FMO DATABASE

FMODB ID: QV25Y

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	OptAll
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	-6274091.255009
FMO2-HF: Nuclear repulsion	6125713.799481
FMO2-HF: Total energy	-148377.455529
FMO2-MP2: Total energy	-148817.474716

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.
-1.571	2.916	0.191	-1.737	-2.939	-0.005

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 : -0.006 / q_NPA : -0.014

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	0.033	0.004	3.135	-2.058	0.298	0.085	-0.906	-1.534	0.000
4	T	10	TYR	0	0.010	-0.006	5.120	0.495	0.534	-0.001	-0.001	-0.036	0.000
5	T	11	THR	0	0.027	0.018	8.505	0.041	0.041	0.000	0.000	0.000	0.000
6	T	12	SER	0	-0.049	-0.037	11.215	0.097	0.097	0.000	0.000	0.000	0.000
7	T	13	ILE	0	0.012	0.003	14.471	-0.005	-0.005	0.000	0.000	0.000	0.000
8	T	14	ASP	-1	-0.766	-0.822	17.846	-0.107	-0.107	0.000	0.000	0.000	0.000
9	T	15	ILE	0	0.010	0.007	21.125	0.008	0.008	0.000	0.000	0.000	0.000
10	T	16	GLY	0	0.042	0.023	24.449	0.014	0.014	0.000	0.000	0.000	0.000
11	T	17	SER	0	-0.040	-0.030	26.995	-0.003	-0.003	0.000	0.000	0.000	0.000
12	T	18	ARG	1	0.775	0.831	29.111	0.074	0.074	0.000	0.000	0.000	0.000
13	T	19	TYR	0	0.016	0.022	25.226	0.003	0.003	0.000	0.000	0.000	0.000
14	T	20	ILE	0	-0.004	0.014	21.572	0.005	0.005	0.000	0.000	0.000	0.000
15	T	21	LYS	1	0.870	0.935	19.939	0.113	0.113	0.000	0.000	0.000	0.000
16	T	22	GLY	0	0.025	0.002	16.890	-0.009	-0.009	0.000	0.000	0.000	0.000
17	T	23	LEU	0	-0.022	-0.012	12.334	0.030	0.030	0.000	0.000	0.000	0.000
18	T	24	VAL	0	0.007	0.003	7.441	-0.048	-0.048	0.000	0.000	0.000	0.000
19	T	25	LEU	0	0.021	0.018	7.957	0.078	0.078	0.000	0.000	0.000	0.000
20	T	26	GLY	0	0.024	0.013	3.967	-0.581	-0.507	0.002	-0.031	-0.045	0.000
21	T	27	LYS	1	0.826	0.917	3.541	-0.695	-0.382	0.006	-0.068	-0.251	0.000
22	T	28	ARG	1	0.828	0.894	3.193	-2.382	-0.936	0.099	-0.705	-0.841	-0.005
23	T	29	ASP	-1	-0.884	-0.942	4.762	1.610	1.643	-0.001	-0.003	-0.028	0.000
24	T	30	GLN	0	-0.076	-0.060	7.567	-0.259	-0.259	0.000	0.000	0.000	0.000
25	T	31	GLU	-1	-0.851	-0.911	7.602	0.774	0.774	0.000	0.000	0.000	0.000
26	T	32	TRP	0	0.030	0.007	7.003	0.033	0.033	0.000	0.000	0.000	0.000
27	T	33	GLU	-1	-0.816	-0.893	4.983	0.779	0.860	-0.001	-0.001	-0.079	0.000
28	T	34	ALA	0	-0.013	-0.008	7.909	-0.207	-0.207	0.000	0.000	0.000	0.000
29	T	35	LEU	0	-0.053	-0.016	3.825	-0.159	-0.014	0.002	-0.022	-0.125	0.000
30	T	36	ALA	0	0.033	0.014	8.575	0.031	0.031	0.000	0.000	0.000	0.000
31	T	37	PHE	0	-0.039	-0.022	11.761	-0.022	-0.022	0.000	0.000	0.000	0.000
32	T	38	SER	0	0.016	-0.005	15.000	0.029	0.029	0.000	0.000	0.000	0.000
33	T	39	SER	0	-0.050	-0.052	18.551	0.007	0.007	0.000	0.000	0.000	0.000
34	T	40	VAL	0	0.024	0.053	21.847	0.013	0.013	0.000	0.000	0.000	0.000
35	T	41	LYS	1	0.897	0.942	24.521	0.084	0.084	0.000	0.000	0.000	0.000
36	T	42	SER	0	-0.045	-0.037	27.807	-0.008	-0.008	0.000	0.000	0.000	0.000
37	T	43	ARG	1	0.829	0.891	28.675	0.135	0.135	0.000	0.000	0.000	0.000
38	T	44	GLY	0	0.041	0.019	30.222	-0.007	-0.007	0.000	0.000	0.000	0.000
39	T	45	LEU	0	-0.044	-0.014	27.823	0.001	0.001	0.000	0.000	0.000	0.000
40	T	46	ASP	-1	-0.786	-0.896	32.481	-0.062	-0.062	0.000	0.000	0.000	0.000
41	T	47	GLU	-1	-0.847	-0.943	35.522	-0.055	-0.055	0.000	0.000	0.000	0.000
42	T	48	GLY	0	-0.086	-0.033	32.479	0.003	0.003	0.000	0.000	0.000	0.000
43	T	49	GLU	-1	-0.930	-0.960	32.724	-0.072	-0.072	0.000	0.000	0.000	0.000
44	T	50	ILE	0	-0.005	-0.006	28.984	-0.001	-0.001	0.000	0.000	0.000	0.000
45	T	51	LYS	1	0.801	0.897	33.062	0.066	0.066	0.000	0.000	0.000	0.000
