.000
77	T	83	PHE	0	0.020	0.020	21.742	-0.013	-0.013	0.000	0.000	0.000	0.000
78	T	84	SER	0	0.011	-0.009	25.192	0.019	0.019	0.000	0.000	0.000	0.000
79	T	85	SER	0	0.018	-0.001	28.355	0.003	0.003	0.000	0.000	0.000	0.000
80	T	86	VAL	0	-0.019	0.003	31.649	0.002	0.002	0.000	0.000	0.000	0.000
81	T	87	SER	0	-0.028	-0.037	34.107	0.008	0.008	0.000	0.000	0.000	0.000
82	T	88	PHE	0	-0.038	0.010	27.654	0.002	0.002	0.000	0.000	0.000	0.000
83	T	89	GLU	-1	-0.899	-0.945	32.732	-0.047	-0.047	0.000	0.000	0.000	0.000
84	T	90	ARG	1	0.875	0.947	33.302	0.020	0.020	0.000	0.000	0.000	0.000
85	T	91	GLU	-1	-0.894	-0.957	34.234	-0.036	-0.036	0.000	0.000	0.000	0.000
86	T	92	ASP	-1	-0.827	-0.918	34.871	0.001	0.001	0.000	0.000	0.000	0.000
87	T	93	THR	0	-0.037	-0.013	35.275	-0.004	-0.004	0.000	0.000	0.000	0.000
88	T	94	VAL	0	0.033	0.021	36.583	0.005	0.005	0.000	0.000	0.000	0.000
89	T	95	ILE	0	-0.045	-0.006	35.852	-0.005	-0.005	0.000	0.000	0.000	0.000
90	T	96	GLU	-1	-0.940	-0.980	38.521	0.031	0.031	0.000	0.000	0.000	0.000
91	T	97	ARG	1	0.816	0.882	36.235	-0.045	-0.045	0.000	0.000	0.000	0.000
92	T	98	ASP	-1	-0.873	-0.946	40.870	0.044	0.044	0.000	0.000	0.000	0.000
93	T	99	PHE	0	-0.087	-0.057	38.087	0.000	0.000	0.000	0.000	0.000	0.000
94	T	100	GLY	0	0.027	0.026	44.149	0.000	0.000	0.000	0.000	0.000	0.000
95	T	101	GLU	-1	-0.936	-0.975	47.169	0.045	0.045	0.000	0.000	0.000	0.000
96	T	102	GLU	-1	-0.996	-0.995	46.284	0.060	0.060	0.000	0.000	0.000	0.000
97	T	103	LYS	1	0.926	0.952	42.330	-0.068	-0.068	0.000	0.000	0.000	0.000
98	T	104	ARG	1	0.923	0.968	39.183	-0.057	-0.057	0.000	0.000	0.000	0.000
99	T	105	SER	0	-0.028	-0.013	35.084	-0.001	-0.001	0.000	0.000	0.000	0.000
100	T	106	ILE	0	0.012	0.021	32.414	-0.003	-0.003	0.000	0.000	0.000	0.000
101	T	107	THR	0	0.019	-0.001	30.786	0.009	0.009	0.000	0.000	0.000	0.000
102	T	108	LEU	0	0.053	-0.008	24.259	-0.008	-0.008	0.000	0.000	0.000	0.000
103	T	109	ASP	-1	-0.851	-0.910	28.228	0.095	0.095	0.000	0.000	0.000	0.000
104	T	110	ILE	0	0.054	0.053	30.111	-0.012	-0.012	0.000	0.000	0.000	0.000
105	T	111	LEU	0	-0.024	-0.017	28.547	-0.010	-0.010	0.000	0.000	0.000	0.000
106	T	112	SER	0	-0.081	-0.045	27.368	-0.008	-0.008	0.000	0.000	0.000	0.000
107	T	113	GLU	-1	-0.876	-0.937	29.133	0.041	0.041	0.000	0.000	0.000	0.000
108	T	114	MET	0	-0.003	0.003	32.637	-0.006	-0.006	0.000	0.000	0.000	0.000
109	T	115	GLN	0	0.003	-0.002	26.037	0.003	0.003	0.000	0.000	0.000	0.000
110	T	116	SER	0	-0.029	-0.019	30.792	-0.013	-0.013	0.000	0.000	0.000	0.000
111	T	117	GLU	-1	-0.773	-0.869	32.263	0.016	0.016	0.000	0.000	0.000	0.000
112	T	118	ALA	0	-0.045	-0.023	32.865	-0.005	-0.005	0.000	0.000	0.000	0.000
113	T	119	LEU	0	-0.069	-0.051	28.972	-0.008	-0.008	0.000	0.000	0.000	0.000
114	T	120	GLU	-1	-0.941	-0.965	32.804	-0.017	-0.017	0.000	0.000	0.000	0.000
115	T	121	LYS	1	0.975	0.990	35.908	-0.005	-0.005	0.000	0.000	0.000	0.000
