FMO DATABASE

FMODB ID: QN1VY

Calculation Name: 2TMG-C-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2TMG

Chain ID: C

ChEMBL ID:

UniProt ID: P96110

Base Structure: X-ray

Registration Date: 2023-09-26

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	408
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7106759.893315
FMO2-HF: Nuclear repulsion	6948973.341905
FMO2-HF: Total energy	-157786.551411
FMO2-MP2: Total energy	-158248.342478

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(C:4:SER)

Summations of interaction energy for fragment #1(C:4:SER)

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.
-35.505	-37.748	29.901	-13.441	-14.219	-0.042

Interaction energy analysis for fragmet #1(C:4:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.010 / q_NPA : -0.021

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	C	6	TYR	0	-0.064	-0.061	2.217	-2.575	0.531	2.268	-2.358	-3.016	0.019
4	C	7	GLU	-1	-0.901	-0.953	1.994	-17.547	-15.946	10.327	-5.170	-6.759	-0.005
5	C	8	MET	0	0.035	0.016	3.580	-1.304	-0.533	0.014	-0.228	-0.557	0.001
6	C	9	ALA	0	-0.021	-0.009	5.712	-0.045	-0.045	0.000	0.000	0.000	0.000
7	C	10	VAL	0	-0.004	-0.016	6.642	-0.365	-0.365	0.000	0.000	0.000	0.000
8	C	11	GLU	-1	-0.911	-0.939	7.783	-0.313	-0.313	0.000	0.000	0.000	0.000
9	C	12	GLN	0	0.032	0.017	9.576	-0.069	-0.069	0.000	0.000	0.000	0.000
10	C	13	PHE	0	-0.028	-0.012	11.363	-0.039	-0.039	0.000	0.000	0.000	0.000
11	C	14	ASN	0	0.051	0.020	10.588	-0.014	-0.014	0.000	0.000	0.000	0.000
12	C	15	ARG	1	0.885	0.952	11.817	-0.118	-0.118	0.000	0.000	0.000	0.000
13	C	16	ALA	0	0.023	0.009	15.733	-0.015	-0.015	0.000	0.000	0.000	0.000
14	C	17	ALA	0	-0.036	-0.035	16.362	-0.016	-0.016	0.000	0.000	0.000	0.000
15	C	18	SER	0	-0.026	-0.013	17.051	-0.018	-0.018	0.000	0.000	0.000	0.000
16	C	19	LEU	0	-0.060	-0.022	19.576	-0.011	-0.011	0.000	0.000	0.000	0.000
17	C	20	MET	0	-0.075	-0.029	21.388	0.002	0.002	0.000	0.000	0.000	0.000
18	C	21	ASP	-1	-0.884	-0.930	22.586	0.041	0.041	0.000	0.000	0.000	0.000
19	C	22	LEU	0	-0.092	-0.036	18.357	0.003	0.003	0.000	0.000	0.000	0.000
20	C	23	GLU	-1	-0.764	-0.879	21.800	0.061	0.061	0.000	0.000	0.000	0.000
21	C	24	SER	0	0.031	0.002	18.756	0.010	0.010	0.000	0.000	0.000	0.000
22	C	25	ASP	-1	-0.895	-0.947	18.310	0.073	0.073	0.000	0.000	0.000	0.000
23	C	26	LEU	0	-0.008	-0.009	18.842	0.019	0.019	0.000	0.000	0.000	0.000
24	C	27	ALA	0	0.017	-0.008	16.519	0.025	0.025	0.000	0.000	0.000	0.000
25	C	28	GLU	-1	-0.780	-0.850	13.200	0.273	0.273	0.000	0.000	0.000	0.000
26	C	29	VAL	0	-0.057	-0.044	14.216	0.053	0.053	0.000	0.000	0.000	0.000
27	C	30	LEU	0	-0.034	-0.006	15.540	0.014	0.014	0.000	0.000	0.000	0.000
28	C	31	ARG	1	0.880	0.935	10.327	-0.190	-0.190	0.000	0.000	0.000	0.000
29	C	32	ARG	1	0.842	0.913	10.475	-0.020	-0.020	0.000	0.000	0.000	0.000
30	C	33	PRO	0	-0.038	-0.006	9.818	-0.050	-0.050	0.000	0.000	0.000	0.000
31	C	34	LYS	1	0.936	0.972	12.553	-0.124	-0.124	0.000	0.000	0.000	0.000
32	C	35	ARG	1	0.850	0.906	15.308	-0.065	-0.065	0.000	0.000	0.000	0.000
33	C	36	VAL	0	0.019	0.002	10.917	0.027	0.027	0.000	0.000	0.000	0.000
34	C	37	LEU	0	-0.006	0.020	13.937	-0.010	-0.010	0.000	0.000	0.000	0.000
35	C	38	ILE	0	-0.006	-0.015	12.501	-0.016	-0.016	0.000	0.000	0.000	0.000
36	C	39	VAL	0	-0.003	0.008	16.016	0.012	0.012	0.000	0.000	0.000	0.000
37	C	40	GLU	-1	-0.783	-0.876	17.228	-0.153	-0.153	0.000	0.000	0.000	0.000
38	C	41	PHE	0	0.005	0.000	20.340	0.009	0.009	0.000	0.000	0.000	0.000
39	C	42	PRO	0	-0.013	-0.005	24.015	0.000	0.000	0.000	0.000	0.000	0.000
40	C	43	VAL	0	-0.006	-0.013	26.039	0.005	0.005	0.000	0.000	0.000	0.000
41	C	44	ARG	1	0.849	0.921	28.815	0.017	0.017	0.000	0.000	0.000	0.000
42	C	45	MET	0	0.008	0.014	27.266	0.002	0.002	0.000	0.000	0.000	0.000
43	C	46	ASP	-1	-0.761	-0.875	32.643	-0.006	-0.006	0.000	0.000	0.000	0.000