46	T	52	ASP	-1	-0.816	-0.905	34.477	-0.098	-0.098	0.000	0.000	0.000	0.000
47	T	53	ALA	0	0.026	0.008	31.723	-0.006	-0.006	0.000	0.000	0.000	0.000
48	T	54	ILE	0	-0.024	-0.010	30.867	-0.011	-0.011	0.000	0.000	0.000	0.000
49	T	55	ALA	0	0.043	0.014	30.375	-0.010	-0.010	0.000	0.000	0.000	0.000
50	T	56	PHE	0	0.012	0.023	25.663	-0.008	-0.008	0.000	0.000	0.000	0.000
51	T	57	LYS	1	0.884	0.942	26.150	0.141	0.141	0.000	0.000	0.000	0.000
52	T	58	GLU	-1	-0.820	-0.890	25.463	-0.144	-0.144	0.000	0.000	0.000	0.000
53	T	59	SER	0	-0.052	-0.030	25.594	-0.008	-0.008	0.000	0.000	0.000	0.000
54	T	60	VAL	0	0.023	0.010	20.980	-0.012	-0.012	0.000	0.000	0.000	0.000
55	T	61	ASN	0	0.006	-0.002	20.970	-0.018	-0.018	0.000	0.000	0.000	0.000
56	T	62	THR	0	-0.050	-0.030	21.309	-0.015	-0.015	0.000	0.000	0.000	0.000
57	T	63	LEU	0	0.013	0.007	18.280	-0.012	-0.012	0.000	0.000	0.000	0.000
58	T	64	LEU	0	-0.021	-0.014	16.263	-0.029	-0.029	0.000	0.000	0.000	0.000
59	T	65	LYS	1	0.917	0.961	16.376	0.186	0.186	0.000	0.000	0.000	0.000
60	T	66	GLU	-1	-0.790	-0.866	17.448	-0.224	-0.224	0.000	0.000	0.000	0.000
61	T	67	LEU	0	-0.032	-0.008	13.009	-0.010	-0.010	0.000	0.000	0.000	0.000
62	T	68	GLU	-1	-0.781	-0.869	12.890	-0.602	-0.602	0.000	0.000	0.000	0.000
63	T	69	GLU	-1	-0.958	-0.973	13.800	-0.264	-0.264	0.000	0.000	0.000	0.000
64	T	70	GLN	0	-0.006	-0.012	13.223	-0.009	-0.009	0.000	0.000	0.000	0.000
65	T	71	LEU	0	-0.034	-0.014	7.693	-0.029	-0.029	0.000	0.000	0.000	0.000
66	T	72	GLN	0	-0.088	-0.044	9.918	-0.030	-0.030	0.000	0.000	0.000	0.000
67	T	73	LYS	1	0.860	0.943	5.780	1.822	1.822	0.000	0.000	0.000	0.000
68	T	74	SER	0	-0.063	-0.037	11.288	0.001	0.001	0.000	0.000	0.000	0.000
69	T	75	LEU	0	-0.045	-0.030	9.526	-0.247	-0.247	0.000	0.000	0.000	0.000
70	T	76	ARG	1	0.837	0.893	11.253	0.648	0.648	0.000	0.000	0.000	0.000
71	T	77	SER	0	0.052	0.038	8.772	-0.115	-0.115	0.000	0.000	0.000	0.000
72	T	78	ASP	-1	-0.888	-0.955	11.140	-0.359	-0.359	0.000	0.000	0.000	0.000
73	T	79	PHE	0	-0.025	-0.009	12.795	-0.027	-0.027	0.000	0.000	0.000	0.000
74	T	80	VAL	0	-0.053	-0.017	14.617	0.067	0.067	0.000	0.000	0.000	0.000
75	T	81	ILE	0	-0.002	-0.008	16.633	-0.016	-0.016	0.000	0.000	0.000	0.000
76	T	82	SER	0	-0.011	-0.009	19.677	0.017	0.017	0.000	0.000	0.000	0.000
77	T	83	PHE	0	0.005	0.002	22.195	-0.005	-0.005	0.000	0.000	0.000	0.000
78	T	84	SER	0	0.002	-0.009	25.659	0.013	0.013	0.000	0.000	0.000	0.000
79	T	85	SER	0	0.016	-0.006	28.927	0.001	0.001	0.000	0.000	0.000	0.000
80	T	86	VAL	0	-0.011	0.002	32.289	0.002	0.002	0.000	0.000	0.000	0.000
81	T	87	SER	0	-0.019	-0.015	34.806	0.005	0.005	0.000	0.000	0.000	0.000
82	T	88	PHE	0	-0.030	0.005	28.409	-0.001	-0.001	0.000	0.000	0.000	0.000
83	T	89	GLU	-1	-0.855	-0.903	33.255	-0.029	-0.029	0.000	0.000	0.000	0.000
84	T	90	ARG	1	0.799	0.864	33.651	0.010	0.010	0.000	0.000	0.000	0.000
85	T	91	GLU	-1	-0.819	-0.894	34.839	-0.029	-0.029	0.000	0.000	0.000	0.000
86	T	92	ASP	-1	-0.747	-0.840	35.397	-0.005	-0.005	0.000	0.000	0.000	0.000
87	T	93	THR	0	-0.006	-0.003	35.943	-0.003	-0.003	0.000	0.000	0.000	0.000
88	T	94	VAL	0	0.028	0.018	36.973	0.002	0.002	0.000	0.000	0.000	0.000
89	T	95	ILE	0	-0.038	-0.006	36.261	-0.003	-0.003	0.000	0.000	0.000	0.000
90	T	96	GLU	-1	-0.877	-0.937	38.755	0.006	0.006	0.000	0.000	0.000	0.000
91	T	97	ARG	1	0.773	0.854	36.980	0.004	0.004	0.000	0.000	0.000	0.000
92	T	98	ASP	-1	-0.844	-0.932	41.330	0.009	0.009	0.000	0.000	0.000	0.000
93	T	99	PHE	0	-0.042	-0.032	38.406	-0.002	-0.002	0.000	0.000	0.000	0.000
94	T	100	GLY	0	0.019	0.026	44.617	0.000	0.000	0.000	0.000	0.000	0.000