116	T	122	LEU	0	-0.026	-0.011	32.893	-0.004	-0.004	0.000	0.000	0.000	0.000
117	T	123	LYS	1	0.968	0.995	34.002	0.048	0.048	0.000	0.000	0.000	0.000
118	T	124	GLU	-1	-0.976	-0.985	36.168	-0.024	-0.024	0.000	0.000	0.000	0.000
119	T	125	ASN	0	-0.085	-0.028	39.015	0.000	0.000	0.000	0.000	0.000	0.000
120	T	126	GLY	0	-0.016	-0.009	38.202	-0.003	-0.003	0.000	0.000	0.000	0.000
121	T	127	LYS	1	0.832	0.915	34.796	0.046	0.046	0.000	0.000	0.000	0.000
122	T	128	THR	0	0.052	0.020	28.764	0.007	0.007	0.000	0.000	0.000	0.000
123	T	129	PRO	0	-0.001	0.012	28.690	-0.008	-0.008	0.000	0.000	0.000	0.000
124	T	130	LEU	0	-0.026	-0.020	25.260	-0.007	-0.007	0.000	0.000	0.000	0.000
125	T	131	HIS	0	0.033	0.019	22.340	-0.017	-0.017	0.000	0.000	0.000	0.000
126	T	132	ILE	0	0.042	0.026	25.587	0.004	0.004	0.000	0.000	0.000	0.000
127	T	133	PHE	0	-0.017	-0.022	26.298	0.008	0.008	0.000	0.000	0.000	0.000
128	T	134	SER	0	0.017	0.014	27.320	0.012	0.012	0.000	0.000	0.000	0.000
129	T	135	LYS	1	0.947	0.982	25.860	-0.061	-0.061	0.000	0.000	0.000	0.000
130	T	136	ARG	1	0.960	1.007	31.122	-0.023	-0.023	0.000	0.000	0.000	0.000
131	T	137	TYR	0	0.009	-0.017	29.126	-0.004	-0.004	0.000	0.000	0.000	0.000
132	T	138	LEU	0	0.006	0.012	35.441	0.004	0.004	0.000	0.000	0.000	0.000
133	T	139	LEU	0	-0.008	-0.021	36.140	0.000	0.000	0.000	0.000	0.000	0.000
134	T	140	ASP	-1	-0.766	-0.895	40.164	0.064	0.064	0.000	0.000	0.000	0.000
135	T	141	ASP	-1	-0.883	-0.930	43.443	0.036	0.036	0.000	0.000	0.000	0.000
136	T	142	GLU	-1	-0.960	-0.975	43.718	0.055	0.055	0.000	0.000	0.000	0.000
137	T	143	ARG	1	0.909	0.963	38.961	-0.080	-0.080	0.000	0.000	0.000	0.000
138	T	144	ILE	0	0.000	-0.008	36.344	0.000	0.000	0.000	0.000	0.000	0.000
139	T	145	VAL	0	-0.023	-0.003	33.621	0.005	0.005	0.000	0.000	0.000	0.000
140	T	146	PHE	0	0.014	-0.017	30.012	-0.006	-0.006	0.000	0.000	0.000	0.000
141	T	147	ASN	0	0.014	-0.007	26.220	-0.008	-0.008	0.000	0.000	0.000	0.000
142	T	148	PRO	0	-0.001	0.009	29.865	0.004	0.004	0.000	0.000	0.000	0.000
143	T	149	LEU	0	0.013	0.008	26.162	-0.001	-0.001	0.000	0.000	0.000	0.000
144	T	150	ASP	-1	-0.916	-0.946	29.614	0.192	0.192	0.000	0.000	0.000	0.000
145	T	151	MET	0	-0.057	-0.012	32.144	-0.007	-0.007	0.000	0.000	0.000	0.000
146	T	152	LYS	1	0.917	0.936	35.282	-0.106	-0.106	0.000	0.000	0.000	0.000
147	T	153	ALA	0	-0.029	-0.009	38.496	-0.002	-0.002	0.000	0.000	0.000	0.000
148	T	154	SER	0	-0.075	-0.016	40.597	0.000	0.000	0.000	0.000	0.000	0.000
149	T	155	LYS	1	0.920	0.961	42.311	-0.038	-0.038	0.000	0.000	0.000	0.000
150	T	156	ILE	0	-0.005	0.002	34.747	0.005	0.005	0.000	0.000	0.000	0.000
151	T	157	ALA	0	0.053	0.034	39.159	-0.004	-0.004	0.000	0.000	0.000	0.000
152	T	158	ILE	0	-0.062	-0.036	32.654	0.006	0.006	0.000	0.000	0.000	0.000
153	T	159	GLU	-1	-0.940	-0.966	35.497	0.011	0.011	0.000	0.000	0.000	0.000