44	C	47	ASP	-1	-0.866	-0.887	34.215	-0.015	-0.015	0.000	0.000	0.000	0.000
45	C	48	GLY	0	0.024	0.018	36.118	0.000	0.000	0.000	0.000	0.000	0.000
46	C	49	HIS	1	0.749	0.829	29.617	0.022	0.022	0.000	0.000	0.000	0.000
47	C	50	VAL	0	-0.035	-0.027	29.801	0.001	0.001	0.000	0.000	0.000	0.000
48	C	51	GLU	-1	-0.843	-0.901	25.606	-0.033	-0.033	0.000	0.000	0.000	0.000
49	C	52	VAL	0	-0.002	-0.012	22.642	0.003	0.003	0.000	0.000	0.000	0.000
50	C	53	PHE	0	0.014	0.013	20.833	-0.004	-0.004	0.000	0.000	0.000	0.000
51	C	54	THR	0	0.007	-0.007	14.871	-0.006	-0.006	0.000	0.000	0.000	0.000
52	C	55	GLY	0	-0.032	-0.016	16.699	0.007	0.007	0.000	0.000	0.000	0.000
53	C	56	TYR	0	-0.030	-0.016	11.826	-0.034	-0.034	0.000	0.000	0.000	0.000
54	C	57	ARG	1	0.784	0.850	14.841	-0.017	-0.017	0.000	0.000	0.000	0.000
55	C	58	VAL	0	-0.015	-0.003	10.270	-0.001	-0.001	0.000	0.000	0.000	0.000
56	C	59	GLN	0	-0.030	-0.029	13.555	0.007	0.007	0.000	0.000	0.000	0.000
57	C	60	HIS	0	0.003	0.039	11.963	-0.031	-0.031	0.000	0.000	0.000	0.000
58	C	61	ASN	0	0.084	0.027	13.797	-0.026	-0.026	0.000	0.000	0.000	0.000
59	C	62	VAL	0	0.036	0.008	17.198	-0.011	-0.011	0.000	0.000	0.000	0.000
60	C	63	ALA	0	0.002	0.023	20.854	-0.013	-0.013	0.000	0.000	0.000	0.000
61	C	64	ARG	1	0.851	0.917	22.351	-0.097	-0.097	0.000	0.000	0.000	0.000
62	C	65	GLY	0	0.007	0.019	23.966	-0.007	-0.007	0.000	0.000	0.000	0.000
63	C	66	PRO	0	-0.020	0.010	23.068	0.008	0.008	0.000	0.000	0.000	0.000
64	C	67	ALA	0	0.010	0.010	18.521	0.006	0.006	0.000	0.000	0.000	0.000
65	C	68	LYS	1	0.871	0.924	19.152	-0.063	-0.063	0.000	0.000	0.000	0.000
66	C	69	GLY	0	0.100	0.040	17.555	0.018	0.018	0.000	0.000	0.000	0.000
67	C	70	GLY	0	-0.002	0.009	18.554	-0.010	-0.010	0.000	0.000	0.000	0.000
68	C	71	ILE	0	-0.027	-0.011	17.104	-0.002	-0.002	0.000	0.000	0.000	0.000
69	C	72	ARG	1	0.828	0.902	12.680	-0.009	-0.009	0.000	0.000	0.000	0.000
70	C	73	TYR	0	-0.017	-0.009	17.385	-0.016	-0.016	0.000	0.000	0.000	0.000
71	C	74	HIS	0	0.047	0.012	14.982	-0.006	-0.006	0.000	0.000	0.000	0.000
72	C	75	PRO	0	-0.006	0.005	16.451	-0.024	-0.024	0.000	0.000	0.000	0.000
73	C	76	ASP	-1	-0.829	-0.926	12.330	0.007	0.007	0.000	0.000	0.000	0.000
74	C	77	VAL	0	-0.073	-0.008	11.481	-0.051	-0.051	0.000	0.000	0.000	0.000
75	C	78	THR	0	0.026	0.002	7.445	-0.204	-0.204	0.000	0.000	0.000	0.000
76	C	79	LEU	0	0.041	0.007	7.750	0.020	0.020	0.000	0.000	0.000	0.000
77	C	80	ASP	-1	-0.788	-0.873	1.741	-13.250	-21.166	17.294	-5.617	-3.761	-0.057
78	C	81	GLU	-1	-0.743	-0.867	4.659	0.424	0.451	-0.001	-0.006	-0.020	0.000
79	C	82	VAL	0	-0.020	-0.011	6.924	0.269	0.269	0.000	0.000	0.000	0.000
80	C	83	LYS	1	0.835	0.914	3.607	-0.580	-0.412	-0.001	-0.062	-0.106	0.000
81	C	84	ALA	0	0.023	0.023	5.298	0.235	0.235	0.000	0.000	0.000	0.000
82	C	85	LEU	0	0.000	-0.004	7.169	0.003	0.003	0.000	0.000	0.000	0.000
83	C	86	ALA	0	-0.025	-0.011	10.491	0.001	0.001	0.000	0.000	0.000	0.000
84	C	87	PHE	0	0.001	0.001	9.391	0.013	0.013	0.000	0.000	0.000	0.000
85	C	88	TRP	0	0.023	0.008	9.842	-0.014	-0.014	0.000	0.000	0.000	0.000
86	C	89	MET	0	-0.070	-0.026	13.003	-0.037	-0.037	0.000	0.000	0.000	0.000
87	C	90	THR	0	-0.019	-0.026	14.969	-0.037	-0.037	0.000	0.000	0.000	0.000
88	C	91	TRP	0	0.024	-0.002	12.339	-0.067	-0.067	0.000	0.000	0.000	0.000
89	C	92	LYS	1	0.865	0.949	17.107	-0.154	-0.154	0.000	0.000	0.000	0.000
90	C	93	THR	0	-0.033	-0.036	18.971	-0.013	-0.013	0.000	0.000	0.000	0.000
91	C	94	ALA	0	-0.007	0.019	20.185	-0.013	-0.013	0.000	0.000	0.000	0.000
92	C	95	VAL	0	0.013	0.007	20.967	-0.014	-0.014	0.000	0.000	0.000	0.000
93	C	96	MET	0	-0.029	-0.012	22.839	-0.010	-0.010	0.000	0.000	0.000	0.000
94	C	97	ASN	0	-0.018	-0.009	24.888	-0.005	-0.005	0.000	0.000	0.000	0.000
95	C	98	LEU	0	0.026	0.014	23.585	-0.006	-0.006	0.000	0.000	0.000	0.000
96	C	99	PRO	0	-0.011	0.019	25.149	0.007	0.007	0.000	0.000	0.000	0.000
97	C	100	PHE	0	-0.008	-0.031	22.315	-0.006	-0.006	0.000	0.000	0.000	0.000