95	T	101	GLU	-1	-0.948	-0.995	47.165	0.012	0.012	0.000	0.000	0.000	0.000
96	T	102	GLU	-1	-0.921	-0.943	45.422	0.013	0.013	0.000	0.000	0.000	0.000
97	T	103	LYS	1	0.835	0.889	42.704	-0.022	-0.022	0.000	0.000	0.000	0.000
98	T	104	ARG	1	0.858	0.937	39.501	-0.007	-0.007	0.000	0.000	0.000	0.000
99	T	105	SER	0	0.006	-0.009	34.958	0.001	0.001	0.000	0.000	0.000	0.000
100	T	106	ILE	0	-0.017	0.008	32.662	-0.004	-0.004	0.000	0.000	0.000	0.000
101	T	107	THR	0	-0.011	-0.048	30.383	0.006	0.006	0.000	0.000	0.000	0.000
102	T	108	LEU	0	0.045	-0.002	24.016	-0.003	-0.003	0.000	0.000	0.000	0.000
103	T	109	ASP	-1	-0.831	-0.875	28.051	0.009	0.009	0.000	0.000	0.000	0.000
104	T	110	ILE	0	0.054	0.052	30.141	-0.006	-0.006	0.000	0.000	0.000	0.000
105	T	111	LEU	0	-0.004	-0.007	29.081	-0.003	-0.003	0.000	0.000	0.000	0.000
106	T	112	SER	0	-0.090	-0.052	27.784	-0.007	-0.007	0.000	0.000	0.000	0.000
107	T	113	GLU	-1	-0.814	-0.877	29.466	-0.016	-0.016	0.000	0.000	0.000	0.000
108	T	114	MET	0	0.028	0.026	33.031	-0.002	-0.002	0.000	0.000	0.000	0.000
109	T	115	GLN	0	0.014	0.014	26.129	0.007	0.007	0.000	0.000	0.000	0.000
110	T	116	SER	0	-0.038	-0.033	30.813	-0.008	-0.008	0.000	0.000	0.000	0.000
111	T	117	GLU	-1	-0.779	-0.890	32.288	-0.016	-0.016	0.000	0.000	0.000	0.000
112	T	118	ALA	0	-0.044	-0.019	33.057	0.000	0.000	0.000	0.000	0.000	0.000
113	T	119	LEU	0	-0.040	-0.031	29.304	-0.003	-0.003	0.000	0.000	0.000	0.000
114	T	120	GLU	-1	-0.940	-0.965	33.180	-0.042	-0.042	0.000	0.000	0.000	0.000
115	T	121	LYS	1	0.957	0.983	36.237	0.016	0.016	0.000	0.000	0.000	0.000
116	T	122	LEU	0	-0.025	-0.009	33.438	0.000	0.000	0.000	0.000	0.000	0.000
117	T	123	LYS	1	0.871	0.939	33.767	0.068	0.068	0.000	0.000	0.000	0.000
118	T	124	GLU	-1	-0.953	-0.979	36.863	-0.031	-0.031	0.000	0.000	0.000	0.000
119	T	125	ASN	0	-0.101	-0.052	39.718	0.002	0.002	0.000	0.000	0.000	0.000
120	T	126	GLY	0	-0.003	0.009	39.136	0.000	0.000	0.000	0.000	0.000	0.000
121	T	127	LYS	1	0.738	0.835	35.397	0.030	0.030	0.000	0.000	0.000	0.000
122	T	128	THR	0	0.034	0.008	29.516	0.001	0.001	0.000	0.000	0.000	0.000
123	T	129	PRO	0	-0.001	0.014	29.319	-0.001	-0.001	0.000	0.000	0.000	0.000
124	T	130	LEU	0	-0.040	-0.027	25.697	-0.008	-0.008	0.000	0.000	0.000	0.000
125	T	131	HIS	0	0.032	0.009	22.998	-0.012	-0.012	0.000	0.000	0.000	0.000
126	T	132	ILE	0	0.041	0.018	26.406	0.005	0.005	0.000	0.000	0.000	0.000
127	T	133	PHE	0	-0.002	-0.008	26.416	0.005	0.005	0.000	0.000	0.000	0.000
128	T	134	SER	0	0.001	0.001	27.490	0.010	0.010	0.000	0.000	0.000	0.000
129	T	135	LYS	1	0.892	0.946	26.725	-0.016	-0.016	0.000	0.000	0.000	0.000
130	T	136	ARG	1	0.825	0.901	31.338	-0.004	-0.004	0.000	0.000	0.000	0.000
131	T	137	TYR	0	0.037	0.006	28.604	-0.006	-0.006	0.000	0.000	0.000	0.000
132	T	138	LEU	0	-0.010	0.006	35.484	0.004	0.004	0.000	0.000	0.000	0.000
133	T	139	LEU	0	-0.002	-0.010	36.241	-0.001	-0.001	0.000	0.000	0.000	0.000
134	T	140	ASP	-1	-0.704	-0.829	40.376	0.023	0.023	0.000	0.000	0.000	0.000
135	T	141	ASP	-1	-0.842	-0.906	43.534	0.009	0.009	0.000	0.000	0.000	0.000
136	T	142	GLU	-1	-0.910	-0.925	43.981	0.026	0.026	0.000	0.000	0.000	0.000
137	T	143	ARG	1	0.801	0.874	39.552	-0.028	-0.028	0.000	0.000	0.000	0.000
138	T	144	ILE	0	-0.010	-0.010	36.828	-0.002	-0.002	0.000	0.000	0.000	0.000
139	T	145	VAL	0	-0.012	0.001	33.741	0.004	0.004	0.000	0.000	0.000	0.000
140	T	146	PHE	0	0.031	-0.003	29.980	-0.004	-0.004	0.000	0.000	0.000	0.000
141	T	147	ASN	0	0.017	-0.011	27.443	-0.007	-0.007	0.000	0.000	0.000	0.000
142	T	148	PRO	0	0.014	0.017	30.117	0.003	0.003	0.000	0.000	0.000	0.000
143	T	149	LEU	0	-0.013	0.004	26.692	-0.002	-0.002	0.000	0.000	0.000	0.000