154	T	160	TYR	0	-0.018	-0.035	30.523	0.005	0.005	0.000	0.000	0.000	0.000
155	T	161	THR	0	-0.011	0.000	32.235	-0.004	-0.004	0.000	0.000	0.000	0.000
156	T	162	SER	0	-0.062	-0.056	29.815	-0.001	-0.001	0.000	0.000	0.000	0.000
157	T	163	ILE	0	-0.034	-0.004	28.346	0.000	0.000	0.000	0.000	0.000	0.000
158	T	164	VAL	0	0.032	0.008	29.381	-0.007	-0.007	0.000	0.000	0.000	0.000
159	T	165	VAL	0	-0.002	-0.010	29.461	-0.006	-0.006	0.000	0.000	0.000	0.000
160	T	166	PRO	0	-0.003	0.001	32.310	0.003	0.003	0.000	0.000	0.000	0.000
161	T	167	LEU	0	0.035	0.022	32.718	-0.009	-0.009	0.000	0.000	0.000	0.000
162	T	168	LYS	1	1.009	0.987	33.065	0.066	0.066	0.000	0.000	0.000	0.000
163	T	169	VAL	0	0.003	0.011	30.652	-0.007	-0.007	0.000	0.000	0.000	0.000
164	T	170	TYR	0	0.017	0.000	25.610	-0.015	-0.015	0.000	0.000	0.000	0.000
165	T	171	GLU	-1	-0.900	-0.970	28.630	-0.105	-0.105	0.000	0.000	0.000	0.000
166	T	172	MET	0	-0.046	-0.004	30.107	-0.010	-0.010	0.000	0.000	0.000	0.000
167	T	173	PHE	0	0.008	-0.008	25.860	-0.014	-0.014	0.000	0.000	0.000	0.000
168	T	174	TYR	0	0.002	0.007	23.202	-0.020	-0.020	0.000	0.000	0.000	0.000
169	T	175	ASN	0	0.015	0.009	25.592	-0.011	-0.011	0.000	0.000	0.000	0.000
170	T	176	PHE	0	-0.018	-0.032	27.248	-0.008	-0.008	0.000	0.000	0.000	0.000
171	T	177	LEU	0	0.013	0.004	21.461	-0.018	-0.018	0.000	0.000	0.000	0.000
172	T	178	GLN	0	0.028	0.030	22.352	-0.027	-0.027	0.000	0.000	0.000	0.000
173	T	179	ASP	-1	-0.978	-0.978	23.179	-0.236	-0.236	0.000	0.000	0.000	0.000
174	T	180	THR	0	-0.064	-0.034	21.256	-0.010	-0.010	0.000	0.000	0.000	0.000
175	T	181	VAL	0	-0.028	-0.024	16.804	-0.041	-0.041	0.000	0.000	0.000	0.000
176	T	182	LYS	1	0.916	0.983	19.204	0.354	0.354	0.000	0.000	0.000	0.000
177	T	183	SER	0	-0.035	-0.048	13.890	-0.027	-0.027	0.000	0.000	0.000	0.000
178	T	184	PRO	0	0.030	0.043	15.227	0.033	0.033	0.000	0.000	0.000	0.000
179	T	185	PHE	0	0.010	-0.004	16.005	-0.065	-0.065	0.000	0.000	0.000	0.000
180	T	186	GLN	0	-0.003	0.007	17.719	0.060	0.060	0.000	0.000	0.000	0.000
181	T	187	LEU	0	-0.028	-0.012	19.279	-0.030	-0.030	0.000	0.000	0.000	0.000
182	T	188	LYS	1	0.843	0.912	17.454	0.214	0.214	0.000	0.000	0.000	0.000
183	T	189	SER	0	0.013	-0.007	22.742	-0.011	-0.011	0.000	0.000	0.000	0.000
184	T	190	SER	0	-0.006	-0.034	23.406	0.003	0.003	0.000	0.000	0.000	0.000
185	T	191	LEU	0	-0.035	-0.003	24.433	-0.003	-0.003	0.000	0.000	0.000	0.000
186	T	192	VAL	0	0.034	0.010	23.829	0.005	0.005	0.000	0.000	0.000	0.000
187	T	193	SER	0	0.008	-0.021	20.210	0.020	0.020	0.000	0.000	0.000	0.000
188	T	194	THR	0	-0.039	-0.026	21.386	-0.012	-0.012	0.000	0.000	0.000	0.000
189	T	195	ALA	0	-0.010	-0.004	23.531	0.002	0.002	0.000	0.000	0.000	0.000
190	T	196	GLU	-1	-0.854	-0.941	20.560	-0.039	-0.039	0.000	0.000	0.000	0.000
191	T	197	GLY	0	-0.005	0.006	19.502	0.006	0.006	0.000	0.000	0.000	0.000