98	C	101	GLY	0	0.014	0.015	20.168	0.005	0.005	0.000	0.000	0.000	0.000
99	C	102	GLY	0	0.016	0.005	16.342	-0.002	-0.002	0.000	0.000	0.000	0.000
100	C	103	GLY	0	-0.029	-0.030	14.987	0.011	0.011	0.000	0.000	0.000	0.000
101	C	104	LYS	1	0.805	0.902	12.643	-0.054	-0.054	0.000	0.000	0.000	0.000
102	C	105	GLY	0	0.024	0.005	14.278	-0.009	-0.009	0.000	0.000	0.000	0.000
103	C	106	GLY	0	-0.009	-0.002	15.091	0.009	0.009	0.000	0.000	0.000	0.000
104	C	107	VAL	0	-0.005	0.005	16.033	-0.012	-0.012	0.000	0.000	0.000	0.000
105	C	108	ARG	1	0.870	0.937	13.025	0.209	0.209	0.000	0.000	0.000	0.000
106	C	109	VAL	0	0.015	0.004	17.117	0.005	0.005	0.000	0.000	0.000	0.000
107	C	110	ASP	-1	-0.784	-0.875	20.060	0.016	0.016	0.000	0.000	0.000	0.000
108	C	111	PRO	0	0.003	-0.009	21.825	0.000	0.000	0.000	0.000	0.000	0.000
109	C	112	LYS	1	0.891	0.945	24.331	-0.031	-0.031	0.000	0.000	0.000	0.000
110	C	113	LYS	1	0.830	0.898	24.683	-0.008	-0.008	0.000	0.000	0.000	0.000
111	C	114	LEU	0	0.020	0.029	25.674	-0.003	-0.003	0.000	0.000	0.000	0.000
112	C	115	SER	0	0.005	-0.023	29.311	0.004	0.004	0.000	0.000	0.000	0.000
113	C	116	ARG	1	0.848	0.890	31.219	-0.012	-0.012	0.000	0.000	0.000	0.000
114	C	117	ARG	1	0.957	0.970	32.335	-0.002	-0.002	0.000	0.000	0.000	0.000
115	C	118	GLU	-1	-0.774	-0.844	29.917	-0.011	-0.011	0.000	0.000	0.000	0.000
116	C	119	LEU	0	0.024	0.024	25.002	-0.003	-0.003	0.000	0.000	0.000	0.000
117	C	120	GLU	-1	-0.821	-0.863	27.745	-0.001	-0.001	0.000	0.000	0.000	0.000
118	C	121	ARG	1	0.812	0.844	29.539	0.008	0.008	0.000	0.000	0.000	0.000
119	C	122	LEU	0	0.013	0.015	22.617	-0.001	-0.001	0.000	0.000	0.000	0.000
120	C	123	SER	0	-0.023	-0.019	24.992	-0.002	-0.002	0.000	0.000	0.000	0.000
121	C	124	ARG	1	0.742	0.846	25.992	0.001	0.001	0.000	0.000	0.000	0.000
122	C	125	ARG	1	0.808	0.890	26.200	0.031	0.031	0.000	0.000	0.000	0.000
123	C	126	PHE	0	0.009	-0.001	17.983	-0.002	-0.002	0.000	0.000	0.000	0.000
124	C	127	PHE	0	0.016	-0.006	23.343	0.000	0.000	0.000	0.000	0.000	0.000
125	C	128	ARG	1	0.860	0.901	24.962	0.011	0.011	0.000	0.000	0.000	0.000
126	C	129	GLU	-1	-0.852	-0.900	23.244	-0.035	-0.035	0.000	0.000	0.000	0.000
127	C	130	ILE	0	-0.036	-0.026	19.381	0.000	0.000	0.000	0.000	0.000	0.000
128	C	131	GLN	0	-0.016	-0.005	22.327	0.009	0.009	0.000	0.000	0.000	0.000
129	C	132	VAL	0	-0.008	-0.001	24.400	0.004	0.004	0.000	0.000	0.000	0.000
130	C	133	ILE	0	-0.072	-0.035	19.116	0.005	0.005	0.000	0.000	0.000	0.000
131	C	134	ILE	0	-0.035	-0.002	21.214	0.011	0.011	0.000	0.000	0.000	0.000
132	C	135	GLY	0	0.073	0.028	23.750	-0.004	-0.004	0.000	0.000	0.000	0.000
133	C	136	PRO	0	0.032	0.025	26.284	0.005	0.005	0.000	0.000	0.000	0.000
134	C	137	TYR	0	0.028	0.015	28.340	0.003	0.003	0.000	0.000	0.000	0.000
135	C	138	ASN	0	-0.074	-0.045	24.574	0.000	0.000	0.000	0.000	0.000	0.000
136	C	139	ASP	-1	-0.770	-0.859	19.455	0.058	0.058	0.000	0.000	0.000	0.000
137	C	140	ILE	0	0.016	0.040	22.492	-0.007	-0.007	0.000	0.000	0.000	0.000
138	C	141	PRO	0	0.002	0.008	21.167	0.006	0.006	0.000	0.000	0.000	0.000
139	C	142	ALA	0	0.053	0.028	21.638	0.002	0.002	0.000	0.000	0.000	0.000
140	C	143	PRO	0	0.033	0.021	21.632	-0.004	-0.004	0.000	0.000	0.000	0.000
141	C	144	ASP	-1	-0.802	-0.870	16.617	0.054	0.054	0.000	0.000	0.000	0.000
142	C	145	VAL	0	-0.009	-0.014	16.895	-0.001	-0.001	0.000	0.000	0.000	0.000
143	C	146	ASN	0	-0.068	-0.046	19.314	-0.004	-0.004	0.000	0.000	0.000	0.000
144	C	147	THR	0	0.016	0.009	21.038	-0.003	-0.003	0.000	0.000	0.000	0.000
145	C	148	ASN	0	-0.020	-0.050	23.468	0.004	0.004	0.000	0.000	0.000	0.000
146	C	149	ALA	0	0.100	0.045	26.606	-0.002	-0.002	0.000	0.000	0.000	0.000
147	C	150	ASP	-1	-0.803	-0.859	29.646	0.015	0.015	0.000	0.000	0.000	0.000
148	C	151	VAL	0	-0.012	-0.005	24.357	-0.002	-0.002	0.000	0.000	0.000	0.000
149	C	152	ILE	0	-0.014	-0.004	23.928	-0.002	-0.002	0.000	0.000	0.000	0.000