144	T	150	ASP	-1	-0.910	-0.941	29.209	0.077	0.077	0.000	0.000	0.000	0.000
145	T	151	MET	0	-0.083	-0.028	32.403	-0.002	-0.002	0.000	0.000	0.000	0.000
146	T	152	LYS	1	0.915	0.945	35.628	-0.036	-0.036	0.000	0.000	0.000	0.000
147	T	153	ALA	0	-0.034	-0.015	38.806	0.001	0.001	0.000	0.000	0.000	0.000
148	T	154	SER	0	-0.031	-0.016	41.071	0.000	0.000	0.000	0.000	0.000	0.000
149	T	155	LYS	1	0.797	0.887	42.883	-0.009	-0.009	0.000	0.000	0.000	0.000
150	T	156	ILE	0	0.004	0.000	35.147	0.004	0.004	0.000	0.000	0.000	0.000
151	T	157	ALA	0	0.029	0.019	39.406	-0.003	-0.003	0.000	0.000	0.000	0.000
152	T	158	ILE	0	-0.028	-0.017	33.118	0.004	0.004	0.000	0.000	0.000	0.000
153	T	159	GLU	-1	-0.822	-0.878	35.791	0.001	0.001	0.000	0.000	0.000	0.000
154	T	160	TYR	0	-0.025	-0.036	30.919	0.004	0.004	0.000	0.000	0.000	0.000
155	T	161	THR	0	-0.029	-0.017	32.895	-0.003	-0.003	0.000	0.000	0.000	0.000
156	T	162	SER	0	-0.051	-0.036	30.506	-0.002	-0.002	0.000	0.000	0.000	0.000
157	T	163	ILE	0	-0.038	-0.016	28.915	0.001	0.001	0.000	0.000	0.000	0.000
158	T	164	VAL	0	0.013	0.012	29.864	-0.007	-0.007	0.000	0.000	0.000	0.000
159	T	165	VAL	0	-0.007	-0.010	30.263	-0.001	-0.001	0.000	0.000	0.000	0.000
160	T	166	PRO	0	0.039	0.019	32.992	0.000	0.000	0.000	0.000	0.000	0.000
161	T	167	LEU	0	0.014	0.014	33.566	-0.006	-0.006	0.000	0.000	0.000	0.000
162	T	168	LYS	1	0.987	0.975	33.446	0.051	0.051	0.000	0.000	0.000	0.000
163	T	169	VAL	0	0.003	0.013	31.195	-0.005	-0.005	0.000	0.000	0.000	0.000
164	T	170	TYR	0	0.043	0.020	25.977	-0.009	-0.009	0.000	0.000	0.000	0.000
165	T	171	GLU	-1	-0.828	-0.926	29.103	-0.089	-0.089	0.000	0.000	0.000	0.000
166	T	172	MET	0	-0.046	-0.018	30.616	-0.008	-0.008	0.000	0.000	0.000	0.000
167	T	173	PHE	0	0.002	-0.009	26.626	-0.009	-0.009	0.000	0.000	0.000	0.000
168	T	174	TYR	0	0.018	0.009	22.864	-0.011	-0.011	0.000	0.000	0.000	0.000
169	T	175	ASN	0	0.005	0.005	26.177	-0.015	-0.015	0.000	0.000	0.000	0.000
170	T	176	PHE	0	-0.014	-0.019	27.941	-0.007	-0.007	0.000	0.000	0.000	0.000
171	T	177	LEU	0	0.028	0.013	22.057	-0.011	-0.011	0.000	0.000	0.000	0.000
172	T	178	GLN	0	0.040	0.033	22.904	-0.018	-0.018	0.000	0.000	0.000	0.000
173	T	179	ASP	-1	-0.862	-0.911	23.700	-0.190	-0.190	0.000	0.000	0.000	0.000
174	T	180	THR	0	-0.069	-0.052	22.136	0.003	0.003	0.000	0.000	0.000	0.000
175	T	181	VAL	0	-0.007	-0.010	17.192	-0.025	-0.025	0.000	0.000	0.000	0.000
176	T	182	LYS	1	0.803	0.924	19.685	0.229	0.229	0.000	0.000	0.000	0.000
177	T	183	SER	0	-0.024	-0.031	14.365	-0.051	-0.051	0.000	0.000	0.000	0.000
178	T	184	PRO	0	0.042	0.034	15.481	0.048	0.048	0.000	0.000	0.000	0.000
179	T	185	PHE	0	-0.018	-0.012	16.512	-0.042	-0.042	0.000	0.000	0.000	0.000
180	T	186	GLN	0	0.012	0.006	18.379	0.040	0.040	0.000	0.000	0.000	0.000
181	T	187	LEU	0	-0.024	-0.005	19.896	-0.010	-0.010	0.000	0.000	0.000	0.000
182	T	188	LYS	1	0.862	0.943	17.836	0.148	0.148	0.000	0.000	0.000	0.000
183	T	189	SER	0	0.016	-0.001	23.403	-0.003	-0.003	0.000	0.000	0.000	0.000
184	T	190	SER	0	-0.016	-0.045	23.902	0.007	0.007	0.000	0.000	0.000	0.000
185	T	191	LEU	0	-0.032	-0.004	24.982	0.004	0.004	0.000	0.000	0.000	0.000
186	T	192	VAL	0	0.029	0.007	24.965	0.008	0.008	0.000	0.000	0.000	0.000
187	T	193	SER	0	-0.003	-0.023	20.733	0.014	0.014	0.000	0.000	0.000	0.000
188	T	194	THR	0	-0.054	-0.033	21.772	0.001	0.001	0.000	0.000	0.000	0.000
189	T	195	ALA	0	-0.008	0.002	23.932	0.007	0.007	0.000	0.000	0.000	0.000
190	T	196	GLU	-1	-0.751	-0.852	21.212	0.015	0.015	0.000	0.000	0.000	0.000
191	T	197	GLY	0	0.002	0.012	19.984	0.007	0.007	0.000	0.000	0.000	0.000