192	T	198	VAL	0	-0.073	-0.031	20.429	-0.006	-0.006	0.000	0.000	0.000	0.000
193	T	199	LEU	0	-0.035	-0.014	23.387	0.010	0.010	0.000	0.000	0.000	0.000
194	T	200	THR	0	0.024	0.025	23.606	0.005	0.005	0.000	0.000	0.000	0.000
195	T	201	THR	0	-0.033	-0.041	23.487	0.000	0.000	0.000	0.000	0.000	0.000
196	T	202	PRO	0	0.028	-0.003	25.953	0.000	0.000	0.000	0.000	0.000	0.000
197	T	203	GLU	-1	-0.771	-0.851	28.170	-0.047	-0.047	0.000	0.000	0.000	0.000
198	T	204	LYS	1	0.897	0.956	22.858	0.015	0.015	0.000	0.000	0.000	0.000
199	T	205	ASP	-1	-0.918	-0.953	29.186	0.037	0.037	0.000	0.000	0.000	0.000
200	T	206	ARG	1	0.945	0.958	31.231	-0.016	-0.016	0.000	0.000	0.000	0.000
201	T	207	GLY	0	-0.005	0.003	33.156	-0.001	-0.001	0.000	0.000	0.000	0.000
202	T	208	VAL	0	-0.006	0.026	30.108	-0.002	-0.002	0.000	0.000	0.000	0.000
203	T	209	VAL	0	-0.023	-0.011	33.368	-0.001	-0.001	0.000	0.000	0.000	0.000
204	T	210	VAL	0	0.005	0.009	28.137	-0.004	-0.004	0.000	0.000	0.000	0.000
205	T	211	VAL	0	0.002	-0.011	31.325	0.001	0.001	0.000	0.000	0.000	0.000
206	T	212	ASN	0	-0.059	-0.042	27.299	-0.007	-0.007	0.000	0.000	0.000	0.000
207	T	213	LEU	0	0.019	0.016	30.795	0.003	0.003	0.000	0.000	0.000	0.000
208	T	214	GLY	0	0.069	0.035	30.744	-0.011	-0.011	0.000	0.000	0.000	0.000
209	T	215	TYR	0	-0.049	-0.028	31.575	0.007	0.007	0.000	0.000	0.000	0.000
210	T	216	ASN	0	0.078	0.018	33.457	0.011	0.011	0.000	0.000	0.000	0.000
211	T	217	PHE	0	-0.039	-0.012	31.691	0.008	0.008	0.000	0.000	0.000	0.000
212	T	218	THR	0	0.004	-0.002	33.977	-0.009	-0.009	0.000	0.000	0.000	0.000
213	T	219	GLY	0	0.014	0.015	31.968	0.007	0.007	0.000	0.000	0.000	0.000
214	T	220	LEU	0	-0.036	-0.018	33.018	0.000	0.000	0.000	0.000	0.000	0.000
215	T	221	ILE	0	0.048	0.019	28.570	0.002	0.002	0.000	0.000	0.000	0.000
216	T	222	ALA	0	0.003	0.016	32.428	-0.001	-0.001	0.000	0.000	0.000	0.000
217	T	223	TYR	0	-0.020	-0.011	25.530	-0.005	-0.005	0.000	0.000	0.000	0.000
218	T	224	LYS	1	0.928	0.963	31.903	-0.012	-0.012	0.000	0.000	0.000	0.000
219	T	225	ASN	0	-0.037	-0.017	32.815	0.002	0.002	0.000	0.000	0.000	0.000
220	T	226	GLY	0	0.010	-0.004	28.563	0.007	0.007	0.000	0.000	0.000	0.000
221	T	227	VAL	0	-0.032	-0.003	27.665	-0.005	-0.005	0.000	0.000	0.000	0.000
222	T	228	PRO	0	0.005	0.004	28.101	-0.001	-0.001	0.000	0.000	0.000	0.000
223	T	229	ILE	0	0.017	0.007	31.068	0.005	0.005	0.000	0.000	0.000	0.000
224	T	230	LYS	1	0.811	0.900	34.280	0.038	0.038	0.000	0.000	0.000	0.000
225	T	231	ILE	0	0.045	0.026	30.714	-0.003	-0.003	0.000	0.000	0.000	0.000
226	T	232	SER	0	-0.020	-0.010	34.583	0.003	0.003	0.000	0.000	0.000	0.000
227	T	233	TYR	0	0.011	0.000	34.951	-0.008	-0.008	0.000	0.000	0.000	0.000
228	T	234	VAL	0	0.035	0.031	36.927	0.007	0.007	0.000	0.000	0.000	0.000
229	T	235	PRO	0	-0.019	-0.007	38.255	-0.007	-0.007	0.000	0.000	0.000	0.000
230	T	236	VAL	0	-0.039	-0.023	39.292	0.001	0.001	0.000	0.000	0.000	0.000