150	C	153	ALA	0	0.030	0.016	27.759	0.000	0.000	0.000	0.000	0.000	0.000
151	C	154	TRP	0	-0.023	-0.022	28.529	-0.001	-0.001	0.000	0.000	0.000	0.000
152	C	155	TYR	0	-0.020	-0.027	22.558	-0.002	-0.002	0.000	0.000	0.000	0.000
153	C	156	MET	0	-0.029	0.008	28.268	-0.001	-0.001	0.000	0.000	0.000	0.000
154	C	157	ASP	-1	-0.814	-0.890	31.052	0.003	0.003	0.000	0.000	0.000	0.000
155	C	158	GLU	-1	-0.784	-0.860	29.885	-0.007	-0.007	0.000	0.000	0.000	0.000
156	C	159	TYR	0	0.029	0.017	27.770	0.000	0.000	0.000	0.000	0.000	0.000
157	C	160	GLU	-1	-0.748	-0.882	31.256	0.013	0.013	0.000	0.000	0.000	0.000
158	C	161	MET	0	-0.044	-0.018	34.913	-0.001	-0.001	0.000	0.000	0.000	0.000
159	C	162	ASN	0	-0.102	-0.057	32.073	-0.003	-0.003	0.000	0.000	0.000	0.000
160	C	163	VAL	0	-0.037	-0.017	32.479	0.000	0.000	0.000	0.000	0.000	0.000
161	C	164	GLY	0	-0.011	0.008	35.205	0.000	0.000	0.000	0.000	0.000	0.000
162	C	165	HIS	0	-0.080	-0.055	36.534	0.000	0.000	0.000	0.000	0.000	0.000
163	C	166	THR	0	0.026	0.019	37.026	0.000	0.000	0.000	0.000	0.000	0.000
164	C	167	VAL	0	-0.097	-0.047	31.970	0.001	0.001	0.000	0.000	0.000	0.000
165	C	168	LEU	0	0.041	0.016	33.168	0.002	0.002	0.000	0.000	0.000	0.000
166	C	169	GLY	0	0.005	0.001	30.883	0.001	0.001	0.000	0.000	0.000	0.000
167	C	170	ILE	0	-0.040	-0.019	26.640	0.003	0.003	0.000	0.000	0.000	0.000
168	C	171	VAL	0	-0.050	-0.025	25.501	0.001	0.001	0.000	0.000	0.000	0.000
169	C	172	THR	0	-0.020	0.006	25.676	0.001	0.001	0.000	0.000	0.000	0.000
170	C	173	GLY	0	-0.033	-0.035	26.386	0.000	0.000	0.000	0.000	0.000	0.000
171	C	174	LYS	1	0.774	0.869	28.063	-0.029	-0.029	0.000	0.000	0.000	0.000
172	C	175	PRO	0	0.027	0.009	31.122	0.002	0.002	0.000	0.000	0.000	0.000
173	C	176	VAL	0	-0.023	0.008	34.335	0.000	0.000	0.000	0.000	0.000	0.000
174	C	177	GLU	-1	-0.927	-0.977	36.764	0.021	0.021	0.000	0.000	0.000	0.000
175	C	178	LEU	0	-0.040	-0.028	34.292	-0.001	-0.001	0.000	0.000	0.000	0.000
176	C	179	GLY	0	0.072	0.036	35.064	0.000	0.000	0.000	0.000	0.000	0.000
177	C	180	GLY	0	-0.065	-0.011	32.723	0.002	0.002	0.000	0.000	0.000	0.000
178	C	181	SER	0	0.003	-0.017	32.220	-0.001	-0.001	0.000	0.000	0.000	0.000
179	C	182	LYS	1	0.877	0.926	33.837	-0.024	-0.024	0.000	0.000	0.000	0.000
180	C	183	GLY	0	0.064	0.011	34.682	0.001	0.001	0.000	0.000	0.000	0.000
181	C	184	ARG	1	0.803	0.897	29.032	-0.031	-0.031	0.000	0.000	0.000	0.000
182	C	185	GLU	-1	-0.818	-0.883	29.655	0.038	0.038	0.000	0.000	0.000	0.000
183	C	186	GLU	-1	-0.724	-0.824	30.439	0.041	0.041	0.000	0.000	0.000	0.000
184	C	187	ALA	0	0.002	0.012	28.921	0.003	0.003	0.000	0.000	0.000	0.000
185	C	188	THR	0	-0.008	-0.020	24.342	0.001	0.001	0.000	0.000	0.000	0.000
186	C	189	GLY	0	0.034	0.025	27.354	0.003	0.003	0.000	0.000	0.000	0.000
187	C	190	ARG	1	0.757	0.821	29.974	-0.040	-0.040	0.000	0.000	0.000	0.000
188	C	191	GLY	0	0.007	-0.002	28.126	-0.001	-0.001	0.000	0.000	0.000	0.000
189	C	192	VAL	0	0.061	0.033	26.324	0.000	0.000	0.000	0.000	0.000	0.000
190	C	193	LYS	1	0.847	0.909	28.810	-0.043	-0.043	0.000	0.000	0.000	0.000
191	C	194	VAL	0	-0.042	-0.021	31.510	-0.002	-0.002	0.000	0.000	0.000	0.000
192	C	195	CYS	0	-0.069	-0.018	28.120	0.000	0.000	0.000	0.000	0.000	0.000
193	C	196	ALA	0	0.031	0.008	30.412	-0.001	-0.001	0.000	0.000	0.000	0.000
194	C	197	GLY	0	0.007	0.006	32.370	-0.002	-0.002	0.000	0.000	0.000	0.000
195	C	198	LEU	0	0.010	0.009	32.491	-0.001	-0.001	0.000	0.000	0.000	0.000
196	C	199	ALA	0	-0.022	-0.012	30.941	-0.001	-0.001	0.000	0.000	0.000	0.000
197	C	200	MET	0	-0.030	-0.002	32.912	-0.002	-0.002	0.000	0.000	0.000	0.000
198	C	201	ASP	-1	-0.889	-0.941	36.320	0.039	0.039	0.000	0.000	0.000	0.000
199	C	202	VAL	0	-0.056	-0.034	32.740	-0.002	-0.002	0.000	0.000	0.000	0.000
200	C	203	LEU	0	-0.050	-0.020	32.663	-0.001	-0.001	0.000	0.000	0.000	0.000
201	C	204	GLY	0	-0.017	0.006	36.650	-0.002	-0.002	0.000	0.000	0.000	0.000