192	T	198	VAL	0	-0.092	-0.042	20.889	0.001	0.001	0.000	0.000	0.000	0.000
193	T	199	LEU	0	-0.048	-0.005	23.832	0.008	0.008	0.000	0.000	0.000	0.000
194	T	200	THR	0	-0.019	-0.031	24.245	0.005	0.005	0.000	0.000	0.000	0.000
195	T	201	THR	0	-0.020	-0.045	24.038	-0.007	-0.007	0.000	0.000	0.000	0.000
196	T	202	PRO	0	0.018	-0.007	26.476	-0.004	-0.004	0.000	0.000	0.000	0.000
197	T	203	GLU	-1	-0.761	-0.816	28.364	0.020	0.020	0.000	0.000	0.000	0.000
198	T	204	LYS	1	0.803	0.892	23.892	-0.027	-0.027	0.000	0.000	0.000	0.000
199	T	205	ASP	-1	-0.907	-0.937	29.732	0.041	0.041	0.000	0.000	0.000	0.000
200	T	206	ARG	1	0.906	0.928	31.740	-0.037	-0.037	0.000	0.000	0.000	0.000
201	T	207	GLY	0	0.033	0.022	33.736	-0.003	-0.003	0.000	0.000	0.000	0.000
202	T	208	VAL	0	-0.030	-0.002	30.766	0.001	0.001	0.000	0.000	0.000	0.000
203	T	209	VAL	0	-0.026	-0.022	34.071	-0.003	-0.003	0.000	0.000	0.000	0.000
204	T	210	VAL	0	0.010	0.008	28.346	0.001	0.001	0.000	0.000	0.000	0.000
205	T	211	VAL	0	0.012	-0.002	31.681	-0.003	-0.003	0.000	0.000	0.000	0.000
206	T	212	ASN	0	-0.022	-0.008	27.252	-0.004	-0.004	0.000	0.000	0.000	0.000
207	T	213	LEU	0	0.026	0.018	31.052	-0.002	-0.002	0.000	0.000	0.000	0.000
208	T	214	GLY	0	0.050	0.022	31.231	-0.004	-0.004	0.000	0.000	0.000	0.000
209	T	215	TYR	0	-0.006	-0.002	32.176	0.005	0.005	0.000	0.000	0.000	0.000
210	T	216	ASN	0	0.061	0.024	34.095	0.006	0.006	0.000	0.000	0.000	0.000
211	T	217	PHE	0	-0.022	-0.006	32.143	0.003	0.003	0.000	0.000	0.000	0.000
212	T	218	THR	0	0.007	-0.002	34.617	-0.003	-0.003	0.000	0.000	0.000	0.000
213	T	219	GLY	0	0.005	0.003	32.552	0.002	0.002	0.000	0.000	0.000	0.000
214	T	220	LEU	0	-0.042	-0.021	33.485	0.003	0.003	0.000	0.000	0.000	0.000
215	T	221	ILE	0	0.038	0.009	29.108	-0.002	-0.002	0.000	0.000	0.000	0.000
216	T	222	ALA	0	0.008	0.010	32.970	0.002	0.002	0.000	0.000	0.000	0.000
217	T	223	TYR	0	-0.044	-0.042	26.012	-0.006	-0.006	0.000	0.000	0.000	0.000
218	T	224	LYS	1	0.816	0.905	32.651	-0.026	-0.026	0.000	0.000	0.000	0.000
219	T	225	ASN	0	-0.011	0.005	32.872	-0.001	-0.001	0.000	0.000	0.000	0.000
220	T	226	GLY	0	0.051	0.027	28.701	0.003	0.003	0.000	0.000	0.000	0.000
221	T	227	VAL	0	-0.047	-0.028	27.713	-0.003	-0.003	0.000	0.000	0.000	0.000
222	T	228	PRO	0	0.008	0.006	28.584	0.000	0.000	0.000	0.000	0.000	0.000
223	T	229	ILE	0	0.008	0.007	31.658	0.001	0.001	0.000	0.000	0.000	0.000
224	T	230	LYS	1	0.790	0.898	34.914	0.011	0.011	0.000	0.000	0.000	0.000
225	T	231	ILE	0	0.032	0.017	31.120	0.000	0.000	0.000	0.000	0.000	0.000
226	T	232	SER	0	-0.013	-0.014	35.092	0.001	0.001	0.000	0.000	0.000	0.000
227	T	233	TYR	0	0.003	0.004	35.348	-0.003	-0.003	0.000	0.000	0.000	0.000
228	T	234	VAL	0	0.047	0.028	37.335	0.003	0.003	0.000	0.000	0.000	0.000
229	T	235	PRO	0	-0.010	0.006	38.803	-0.003	-0.003	0.000	0.000	0.000	0.000
230	T	236	VAL	0	-0.048	-0.037	39.888	0.000	0.000	0.000	0.000	0.000	0.000
231	T	237	GLY	0	0.061	0.041	36.978	0.000	0.000	0.000	0.000	0.000	0.000
232	T	238	MET	0	-0.030	-0.012	33.955	0.003	0.003	0.000	0.000	0.000	0.000
233	T	239	LYS	1	0.797	0.904	36.863	0.053	0.053	0.000	0.000	0.000	0.000
234	T	240	HIS	0	-0.002	0.004	38.504	0.000	0.000	0.000	0.000	0.000	0.000
235	T	241	VAL	0	0.032	0.019	39.091	0.002	0.002	0.000	0.000	0.000	0.000
236	T	242	ILE	0	0.009	0.004	36.000	0.002	0.002	0.000	0.000	0.000	0.000
237	T	243	LYS	1	0.953	0.982	40.685	0.036	0.036	0.000	0.000	0.000	0.000
238	T	244	ASP	-1	-0.801	-0.867	43.635	-0.027	-0.027	0.000	0.000	0.000	0.000
239	T	245	VAL	0	-0.014	-0.009	42.921	0.002	0.002	0.000	0.000	0.000	0.000
240	T	246	SER	0	-0.055	-0.027	43.898	0.001	0.001	0.000	0.000	0.000	0.000