231	T	237	GLY	0	0.052	0.023	36.487	-0.001	-0.001	0.000	0.000	0.000	0.000
232	T	238	MET	0	-0.019	-0.012	33.706	0.004	0.004	0.000	0.000	0.000	0.000
233	T	239	LYS	1	0.886	0.957	36.524	0.114	0.114	0.000	0.000	0.000	0.000
234	T	240	HIS	0	0.012	0.005	37.940	0.001	0.001	0.000	0.000	0.000	0.000
235	T	241	VAL	0	0.033	0.034	38.977	0.004	0.004	0.000	0.000	0.000	0.000
236	T	242	ILE	0	0.010	0.003	35.906	0.003	0.003	0.000	0.000	0.000	0.000
237	T	243	LYS	1	0.943	0.973	40.504	0.088	0.088	0.000	0.000	0.000	0.000
238	T	244	ASP	-1	-0.784	-0.863	43.274	-0.077	-0.077	0.000	0.000	0.000	0.000
239	T	245	VAL	0	-0.018	-0.012	42.750	0.003	0.003	0.000	0.000	0.000	0.000
240	T	246	SER	0	-0.073	-0.038	43.753	0.002	0.002	0.000	0.000	0.000	0.000
241	T	247	ALA	0	0.001	-0.012	45.604	0.002	0.002	0.000	0.000	0.000	0.000
242	T	248	VAL	0	-0.024	-0.010	48.677	0.003	0.003	0.000	0.000	0.000	0.000
243	T	249	LEU	0	-0.035	-0.013	46.115	0.003	0.003	0.000	0.000	0.000	0.000
244	T	250	ASP	-1	-0.864	-0.916	49.758	-0.077	-0.077	0.000	0.000	0.000	0.000
245	T	251	THR	0	0.012	0.002	44.913	-0.002	-0.002	0.000	0.000	0.000	0.000
246	T	252	SER	0	0.073	0.049	42.953	0.000	0.000	0.000	0.000	0.000	0.000
247	T	253	PHE	0	0.027	-0.003	35.952	0.000	0.000	0.000	0.000	0.000	0.000
248	T	254	GLU	-1	-0.919	-0.968	36.857	-0.152	-0.152	0.000	0.000	0.000	0.000
249	T	255	GLU	-1	-0.726	-0.864	38.890	-0.118	-0.118	0.000	0.000	0.000	0.000
250	T	256	SER	0	0.003	-0.002	41.356	0.003	0.003	0.000	0.000	0.000	0.000
251	T	257	GLU	-1	-0.835	-0.918	34.574	-0.160	-0.160	0.000	0.000	0.000	0.000
252	T	258	ARG	1	0.854	0.939	37.004	0.113	0.113	0.000	0.000	0.000	0.000
253	T	259	LEU	0	-0.032	0.017	38.048	0.001	0.001	0.000	0.000	0.000	0.000
254	T	260	ILE	0	-0.014	-0.007	37.140	0.003	0.003	0.000	0.000	0.000	0.000
255	T	261	ILE	0	-0.025	-0.009	32.635	0.002	0.002	0.000	0.000	0.000	0.000
256	T	262	THR	0	-0.065	-0.072	35.946	0.003	0.003	0.000	0.000	0.000	0.000
257	T	263	HIS	1	0.884	0.938	37.763	0.103	0.103	0.000	0.000	0.000	0.000
258	T	264	GLY	0	0.029	0.022	39.552	0.006	0.006	0.000	0.000	0.000	0.000
259	T	265	ASN	0	0.053	0.020	39.440	0.000	0.000	0.000	0.000	0.000	0.000
260	T	266	ALA	0	0.019	0.025	39.180	0.002	0.002	0.000	0.000	0.000	0.000
261	T	267	VAL	0	-0.018	0.009	41.179	0.005	0.005	0.000	0.000	0.000	0.000
262	T	268	TYR	0	0.056	-0.005	44.083	-0.002	-0.002	0.000	0.000	0.000	0.000
263	T	269	ASN	0	-0.043	-0.039	47.067	0.002	0.002	0.000	0.000	0.000	0.000
264	T	270	ASP	-1	-0.794	-0.842	46.418	-0.058	-0.058	0.000	0.000	0.000	0.000
265	T	271	LEU	0	-0.070	-0.012	44.372	0.000	0.000	0.000	0.000	0.000	0.000
266	T	272	LYS	1	0.925	0.957	48.299	0.056	0.056	0.000	0.000	0.000	0.000
267	T	273	GLU	-1	-0.903	-0.958	49.614	-0.062	-0.062	0.000	0.000	0.000	0.000
268	T	274	GLU	-1	-0.939	-0.978	45.078	-0.084	-0.084	0.000	0.000	0.000	0.000
269	T	275	GLU	-1	-0.925	-0.959	49.106	-0.066	-0.066	0.000	0.000	0.000	0.000