202	C	205	ILE	0	-0.097	-0.048	36.465	-0.002	-0.002	0.000	0.000	0.000	0.000
203	C	206	ASP	-1	-0.800	-0.909	40.299	0.032	0.032	0.000	0.000	0.000	0.000
204	C	207	PRO	0	0.028	-0.002	39.611	0.001	0.001	0.000	0.000	0.000	0.000
205	C	208	LYS	1	0.976	1.009	40.854	-0.028	-0.028	0.000	0.000	0.000	0.000
206	C	209	LYS	1	0.920	0.950	43.342	-0.031	-0.031	0.000	0.000	0.000	0.000
207	C	210	ALA	0	-0.008	0.015	38.195	0.000	0.000	0.000	0.000	0.000	0.000
208	C	211	THR	0	-0.016	-0.017	38.285	0.000	0.000	0.000	0.000	0.000	0.000
209	C	212	VAL	0	0.011	-0.008	33.009	0.002	0.002	0.000	0.000	0.000	0.000
210	C	213	ALA	0	0.027	0.028	31.848	-0.002	-0.002	0.000	0.000	0.000	0.000
211	C	214	VAL	0	-0.006	-0.016	29.144	0.003	0.003	0.000	0.000	0.000	0.000
212	C	215	GLN	0	0.022	0.008	23.896	0.003	0.003	0.000	0.000	0.000	0.000
213	C	216	GLY	0	0.027	0.011	25.670	0.007	0.007	0.000	0.000	0.000	0.000
214	C	217	PHE	0	0.033	0.003	27.305	-0.004	-0.004	0.000	0.000	0.000	0.000
215	C	218	GLY	0	0.039	0.030	26.853	-0.004	-0.004	0.000	0.000	0.000	0.000
216	C	219	ASN	0	-0.052	-0.044	27.398	-0.003	-0.003	0.000	0.000	0.000	0.000
217	C	220	VAL	0	0.031	0.010	24.271	-0.002	-0.002	0.000	0.000	0.000	0.000
218	C	221	GLY	0	0.065	0.038	27.614	-0.001	-0.001	0.000	0.000	0.000	0.000
219	C	222	GLN	0	-0.046	-0.032	29.139	-0.005	-0.005	0.000	0.000	0.000	0.000
220	C	223	PHE	0	0.061	0.015	31.276	-0.002	-0.002	0.000	0.000	0.000	0.000
221	C	224	ALA	0	0.007	0.015	29.658	-0.001	-0.001	0.000	0.000	0.000	0.000
222	C	225	ALA	0	0.007	0.007	31.798	-0.002	-0.002	0.000	0.000	0.000	0.000
223	C	226	LEU	0	-0.013	-0.003	34.316	-0.002	-0.002	0.000	0.000	0.000	0.000
224	C	227	LEU	0	-0.017	-0.011	33.829	-0.002	-0.002	0.000	0.000	0.000	0.000
225	C	228	ILE	0	0.009	0.004	32.167	-0.001	-0.001	0.000	0.000	0.000	0.000
226	C	229	SER	0	-0.029	-0.001	36.628	-0.002	-0.002	0.000	0.000	0.000	0.000
227	C	230	GLN	0	-0.027	-0.027	39.611	-0.003	-0.003	0.000	0.000	0.000	0.000
228	C	231	GLU	-1	-0.818	-0.883	38.985	0.037	0.037	0.000	0.000	0.000	0.000
229	C	232	LEU	0	-0.067	-0.025	35.975	0.000	0.000	0.000	0.000	0.000	0.000
230	C	233	GLY	0	-0.009	0.001	40.501	-0.001	-0.001	0.000	0.000	0.000	0.000
231	C	234	SER	0	-0.036	-0.027	38.125	0.000	0.000	0.000	0.000	0.000	0.000
232	C	235	LYS	1	0.859	0.927	40.089	-0.033	-0.033	0.000	0.000	0.000	0.000
233	C	236	VAL	0	0.028	0.007	35.290	0.002	0.002	0.000	0.000	0.000	0.000
234	C	237	VAL	0	0.000	0.010	36.922	-0.002	-0.002	0.000	0.000	0.000	0.000
235	C	238	ALA	0	0.011	0.008	34.004	-0.001	-0.001	0.000	0.000	0.000	0.000
236	C	239	VAL	0	-0.028	0.006	32.326	0.002	0.002	0.000	0.000	0.000	0.000
237	C	240	SER	0	0.014	-0.014	28.077	-0.002	-0.002	0.000	0.000	0.000	0.000
238	C	241	ASP	-1	-0.772	-0.872	28.970	0.055	0.055	0.000	0.000	0.000	0.000
239	C	242	SER	0	-0.003	-0.028	26.226	0.004	0.004	0.000	0.000	0.000	0.000
240	C	243	ARG	1	0.867	0.931	27.253	-0.045	-0.045	0.000	0.000	0.000	0.000
241	C	244	GLY	0	0.022	0.030	29.831	-0.001	-0.001	0.000	0.000	0.000	0.000
242	C	245	GLY	0	0.008	-0.020	31.126	0.001	0.001	0.000	0.000	0.000	0.000
243	C	246	ILE	0	-0.079	-0.018	33.074	-0.002	-0.002	0.000	0.000	0.000	0.000
244	C	247	TYR	0	0.063	0.020	35.969	0.002	0.002	0.000	0.000	0.000	0.000
245	C	248	ASN	0	0.036	-0.008	38.198	-0.003	-0.003	0.000	0.000	0.000	0.000
246	C	249	PRO	0	0.004	0.011	41.303	0.001	0.001	0.000	0.000	0.000	0.000
247	C	250	GLU	-1	-0.842	-0.896	42.346	0.028	0.028	0.000	0.000	0.000	0.000
248	C	251	GLY	0	-0.022	-0.007	41.417	0.000	0.000	0.000	0.000	0.000	0.000
249	C	252	PHE	0	-0.067	-0.033	38.147	-0.001	-0.001	0.000	0.000	0.000	0.000
250	C	253	ASP	-1	-0.803	-0.891	41.358	0.031	0.031	0.000	0.000	0.000	0.000
251	C	254	VAL	0	-0.001	-0.020	36.477	0.001	0.001	0.000	0.000	0.000	0.000
252	C	255	GLU	-1	-0.750	-0.846	38.781	0.032	0.032	0.000	0.000	0.000	0.000
253	C	256	GLU	-1	-0.862	-0.914	40.970	0.028	0.028	0.000	0.000	0.000	0.000