241	T	247	ALA	0	-0.008	-0.015	45.766	0.001	0.001	0.000	0.000	0.000	0.000
242	T	248	VAL	0	-0.033	-0.023	48.814	0.001	0.001	0.000	0.000	0.000	0.000
243	T	249	LEU	0	-0.024	-0.001	46.348	0.002	0.002	0.000	0.000	0.000	0.000
244	T	250	ASP	-1	-0.830	-0.897	50.002	-0.027	-0.027	0.000	0.000	0.000	0.000
245	T	251	THR	0	-0.002	-0.012	45.108	-0.001	-0.001	0.000	0.000	0.000	0.000
246	T	252	SER	0	0.064	0.046	43.128	-0.002	-0.002	0.000	0.000	0.000	0.000
247	T	253	PHE	0	0.044	0.013	36.184	0.001	0.001	0.000	0.000	0.000	0.000
248	T	254	GLU	-1	-0.867	-0.942	35.504	-0.063	-0.063	0.000	0.000	0.000	0.000
249	T	255	GLU	-1	-0.709	-0.820	38.815	-0.034	-0.034	0.000	0.000	0.000	0.000
250	T	256	SER	0	-0.002	-0.005	41.455	0.003	0.003	0.000	0.000	0.000	0.000
251	T	257	GLU	-1	-0.786	-0.866	34.084	-0.059	-0.059	0.000	0.000	0.000	0.000
252	T	258	ARG	1	0.849	0.922	37.126	0.033	0.033	0.000	0.000	0.000	0.000
253	T	259	LEU	0	-0.011	0.011	38.127	0.003	0.003	0.000	0.000	0.000	0.000
254	T	260	ILE	0	-0.021	-0.018	37.076	0.003	0.003	0.000	0.000	0.000	0.000
255	T	261	ILE	0	-0.016	-0.010	32.878	0.002	0.002	0.000	0.000	0.000	0.000
256	T	262	THR	0	-0.065	-0.056	36.111	0.003	0.003	0.000	0.000	0.000	0.000
257	T	263	HIS	1	0.800	0.887	38.241	0.020	0.020	0.000	0.000	0.000	0.000
258	T	264	GLY	0	0.039	0.029	39.823	0.002	0.002	0.000	0.000	0.000	0.000
259	T	265	ASN	0	0.027	0.012	39.772	0.002	0.002	0.000	0.000	0.000	0.000
260	T	266	ALA	0	0.045	0.036	39.353	-0.001	-0.001	0.000	0.000	0.000	0.000
261	T	267	VAL	0	-0.017	-0.003	41.378	0.001	0.001	0.000	0.000	0.000	0.000
262	T	268	TYR	0	0.084	0.027	44.384	0.000	0.000	0.000	0.000	0.000	0.000
263	T	269	ASN	0	0.014	0.001	47.290	0.000	0.000	0.000	0.000	0.000	0.000
264	T	270	ASP	-1	-0.787	-0.848	46.546	-0.002	-0.002	0.000	0.000	0.000	0.000
265	T	271	LEU	0	-0.016	0.015	44.374	0.001	0.001	0.000	0.000	0.000	0.000
266	T	272	LYS	1	0.913	0.949	48.348	0.000	0.000	0.000	0.000	0.000	0.000
267	T	273	GLU	-1	-0.782	-0.870	49.616	-0.011	-0.011	0.000	0.000	0.000	0.000
268	T	274	GLU	-1	-0.808	-0.899	45.176	-0.012	-0.012	0.000	0.000	0.000	0.000
269	T	275	GLU	-1	-0.913	-0.965	49.195	-0.014	-0.014	0.000	0.000	0.000	0.000
270	T	276	ILE	0	-0.042	-0.015	44.884	0.000	0.000	0.000	0.000	0.000	0.000
271	T	277	GLN	0	0.034	0.013	47.355	-0.001	-0.001	0.000	0.000	0.000	0.000
272	T	278	TYR	0	-0.124	-0.067	45.738	-0.001	-0.001	0.000	0.000	0.000	0.000
273	T	279	ARG	1	0.882	0.932	41.801	0.036	0.036	0.000	0.000	0.000	0.000
274	T	280	GLY	0	0.069	0.049	47.686	-0.001	-0.001	0.000	0.000	0.000	0.000
275	T	281	LEU	0	-0.021	-0.018	47.184	-0.002	-0.002	0.000	0.000	0.000	0.000
276	T	282	ASP	-1	-0.788	-0.859	48.466	-0.031	-0.031	0.000	0.000	0.000	0.000
277	T	283	GLY	0	-0.021	0.000	46.913	-0.001	-0.001	0.000	0.000	0.000	0.000
278	T	284	ASN	0	-0.116	-0.071	47.630	0.000	0.000	0.000	0.000	0.000	0.000
279	T	285	THR	0	-0.023	-0.038	50.588	0.002	0.002	0.000	0.000	0.000	0.000
280	T	286	ILE	0	-0.040	-0.022	49.296	-0.001	-0.001	0.000	0.000	0.000	0.000
281	T	287	LYS	1	0.797	0.895	50.665	0.027	0.027	0.000	0.000	0.000	0.000
282	T	288	THR	0	0.008	-0.009	50.545	-0.001	-0.001	0.000	0.000	0.000	0.000
283	T	289	THR	0	0.010	0.018	48.273	0.001	0.001	0.000	0.000	0.000	0.000
284	T	290	THR	0	-0.001	-0.030	49.497	0.000	0.000	0.000	0.000	0.000	0.000
285	T	291	ALA	0	0.076	0.046	45.071	-0.001	-0.001	0.000	0.000	0.000	0.000
286	T	292	LYS	1	0.795	0.905	46.348	0.005	0.005	0.000	0.000	0.000	0.000
287	T	293	LYS	1	0.861	0.922	48.818	0.012	0.012	0.000	0.000	0.000	0.000
288	T	294	LEU	0	0.009	0.012	42.676	-0.001	-0.001	0.000	0.000	0.000	0.000