270	T	276	ILE	0	-0.052	-0.023	45.007	-0.003	-0.003	0.000	0.000	0.000	0.000
271	T	277	GLN	0	0.029	0.004	47.588	-0.001	-0.001	0.000	0.000	0.000	0.000
272	T	278	TYR	0	-0.115	-0.072	45.598	-0.005	-0.005	0.000	0.000	0.000	0.000
273	T	279	ARG	1	0.955	0.996	41.804	0.116	0.116	0.000	0.000	0.000	0.000
274	T	280	GLY	0	0.041	0.027	47.153	-0.001	-0.001	0.000	0.000	0.000	0.000
275	T	281	LEU	0	0.021	-0.003	47.234	-0.004	-0.004	0.000	0.000	0.000	0.000
276	T	282	ASP	-1	-0.828	-0.880	48.281	-0.085	-0.085	0.000	0.000	0.000	0.000
277	T	283	GLY	0	-0.046	-0.021	47.065	-0.001	-0.001	0.000	0.000	0.000	0.000
278	T	284	ASN	0	-0.023	-0.017	47.742	-0.005	-0.005	0.000	0.000	0.000	0.000
279	T	285	THR	0	-0.070	-0.045	50.499	0.003	0.003	0.000	0.000	0.000	0.000
280	T	286	ILE	0	-0.033	-0.016	49.047	-0.004	-0.004	0.000	0.000	0.000	0.000
281	T	287	LYS	1	0.819	0.905	50.511	0.081	0.081	0.000	0.000	0.000	0.000
282	T	288	THR	0	0.040	0.005	50.611	-0.004	-0.004	0.000	0.000	0.000	0.000
283	T	289	THR	0	-0.020	0.002	47.876	0.003	0.003	0.000	0.000	0.000	0.000
284	T	290	THR	0	0.051	0.029	49.638	0.000	0.000	0.000	0.000	0.000	0.000
285	T	291	ALA	0	0.089	0.046	45.310	-0.001	-0.001	0.000	0.000	0.000	0.000
286	T	292	LYS	1	0.963	0.986	46.405	0.053	0.053	0.000	0.000	0.000	0.000
287	T	293	LYS	1	0.952	0.969	48.717	0.061	0.061	0.000	0.000	0.000	0.000
288	T	294	LEU	0	0.000	0.011	42.355	0.000	0.000	0.000	0.000	0.000	0.000
289	T	295	SER	0	0.054	-0.004	44.256	-0.003	-0.003	0.000	0.000	0.000	0.000
290	T	296	VAL	0	-0.052	-0.002	45.264	0.001	0.001	0.000	0.000	0.000	0.000
291	T	297	ILE	0	-0.008	-0.002	45.473	0.001	0.001	0.000	0.000	0.000	0.000
292	T	298	ILE	0	-0.004	0.005	40.480	-0.001	-0.001	0.000	0.000	0.000	0.000
293	T	299	HIS	0	-0.039	-0.035	42.994	0.002	0.002	0.000	0.000	0.000	0.000
294	T	300	ALA	0	0.009	0.011	44.564	0.001	0.001	0.000	0.000	0.000	0.000
295	T	301	ARG	1	0.784	0.875	41.873	0.079	0.079	0.000	0.000	0.000	0.000
296	T	302	LEU	0	0.027	0.000	38.261	0.000	0.000	0.000	0.000	0.000	0.000
297	T	303	ARG	1	0.911	0.964	41.464	0.052	0.052	0.000	0.000	0.000	0.000
298	T	304	GLU	-1	-0.802	-0.876	44.098	-0.066	-0.066	0.000	0.000	0.000	0.000
299	T	305	ILE	0	-0.006	-0.007	37.870	0.003	0.003	0.000	0.000	0.000	0.000
300	T	306	MET	0	0.036	0.030	36.623	0.003	0.003	0.000	0.000	0.000	0.000
301	T	307	SER	0	-0.025	-0.028	41.237	0.005	0.005	0.000	0.000	0.000	0.000
302	T	308	LYS	1	0.786	0.875	42.835	0.067	0.067	0.000	0.000	0.000	0.000
303	T	309	SER	0	0.018	-0.002	38.766	0.000	0.000	0.000	0.000	0.000	0.000
304	T	310	LYS	1	0.974	0.999	40.647	0.040	0.040	0.000	0.000	0.000	0.000
305	T	311	LYS	1	0.876	0.920	42.867	0.048	0.048	0.000	0.000	0.000	0.000
306	T	312	PHE	0	0.036	0.019	35.524	0.004	0.004	0.000	0.000	0.000	0.000
307	T	313	PHE	0	0.044	0.010	38.120	0.002	0.002	0.000	0.000	0.000	0.000