254	C	257	LEU	0	0.005	0.002	37.098	0.000	0.000	0.000	0.000	0.000	0.000
255	C	258	ILE	0	-0.053	-0.026	35.585	0.001	0.001	0.000	0.000	0.000	0.000
256	C	259	ARG	1	0.746	0.847	37.639	-0.030	-0.030	0.000	0.000	0.000	0.000
257	C	260	TYR	0	0.018	-0.002	38.511	-0.001	-0.001	0.000	0.000	0.000	0.000
258	C	261	LYS	1	0.772	0.881	30.407	-0.049	-0.049	0.000	0.000	0.000	0.000
259	C	262	LYS	1	0.847	0.930	34.654	-0.035	-0.035	0.000	0.000	0.000	0.000
260	C	263	GLU	-1	-0.861	-0.914	37.123	0.025	0.025	0.000	0.000	0.000	0.000
261	C	264	HIS	1	0.799	0.892	38.500	-0.030	-0.030	0.000	0.000	0.000	0.000
262	C	265	GLY	0	0.018	0.018	34.537	0.001	0.001	0.000	0.000	0.000	0.000
263	C	266	THR	0	-0.081	-0.045	31.760	0.004	0.004	0.000	0.000	0.000	0.000
264	C	267	VAL	0	0.086	0.045	33.087	-0.002	-0.002	0.000	0.000	0.000	0.000
265	C	268	VAL	0	-0.018	0.008	33.099	-0.002	-0.002	0.000	0.000	0.000	0.000
266	C	269	THR	0	-0.028	-0.038	36.027	-0.001	-0.001	0.000	0.000	0.000	0.000
267	C	270	TYR	0	-0.058	-0.027	39.175	-0.002	-0.002	0.000	0.000	0.000	0.000
268	C	271	PRO	0	0.006	0.008	41.054	0.001	0.001	0.000	0.000	0.000	0.000
269	C	272	LYS	1	0.822	0.887	43.253	-0.029	-0.029	0.000	0.000	0.000	0.000
270	C	273	GLY	0	0.022	0.008	41.029	0.001	0.001	0.000	0.000	0.000	0.000
271	C	274	GLU	-1	-0.927	-0.950	40.112	0.037	0.037	0.000	0.000	0.000	0.000
272	C	275	ARG	1	0.900	0.941	36.545	-0.037	-0.037	0.000	0.000	0.000	0.000
273	C	276	ILE	0	0.048	0.046	33.342	-0.001	-0.001	0.000	0.000	0.000	0.000
274	C	277	THR	0	-0.035	-0.034	29.859	0.003	0.003	0.000	0.000	0.000	0.000
275	C	278	ASN	0	-0.005	-0.019	26.076	-0.001	-0.001	0.000	0.000	0.000	0.000
276	C	279	GLU	-1	-0.760	-0.856	23.838	0.112	0.112	0.000	0.000	0.000	0.000
277	C	280	GLU	-1	-0.812	-0.909	27.543	0.054	0.054	0.000	0.000	0.000	0.000
278	C	281	LEU	0	-0.038	-0.017	28.999	-0.002	-0.002	0.000	0.000	0.000	0.000
279	C	282	LEU	0	-0.047	-0.022	24.101	-0.002	-0.002	0.000	0.000	0.000	0.000
280	C	283	GLU	-1	-0.861	-0.957	28.014	0.070	0.070	0.000	0.000	0.000	0.000
281	C	284	LEU	0	-0.018	-0.001	30.577	-0.005	-0.005	0.000	0.000	0.000	0.000
282	C	285	ASP	-1	-0.864	-0.916	33.299	0.046	0.046	0.000	0.000	0.000	0.000
283	C	286	VAL	0	-0.026	-0.011	33.086	-0.002	-0.002	0.000	0.000	0.000	0.000
284	C	287	ASP	-1	-0.822	-0.886	34.751	0.042	0.042	0.000	0.000	0.000	0.000
285	C	288	ILE	0	-0.026	-0.016	30.829	0.002	0.002	0.000	0.000	0.000	0.000
286	C	289	LEU	0	0.015	0.021	26.816	-0.001	-0.001	0.000	0.000	0.000	0.000
287	C	290	VAL	0	-0.013	-0.012	27.232	0.003	0.003	0.000	0.000	0.000	0.000
288	C	291	PRO	0	0.022	0.024	22.609	-0.002	-0.002	0.000	0.000	0.000	0.000
289	C	292	ALA	0	-0.026	-0.035	23.352	0.005	0.005	0.000	0.000	0.000	0.000
290	C	293	ALA	0	-0.036	-0.020	22.730	-0.007	-0.007	0.000	0.000	0.000	0.000
291	C	294	LEU	0	-0.035	-0.025	18.112	-0.002	-0.002	0.000	0.000	0.000	0.000
292	C	295	GLU	-1	-0.910	-0.949	11.820	0.276	0.276	0.000	0.000	0.000	0.000
293	C	296	GLY	0	-0.013	-0.020	15.822	0.005	0.005	0.000	0.000	0.000	0.000
294	C	297	ALA	0	-0.028	-0.007	16.478	-0.008	-0.008	0.000	0.000	0.000	0.000
295	C	298	ILE	0	-0.024	-0.001	19.769	-0.013	-0.013	0.000	0.000	0.000	0.000
296	C	299	HIS	0	0.032	-0.001	18.177	0.016	0.016	0.000	0.000	0.000	0.000
297	C	300	ALA	0	0.036	0.002	18.487	-0.016	-0.016	0.000	0.000	0.000	0.000
298	C	301	GLY	0	-0.032	0.003	20.303	-0.012	-0.012	0.000	0.000	0.000	0.000
299	C	302	ASN	0	0.007	-0.017	22.814	-0.009	-0.009	0.000	0.000	0.000	0.000
300	C	303	ALA	0	0.032	0.022	21.694	-0.008	-0.008	0.000	0.000	0.000	0.000
301	C	304	GLU	-1	-0.797	-0.889	23.844	0.053	0.053	0.000	0.000	0.000	0.000
302	C	305	ARG	1	0.785	0.909	26.957	-0.073	-0.073	0.000	0.000	0.000	0.000
303	C	306	ILE	0	0.012	0.015	24.573	-0.004	-0.004	0.000	0.000	0.000	0.000
304	C	307	LYS	1	0.845	0.913	28.858	-0.050	-0.050	0.000	0.000	0.000	0.000
305	C	308	ALA	0	-0.040	0.002	29.575	-0.002	-0.002	0.000	0.000	0.000	0.000