289	T	295	SER	0	0.019	-0.025	44.365	-0.001	-0.001	0.000	0.000	0.000	0.000
290	T	296	VAL	0	-0.040	-0.002	45.373	0.000	0.000	0.000	0.000	0.000	0.000
291	T	297	ILE	0	-0.005	0.005	45.647	0.000	0.000	0.000	0.000	0.000	0.000
292	T	298	ILE	0	-0.001	0.013	40.539	-0.001	-0.001	0.000	0.000	0.000	0.000
293	T	299	HIS	0	-0.035	-0.028	42.926	0.000	0.000	0.000	0.000	0.000	0.000
294	T	300	ALA	0	0.007	0.011	44.641	0.000	0.000	0.000	0.000	0.000	0.000
295	T	301	ARG	1	0.772	0.844	42.076	0.027	0.027	0.000	0.000	0.000	0.000
296	T	302	LEU	0	0.037	0.009	38.102	-0.001	-0.001	0.000	0.000	0.000	0.000
297	T	303	ARG	1	0.891	0.930	41.635	0.008	0.008	0.000	0.000	0.000	0.000
298	T	304	GLU	-1	-0.805	-0.863	44.390	-0.023	-0.023	0.000	0.000	0.000	0.000
299	T	305	ILE	0	0.002	0.003	38.102	0.001	0.001	0.000	0.000	0.000	0.000
300	T	306	MET	0	0.024	0.028	36.572	0.001	0.001	0.000	0.000	0.000	0.000
301	T	307	SER	0	-0.024	-0.031	41.394	0.002	0.002	0.000	0.000	0.000	0.000
302	T	308	LYS	1	0.810	0.890	43.111	0.023	0.023	0.000	0.000	0.000	0.000
303	T	309	SER	0	0.022	-0.005	38.870	0.000	0.000	0.000	0.000	0.000	0.000
304	T	310	LYS	1	0.861	0.931	40.758	0.002	0.002	0.000	0.000	0.000	0.000
305	T	311	LYS	1	0.784	0.890	43.201	0.016	0.016	0.000	0.000	0.000	0.000
306	T	312	PHE	0	0.022	0.008	35.809	0.001	0.001	0.000	0.000	0.000	0.000
307	T	313	PHE	0	0.046	0.013	38.830	0.000	0.000	0.000	0.000	0.000	0.000
308	T	314	ARG	1	0.960	0.972	41.143	0.008	0.008	0.000	0.000	0.000	0.000
309	T	315	GLU	-1	-0.819	-0.879	42.812	-0.012	-0.012	0.000	0.000	0.000	0.000
310	T	316	VAL	0	-0.066	-0.037	37.884	0.000	0.000	0.000	0.000	0.000	0.000
311	T	317	GLU	-1	-0.896	-0.948	40.937	0.005	0.005	0.000	0.000	0.000	0.000
312	T	318	ALA	0	-0.002	-0.004	43.658	0.002	0.002	0.000	0.000	0.000	0.000
313	T	319	LYS	1	0.821	0.920	39.165	0.002	0.002	0.000	0.000	0.000	0.000
314	T	320	ILE	0	0.001	-0.002	37.575	0.001	0.001	0.000	0.000	0.000	0.000
315	T	321	VAL	0	-0.021	-0.010	41.563	-0.001	-0.001	0.000	0.000	0.000	0.000
316	T	322	GLU	-1	-0.784	-0.895	38.532	0.031	0.031	0.000	0.000	0.000	0.000
317	T	323	GLU	-1	-0.909	-0.961	43.189	0.022	0.022	0.000	0.000	0.000	0.000
318	T	324	GLY	0	-0.033	-0.006	45.627	-0.001	-0.001	0.000	0.000	0.000	0.000
319	T	325	GLU	-1	-0.913	-0.940	44.615	0.011	0.011	0.000	0.000	0.000	0.000
320	T	326	ILE	0	-0.049	-0.036	39.732	0.002	0.002	0.000	0.000	0.000	0.000
321	T	327	GLY	0	-0.010	-0.026	37.750	-0.003	-0.003	0.000	0.000	0.000	0.000
322	T	328	ILE	0	-0.015	0.006	37.426	0.001	0.001	0.000	0.000	0.000	0.000
323	T	329	PRO	0	-0.036	0.002	36.307	0.001	0.001	0.000	0.000	0.000	0.000
324	T	330	GLY	0	0.023	0.021	33.708	0.003	0.003	0.000	0.000	0.000	0.000
325	T	331	GLY	0	-0.041	-0.005	34.583	-0.001	-0.001	0.000	0.000	0.000	0.000
326	T	332	VAL	0	-0.053	-0.035	34.772	-0.003	-0.003	0.000	0.000	0.000	0.000
327	T	333	VAL	0	0.033	0.021	28.338	0.001	0.001	0.000	0.000	0.000	0.000
328	T	334	LEU	0	-0.022	-0.009	31.323	-0.006	-0.006	0.000	0.000	0.000	0.000
329	T	335	THR	0	0.029	-0.001	27.026	-0.002	-0.002	0.000	0.000	0.000	0.000
330	T	336	GLY	0	0.041	0.014	27.124	0.000	0.000	0.000	0.000	0.000	0.000
331	T	337	GLY	0	0.000	-0.006	28.328	0.004	0.004	0.000	0.000	0.000	0.000
332	T	338	GLY	0	0.044	-0.016	29.800	0.003	0.003	0.000	0.000	0.000	0.000
333	T	339	ALA	0	-0.042	-0.017	29.630	0.004	0.004	0.000	0.000	0.000	0.000
334	T	340	LYS	1	0.837	0.907	25.605	0.067	0.067	0.000	0.000	0.000	0.000
335	T	341	ILE	0	-0.033	-0.001	31.402	0.002	0.002	0.000	0.000	0.000	0.000
336	T	342	PRO	0	0.054	0.019	35.246	0.003	0.003	0.000	0.000	0.000	0.000
337	T	343	ARG	1	0.808	0.851	36.819	0.003	0.003	0.000	0.000	0.000	0.000