308	T	314	ARG	1	0.984	1.018	40.743	0.040	0.040	0.000	0.000	0.000	0.000
309	T	315	GLU	-1	-0.950	-0.978	42.240	-0.034	-0.034	0.000	0.000	0.000	0.000
310	T	316	VAL	0	-0.032	-0.023	37.508	0.003	0.003	0.000	0.000	0.000	0.000
311	T	317	GLU	-1	-0.977	-0.864	40.594	-0.017	-0.017	0.000	0.000	0.000	0.000
312	T	318	ALA	0	0.044	-0.001	42.609	0.003	0.003	0.000	0.000	0.000	0.000
313	T	319	LYS	1	0.862	0.949	39.590	0.023	0.023	0.000	0.000	0.000	0.000
314	T	320	ILE	0	-0.067	-0.008	36.940	0.003	0.003	0.000	0.000	0.000	0.000
315	T	321	VAL	0	0.032	-0.003	41.117	-0.001	-0.001	0.000	0.000	0.000	0.000
316	T	322	GLU	-1	-0.861	-0.929	39.163	0.015	0.015	0.000	0.000	0.000	0.000
317	T	323	GLU	-1	-0.886	-0.948	43.435	0.008	0.008	0.000	0.000	0.000	0.000
318	T	324	GLY	0	-0.064	-0.028	45.923	0.000	0.000	0.000	0.000	0.000	0.000
319	T	325	GLU	-1	-0.961	-0.971	44.791	-0.013	-0.013	0.000	0.000	0.000	0.000
320	T	326	ILE	0	0.396	0.135	39.881	-0.001	-0.001	0.000	0.000	0.000	0.000
321	T	327	GLY	0	-0.308	-0.375	36.732	-0.005	-0.005	0.000	0.000	0.000	0.000
322	T	328	ILE	0	-0.091	0.127	37.038	-0.002	-0.002	0.000	0.000	0.000	0.000
323	T	329	PRO	0	-0.090	-0.056	36.106	-0.003	-0.003	0.000	0.000	0.000	0.000
324	T	330	GLY	0	0.001	0.000	33.496	0.000	0.000	0.000	0.000	0.000	0.000
325	T	331	GLY	0	-0.034	0.003	34.016	-0.006	-0.006	0.000	0.000	0.000	0.000
326	T	332	VAL	0	-0.036	-0.023	34.538	-0.002	-0.002	0.000	0.000	0.000	0.000
327	T	333	VAL	0	0.026	0.019	28.029	-0.003	-0.003	0.000	0.000	0.000	0.000
328	T	334	LEU	0	-0.027	-0.012	31.202	-0.004	-0.004	0.000	0.000	0.000	0.000
329	T	335	THR	0	0.063	0.032	26.618	-0.011	-0.011	0.000	0.000	0.000	0.000
330	T	336	GLY	0	0.040	0.011	26.840	0.007	0.007	0.000	0.000	0.000	0.000
331	T	337	GLY	0	-0.001	-0.010	28.077	0.001	0.001	0.000	0.000	0.000	0.000
332	T	338	GLY	0	0.038	-0.008	29.539	0.003	0.003	0.000	0.000	0.000	0.000
333	T	339	ALA	0	-0.045	-0.013	29.401	0.008	0.008	0.000	0.000	0.000	0.000
334	T	340	LYS	1	0.841	0.920	25.452	0.227	0.227	0.000	0.000	0.000	0.000
335	T	341	ILE	0	-0.033	0.006	31.358	0.001	0.001	0.000	0.000	0.000	0.000
336	T	342	PRO	0	0.054	0.018	35.135	0.005	0.005	0.000	0.000	0.000	0.000
337	T	343	ARG	1	0.809	0.851	36.601	0.073	0.073	0.000	0.000	0.000	0.000
338	T	344	ILE	0	0.030	0.019	34.429	0.007	0.007	0.000	0.000	0.000	0.000
339	T	345	ASN	0	0.034	-0.011	32.642	0.002	0.002	0.000	0.000	0.000	0.000
340	T	346	GLU	-1	-0.903	-0.942	36.892	-0.057	-0.057	0.000	0.000	0.000	0.000
341	T	347	LEU	0	-0.013	0.011	40.444	0.004	0.004	0.000	0.000	0.000	0.000
342	T	348	ALA	0	0.009	-0.005	37.991	0.004	0.004	0.000	0.000	0.000	0.000
343	T	349	THR	0	0.003	-0.002	39.222	0.005	0.005	0.000	0.000	0.000	0.000
344	T	350	GLU	-1	-0.897	-0.935	41.158	-0.046	-0.046	0.000	0.000	0.000	0.000
345	T	351	VAL	0	-0.095	-0.051	42.572	0.004	0.004	0.000	0.000	0.000	0.000
346	T	352	PHE	0	-0.052	-0.054	38.581	0.002	0.002	0.000	0.000	0.000	0.000