306	C	309	LYS	1	0.904	0.944	30.218	-0.041	-0.041	0.000	0.000	0.000	0.000
307	C	310	ALA	0	0.007	0.009	29.323	0.000	0.000	0.000	0.000	0.000	0.000
308	C	311	VAL	0	0.021	0.007	23.999	0.000	0.000	0.000	0.000	0.000	0.000
309	C	312	VAL	0	-0.019	-0.010	25.692	0.004	0.004	0.000	0.000	0.000	0.000
310	C	313	GLU	-1	-0.715	-0.824	19.926	0.134	0.134	0.000	0.000	0.000	0.000
311	C	314	GLY	0	0.033	0.015	22.914	0.000	0.000	0.000	0.000	0.000	0.000
312	C	315	ALA	0	-0.053	-0.014	19.556	-0.004	-0.004	0.000	0.000	0.000	0.000
313	C	316	ASN	0	-0.018	-0.037	15.408	-0.002	-0.002	0.000	0.000	0.000	0.000
314	C	317	GLY	0	0.072	0.035	14.509	0.006	0.006	0.000	0.000	0.000	0.000
315	C	318	PRO	0	-0.050	-0.015	15.572	0.013	0.013	0.000	0.000	0.000	0.000
316	C	319	THR	0	-0.047	-0.029	17.909	-0.001	-0.001	0.000	0.000	0.000	0.000
317	C	320	THR	0	-0.035	-0.035	14.117	0.012	0.012	0.000	0.000	0.000	0.000
318	C	321	PRO	0	0.028	0.007	11.254	-0.019	-0.019	0.000	0.000	0.000	0.000
319	C	322	GLU	-1	-0.774	-0.873	14.228	0.167	0.167	0.000	0.000	0.000	0.000
320	C	323	ALA	0	-0.036	-0.015	16.978	-0.014	-0.014	0.000	0.000	0.000	0.000
321	C	324	ASP	-1	-0.774	-0.859	17.313	0.113	0.113	0.000	0.000	0.000	0.000
322	C	325	GLU	-1	-0.944	-0.949	17.522	0.043	0.043	0.000	0.000	0.000	0.000
323	C	326	ILE	0	-0.059	-0.019	20.519	-0.008	-0.008	0.000	0.000	0.000	0.000
324	C	327	LEU	0	-0.021	-0.019	22.208	-0.007	-0.007	0.000	0.000	0.000	0.000
325	C	328	SER	0	-0.041	-0.037	22.198	-0.008	-0.008	0.000	0.000	0.000	0.000
326	C	329	ARG	1	0.816	0.878	24.483	-0.058	-0.058	0.000	0.000	0.000	0.000
327	C	330	ARG	1	0.762	0.881	26.395	-0.066	-0.066	0.000	0.000	0.000	0.000
328	C	331	GLY	0	-0.009	0.005	28.170	-0.002	-0.002	0.000	0.000	0.000	0.000
329	C	332	ILE	0	-0.061	-0.015	26.961	-0.001	-0.001	0.000	0.000	0.000	0.000
330	C	333	LEU	0	-0.009	-0.008	26.783	0.004	0.004	0.000	0.000	0.000	0.000
331	C	334	VAL	0	0.017	0.010	21.380	0.000	0.000	0.000	0.000	0.000	0.000
332	C	335	VAL	0	-0.016	-0.021	24.312	0.001	0.001	0.000	0.000	0.000	0.000
333	C	336	PRO	0	-0.011	0.007	20.019	0.003	0.003	0.000	0.000	0.000	0.000
334	C	337	ASP	-1	-0.713	-0.867	16.612	0.167	0.167	0.000	0.000	0.000	0.000
335	C	338	ILE	0	-0.117	-0.074	16.143	-0.007	-0.007	0.000	0.000	0.000	0.000
336	C	339	LEU	0	0.017	0.005	19.163	-0.005	-0.005	0.000	0.000	0.000	0.000
337	C	340	ALA	0	0.013	-0.006	23.014	-0.007	-0.007	0.000	0.000	0.000	0.000
338	C	341	ASN	0	-0.033	-0.021	19.699	-0.005	-0.005	0.000	0.000	0.000	0.000
339	C	342	ALA	0	0.013	-0.004	22.112	-0.002	-0.002	0.000	0.000	0.000	0.000
340	C	343	GLY	0	0.051	0.011	23.129	-0.004	-0.004	0.000	0.000	0.000	0.000
341	C	344	GLY	0	0.004	0.008	24.965	-0.005	-0.005	0.000	0.000	0.000	0.000
342	C	345	VAL	0	0.008	-0.006	20.589	-0.005	-0.005	0.000	0.000	0.000	0.000
343	C	346	THR	0	-0.003	0.003	23.825	-0.003	-0.003	0.000	0.000	0.000	0.000
344	C	347	VAL	0	0.009	-0.003	27.070	-0.004	-0.004	0.000	0.000	0.000	0.000
345	C	348	SER	0	-0.018	-0.012	25.159	-0.004	-0.004	0.000	0.000	0.000	0.000
346	C	349	TYR	0	-0.008	0.004	26.761	-0.002	-0.002	0.000	0.000	0.000	0.000
347	C	350	PHE	0	0.045	0.001	28.093	-0.003	-0.003	0.000	0.000	0.000	0.000
348	C	351	GLU	-1	-0.804	-0.869	29.727	0.031	0.031	0.000	0.000	0.000	0.000
349	C	352	TRP	0	0.031	0.021	28.530	0.000	0.000	0.000	0.000	0.000	0.000
350	C	353	VAL	0	-0.029	-0.017	30.650	-0.002	-0.002	0.000	0.000	0.000	0.000
351	C	354	GLN	0	-0.037	-0.036	33.377	-0.004	-0.004	0.000	0.000	0.000	0.000
352	C	355	ASP	-1	-0.758	-0.888	31.672	0.027	0.027	0.000	0.000	0.000	0.000
353	C	356	LEU	0	-0.038	-0.020	31.740	-0.002	-0.002	0.000	0.000	0.000	0.000
354	C	357	GLN	0	-0.064	-0.013	35.475	-0.002	-0.002	0.000	0.000	0.000	0.000
355	C	358	SER	0	-0.045	-0.019	38.011	-0.002	-0.002	0.000	0.000	0.000	0.000
356	C	359	PHE	0	-0.023	0.001	39.394	-0.001	-0.001	0.000	0.000	0.000	0.000