338	T	344	ILE	0	-0.014	-0.003	34.512	0.002	0.002	0.000	0.000	0.000	0.000
339	T	345	ASN	0	0.049	0.002	32.799	-0.002	-0.002	0.000	0.000	0.000	0.000
340	T	346	GLU	-1	-0.868	-0.920	36.870	0.003	0.003	0.000	0.000	0.000	0.000
341	T	347	LEU	0	-0.033	-0.010	40.542	0.001	0.001	0.000	0.000	0.000	0.000
342	T	348	ALA	0	0.024	0.003	38.122	0.000	0.000	0.000	0.000	0.000	0.000
343	T	349	THR	0	0.006	-0.008	39.319	0.001	0.001	0.000	0.000	0.000	0.000
344	T	350	GLU	-1	-0.847	-0.892	41.335	-0.002	-0.002	0.000	0.000	0.000	0.000
345	T	351	VAL	0	0.006	0.013	42.907	0.001	0.001	0.000	0.000	0.000	0.000
346	T	352	PHE	0	0.024	-0.005	38.312	0.000	0.000	0.000	0.000	0.000	0.000
347	T	353	LYS	1	0.761	0.879	42.916	0.000	0.000	0.000	0.000	0.000	0.000
348	T	354	SER	0	0.059	0.045	39.397	0.001	0.001	0.000	0.000	0.000	0.000
349	T	355	PRO	0	0.036	0.013	36.834	-0.001	-0.001	0.000	0.000	0.000	0.000
350	T	356	VAL	0	-0.020	-0.019	35.305	-0.002	-0.002	0.000	0.000	0.000	0.000
351	T	357	ARG	1	0.764	0.861	26.490	-0.015	-0.015	0.000	0.000	0.000	0.000
352	T	358	THR	0	0.058	0.030	27.983	-0.003	-0.003	0.000	0.000	0.000	0.000
353	T	359	GLY	0	0.006	0.000	26.760	0.007	0.007	0.000	0.000	0.000	0.000
354	T	360	CYS	0	-0.067	-0.033	22.717	-0.006	-0.006	0.000	0.000	0.000	0.000
355	T	361	TYR	0	0.059	0.014	14.976	-0.005	-0.005	0.000	0.000	0.000	0.000
356	T	362	ALA	0	0.005	0.008	19.763	0.016	0.016	0.000	0.000	0.000	0.000
357	T	363	ASN	0	-0.078	-0.039	20.621	0.018	0.018	0.000	0.000	0.000	0.000
358	T	364	SER	0	-0.002	-0.011	20.482	-0.004	-0.004	0.000	0.000	0.000	0.000
359	T	365	ASP	-1	-0.794	-0.885	21.796	0.076	0.076	0.000	0.000	0.000	0.000
360	T	366	ARG	1	0.810	0.914	17.387	-0.008	-0.008	0.000	0.000	0.000	0.000
361	T	367	PRO	0	0.002	0.004	13.342	0.010	0.010	0.000	0.000	0.000	0.000
362	T	368	SER	0	0.032	0.028	14.558	-0.045	-0.045	0.000	0.000	0.000	0.000
363	T	369	ILE	0	-0.050	-0.016	10.455	0.027	0.027	0.000	0.000	0.000	0.000
364	T	370	ILE	0	0.022	0.021	9.412	-0.035	-0.035	0.000	0.000	0.000	0.000
365	T	371	ASN	0	0.012	-0.015	10.317	-0.045	-0.045	0.000	0.000	0.000	0.000
366	T	372	ALA	0	0.048	0.025	12.856	-0.051	-0.051	0.000	0.000	0.000	0.000
367	T	373	ASP	-1	-0.897	-0.950	14.706	0.035	0.035	0.000	0.000	0.000	0.000
368	T	374	GLU	-1	-0.921	-0.952	18.231	-0.079	-0.079	0.000	0.000	0.000	0.000
369	T	375	VAL	0	0.011	0.001	15.787	0.005	0.005	0.000	0.000	0.000	0.000
370	T	376	ALA	0	0.006	0.003	16.668	-0.001	-0.001	0.000	0.000	0.000	0.000
371	T	377	ASN	0	-0.019	-0.032	18.526	0.015	0.015	0.000	0.000	0.000	0.000
372	T	378	ASP	-1	-0.702	-0.793	21.521	-0.067	-0.067	0.000	0.000	0.000	0.000
373	T	379	PRO	0	0.018	-0.004	22.664	-0.008	-0.008	0.000	0.000	0.000	0.000
374	T	380	SER	0	-0.172	-0.112	24.002	-0.001	-0.001	0.000	0.000	0.000	0.000
375	T	381	PHE	0	0.034	0.000	17.366	-0.008	-0.008	0.000	0.000	0.000	0.000
376	T	382	ALA	0	-0.010	0.016	19.390	-0.012	-0.012	0.000	0.000	0.000	0.000
377	T	383	ALA	0	0.017	0.010	20.027	-0.002	-0.002	0.000	0.000	0.000	0.000
378	T	384	ALA	0	-0.013	0.004	16.965	-0.009	-0.009	0.000	0.000	0.000	0.000
379	T	385	PHE	0	0.092	0.061	13.794	-0.043	-0.043	0.000	0.000	0.000	0.000
380	T	386	GLY	0	0.066	0.022	15.756	-0.007	-0.007	0.000	0.000	0.000	0.000
381	T	387	ASN	0	-0.040	-0.031	16.532	0.038	0.038	0.000	0.000	0.000	0.000
382	T	388	VAL	0	-0.008	0.002	10.972	-0.006	-0.006	0.000	0.000	0.000	0.000
383	T	389	PHE	0	0.020	0.014	11.983	0.026	0.026	0.000	0.000	0.000	0.000
384	T	390	ALA	0	-0.006	0.017	16.210	0.038	0.038	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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