347	T	353	LYS	1	0.887	0.964	42.657	0.036	0.036	0.000	0.000	0.000	0.000
348	T	354	SER	0	0.062	0.031	38.835	0.003	0.003	0.000	0.000	0.000	0.000
349	T	355	PRO	0	0.028	0.022	36.399	-0.004	-0.004	0.000	0.000	0.000	0.000
350	T	356	VAL	0	0.015	-0.002	35.001	-0.002	-0.002	0.000	0.000	0.000	0.000
351	T	357	ARG	1	0.800	0.881	26.245	0.069	0.069	0.000	0.000	0.000	0.000
352	T	358	THR	0	0.047	0.021	27.749	0.002	0.002	0.000	0.000	0.000	0.000
353	T	359	GLY	0	-0.020	-0.013	26.510	0.005	0.005	0.000	0.000	0.000	0.000
354	T	360	CYS	0	-0.052	-0.034	22.613	-0.012	-0.012	0.000	0.000	0.000	0.000
355	T	361	TYR	0	0.044	-0.009	14.344	0.010	0.010	0.000	0.000	0.000	0.000
356	T	362	ALA	0	0.019	0.009	19.381	0.024	0.024	0.000	0.000	0.000	0.000
357	T	363	ASN	0	-0.053	-0.026	20.314	0.021	0.021	0.000	0.000	0.000	0.000
358	T	364	SER	0	-0.063	-0.003	19.905	0.021	0.021	0.000	0.000	0.000	0.000
359	T	365	ASP	-1	-0.816	-0.914	21.300	0.008	0.008	0.000	0.000	0.000	0.000
360	T	366	ARG	1	0.844	0.935	16.437	0.082	0.082	0.000	0.000	0.000	0.000
361	T	367	PRO	0	-0.016	-0.005	12.962	0.006	0.006	0.000	0.000	0.000	0.000
362	T	368	SER	0	0.037	0.042	14.284	-0.084	-0.084	0.000	0.000	0.000	0.000
363	T	369	ILE	0	-0.041	-0.003	10.322	0.007	0.007	0.000	0.000	0.000	0.000
364	T	370	ILE	0	0.018	0.011	8.949	0.019	0.019	0.000	0.000	0.000	0.000
365	T	371	ASN	0	0.010	-0.007	11.070	-0.031	-0.031	0.000	0.000	0.000	0.000
366	T	372	ALA	0	0.058	0.020	13.082	-0.082	-0.082	0.000	0.000	0.000	0.000
367	T	373	ASP	-1	-0.908	-0.948	14.842	-0.246	-0.246	0.000	0.000	0.000	0.000
368	T	374	GLU	-1	-0.952	-0.970	18.433	-0.363	-0.363	0.000	0.000	0.000	0.000
369	T	375	VAL	0	0.024	-0.001	15.421	0.031	0.031	0.000	0.000	0.000	0.000
370	T	376	ALA	0	-0.005	-0.004	16.615	0.023	0.023	0.000	0.000	0.000	0.000
371	T	377	ASN	0	0.005	-0.006	18.442	0.031	0.031	0.000	0.000	0.000	0.000
372	T	378	ASP	-1	-0.776	-0.878	21.347	-0.233	-0.233	0.000	0.000	0.000	0.000
373	T	379	PRO	0	0.007	-0.007	22.334	-0.010	-0.010	0.000	0.000	0.000	0.000
374	T	380	SER	0	-0.161	-0.093	24.108	0.009	0.009	0.000	0.000	0.000	0.000
375	T	381	PHE	0	0.044	0.019	17.172	-0.005	-0.005	0.000	0.000	0.000	0.000
376	T	382	ALA	0	-0.013	0.012	18.939	-0.021	-0.021	0.000	0.000	0.000	0.000
377	T	383	ALA	0	0.028	0.017	19.668	-0.002	-0.002	0.000	0.000	0.000	0.000
378	T	384	ALA	0	-0.010	0.008	16.305	-0.004	-0.004	0.000	0.000	0.000	0.000
379	T	385	PHE	0	0.076	0.044	13.700	-0.052	-0.052	0.000	0.000	0.000	0.000
380	T	386	GLY	0	0.039	0.006	15.510	0.008	0.008	0.000	0.000	0.000	0.000
381	T	387	ASN	0	-0.044	-0.016	16.147	0.077	0.077	0.000	0.000	0.000	0.000
382	T	388	VAL	0	0.033	0.037	10.642	0.025	0.025	0.000	0.000	0.000	0.000
383	T	389	PHE	0	-0.032	-0.007	11.629	0.075	0.075	0.000	0.000	0.000	0.000
384	T	390	ALA	0	-0.015	-0.004	15.597	0.052	0.052	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(T:7:THR)