357	C	360	PHE	0	0.006	0.002	35.480	0.001	0.001	0.000	0.000	0.000	0.000
358	C	361	TRP	0	0.015	0.006	35.287	0.000	0.000	0.000	0.000	0.000	0.000
359	C	362	ASP	-1	-0.840	-0.895	39.885	0.026	0.026	0.000	0.000	0.000	0.000
360	C	363	LEU	0	0.027	0.003	37.398	0.001	0.001	0.000	0.000	0.000	0.000
361	C	364	ASP	-1	-0.808	-0.890	38.528	0.031	0.031	0.000	0.000	0.000	0.000
362	C	365	GLN	0	-0.025	-0.025	39.933	0.002	0.002	0.000	0.000	0.000	0.000
363	C	366	VAL	0	-0.002	0.005	33.948	0.002	0.002	0.000	0.000	0.000	0.000
364	C	367	ARG	1	0.767	0.850	35.039	-0.030	-0.030	0.000	0.000	0.000	0.000
365	C	368	ASN	0	-0.020	-0.027	35.939	0.002	0.002	0.000	0.000	0.000	0.000
366	C	369	ALA	0	-0.007	0.008	34.874	0.001	0.001	0.000	0.000	0.000	0.000
367	C	370	LEU	0	-0.009	0.004	29.304	0.003	0.003	0.000	0.000	0.000	0.000
368	C	371	GLU	-1	-0.763	-0.869	32.319	0.047	0.047	0.000	0.000	0.000	0.000
369	C	372	LYS	1	0.944	0.987	34.694	-0.037	-0.037	0.000	0.000	0.000	0.000
370	C	373	MET	0	-0.018	-0.011	29.132	0.000	0.000	0.000	0.000	0.000	0.000
371	C	374	MET	0	-0.026	0.002	26.687	0.004	0.004	0.000	0.000	0.000	0.000
372	C	375	LYS	1	0.897	0.942	30.223	-0.042	-0.042	0.000	0.000	0.000	0.000
373	C	376	GLY	0	-0.011	0.006	32.302	0.000	0.000	0.000	0.000	0.000	0.000
374	C	377	ALA	0	0.040	0.017	26.518	0.001	0.001	0.000	0.000	0.000	0.000
375	C	378	PHE	0	0.053	0.015	27.853	0.004	0.004	0.000	0.000	0.000	0.000
376	C	379	ASN	0	-0.012	-0.022	29.083	-0.002	-0.002	0.000	0.000	0.000	0.000
377	C	380	ASP	-1	-0.847	-0.902	28.475	0.058	0.058	0.000	0.000	0.000	0.000
378	C	381	VAL	0	-0.002	-0.005	24.401	0.001	0.001	0.000	0.000	0.000	0.000
379	C	382	MET	0	-0.010	0.005	26.859	0.002	0.002	0.000	0.000	0.000	0.000
380	C	383	LYS	1	0.896	0.940	29.786	-0.053	-0.053	0.000	0.000	0.000	0.000
381	C	384	VAL	0	-0.029	-0.017	24.635	-0.003	-0.003	0.000	0.000	0.000	0.000
382	C	385	LYS	1	0.891	0.930	26.170	-0.060	-0.060	0.000	0.000	0.000	0.000
383	C	386	GLU	-1	-0.942	-0.972	27.578	0.043	0.043	0.000	0.000	0.000	0.000
384	C	387	LYS	1	0.863	0.937	27.644	-0.060	-0.060	0.000	0.000	0.000	0.000
385	C	388	TYR	0	0.004	-0.004	25.967	0.000	0.000	0.000	0.000	0.000	0.000
386	C	389	ASN	0	-0.032	-0.006	27.152	0.000	0.000	0.000	0.000	0.000	0.000
387	C	390	VAL	0	0.020	0.043	22.843	0.000	0.000	0.000	0.000	0.000	0.000
388	C	391	ASP	-1	-0.729	-0.837	20.573	0.094	0.094	0.000	0.000	0.000	0.000
389	C	392	MET	0	0.027	-0.002	23.318	0.002	0.002	0.000	0.000	0.000	0.000
390	C	393	ARG	1	0.742	0.821	16.256	-0.139	-0.139	0.000	0.000	0.000	0.000
391	C	394	THR	0	-0.021	-0.052	18.972	0.016	0.016	0.000	0.000	0.000	0.000
392	C	395	ALA	0	-0.012	0.009	19.908	0.004	0.004	0.000	0.000	0.000	0.000
393	C	396	ALA	0	-0.001	-0.002	20.672	0.000	0.000	0.000	0.000	0.000	0.000
394	C	397	TYR	0	0.000	-0.011	13.812	0.010	0.010	0.000	0.000	0.000	0.000
395	C	398	ILE	0	0.031	0.014	18.495	0.008	0.008	0.000	0.000	0.000	0.000
396	C	399	LEU	0	-0.027	-0.008	21.088	-0.001	-0.001	0.000	0.000	0.000	0.000
397	C	400	ALA	0	-0.037	-0.012	18.758	-0.003	-0.003	0.000	0.000	0.000	0.000
398	C	401	ILE	0	0.012	-0.006	15.948	0.001	0.001	0.000	0.000	0.000	0.000
399	C	402	ASP	-1	-0.948	-0.961	19.508	0.071	0.071	0.000	0.000	0.000	0.000
400	C	403	ARG	1	0.829	0.906	23.239	-0.087	-0.087	0.000	0.000	0.000	0.000
401	C	404	VAL	0	-0.018	-0.014	18.697	-0.009	-0.009	0.000	0.000	0.000	0.000
402	C	405	ALA	0	0.026	0.037	21.254	-0.006	-0.006	0.000	0.000	0.000	0.000
403	C	406	TYR	0	0.018	0.000	22.451	-0.012	-0.012	0.000	0.000	0.000	0.000
404	C	407	ALA	0	-0.014	-0.018	24.261	-0.007	-0.007	0.000	0.000	0.000	0.000
405	C	408	THR	0	-0.057	-0.047	21.558	-0.002	-0.002	0.000	0.000	0.000	0.000
406	C	409	LYS	1	0.832	0.903	24.280	-0.072	-0.072	0.000	0.000	0.000	0.000
407	C	410	LYS	1	0.879	0.962	26.955	-0.049	-0.049	0.000	0.000	0.000	0.000
408	C	411	ARG	1	0.855	0.943	25.370	-0.068	-0.068	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(C:4:SER)