FMO DATABASE

FMODB ID: 4J2RN

Calculation Name: 1V4A-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1V4A

Chain ID: A

ChEMBL ID:

UniProt ID: P30870

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	429
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8083213.696774
FMO2-HF: Nuclear repulsion	7909955.818397
FMO2-HF: Total energy	-173257.878377
FMO2-MP2: Total energy	-173761.730954

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

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

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

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.
-8.86	-2.69	5.134	-2.836	-8.467	-0.002

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.040 / q_NPA : 0.024

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	PRO	0	-0.004	0.000	3.869	-2.252	-0.653	-0.002	-0.605	-0.993	0.003
4	A	4	LEU	0	0.027	0.032	5.082	0.212	0.405	-0.001	-0.015	-0.176	0.000
5	A	5	SER	0	0.081	0.046	6.829	0.117	0.117	0.000	0.000	0.000	0.000
6	A	6	SER	0	0.031	-0.001	10.258	0.031	0.031	0.000	0.000	0.000	0.000
7	A	7	PRO	0	0.027	0.002	12.797	0.018	0.018	0.000	0.000	0.000	0.000
8	A	8	LEU	0	0.022	0.011	7.827	0.016	0.016	0.000	0.000	0.000	0.000
9	A	9	GLN	0	-0.076	-0.035	9.431	0.114	0.114	0.000	0.000	0.000	0.000
10	A	10	GLN	0	0.001	-0.008	11.942	0.041	0.041	0.000	0.000	0.000	0.000
11	A	11	TYR	0	0.007	0.016	12.783	0.020	0.020	0.000	0.000	0.000	0.000
12	A	12	TRP	0	0.077	0.054	10.844	0.067	0.067	0.000	0.000	0.000	0.000
13	A	13	GLN	0	-0.021	-0.017	12.988	0.015	0.015	0.000	0.000	0.000	0.000
14	A	14	THR	0	-0.085	-0.067	15.958	-0.001	-0.001	0.000	0.000	0.000	0.000
15	A	15	VAL	0	-0.041	-0.022	14.218	-0.004	-0.004	0.000	0.000	0.000	0.000
16	A	16	VAL	0	0.015	0.008	14.168	0.004	0.004	0.000	0.000	0.000	0.000
17	A	17	GLU	-1	-0.927	-0.945	16.624	0.074	0.074	0.000	0.000	0.000	0.000
18	A	18	ARG	1	0.809	0.890	17.492	-0.089	-0.089	0.000	0.000	0.000	0.000
19	A	19	LEU	0	-0.070	-0.008	14.136	0.000	0.000	0.000	0.000	0.000	0.000
20	A	20	PRO	0	-0.023	0.011	18.779	-0.010	-0.010	0.000	0.000	0.000	0.000
21	A	21	GLU	-1	-0.864	-0.923	19.963	0.139	0.139	0.000	0.000	0.000	0.000
22	A	22	PRO	0	-0.085	-0.065	19.739	-0.009	-0.009	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.060	-0.035	15.313	0.020	0.020	0.000	0.000	0.000	0.000
24	A	24	ALA	0	0.108	0.066	17.262	0.001	0.001	0.000	0.000	0.000	0.000
25	A	25	GLU	-1	-0.839	-0.960	13.972	0.278	0.278	0.000	0.000	0.000	0.000
26	A	26	GLU	-1	-0.992	-0.998	12.996	0.205	0.205	0.000	0.000	0.000	0.000
27	A	27	SER	0	-0.123	-0.045	14.347	0.003	0.003	0.000	0.000	0.000	0.000
28	A	28	LEU	0	0.028	0.017	10.516	0.070	0.070	0.000	0.000	0.000	0.000
29	A	29	SER	0	-0.023	-0.015	7.102	0.126	0.126	0.000	0.000	0.000	0.000
30	A	30	ALA	0	-0.048	-0.057	3.425	-0.235	0.018	0.022	-0.056	-0.219	0.000
31	A	31	GLN	0	0.051	0.010	2.859	-0.226	0.247	3.104	-1.081	-2.496	0.003
32	A	32	ALA	0	0.113	0.066	4.192	-0.541	-0.812	0.009	0.378	-0.116	0.000
33	A	33	LYS	1	0.949	1.006	5.459	-1.304	-1.304	0.000	0.000	0.000	0.000
34	A	34	SER	0	-0.104	-0.032	3.631	-1.489	-0.307	0.301	-0.534	-0.948	-0.004
35	A	35	VAL	0	0.050	0.013	5.597	-0.808	-0.808	0.000	0.000	0.000	0.000
36	A	36	LEU	0	-0.005	0.015	7.238	-0.226	-0.226	0.000	0.000	0.000	0.000
37	A	37	THR	0	-0.047	-0.040	8.023	-0.156	-0.156	0.000	0.000	0.000	0.000
38	A	38	PHE	0	-0.042	-0.030	7.363	-0.132	-0.132	0.000	0.000	0.000	0.000
39	A	39	SER	0	-0.015	-0.023	9.357	-0.005	-0.005	0.000	0.000	0.000	0.000
40	A	40	ASP	-1	-0.704	-0.853	12.173	0.038	0.038	0.000	0.000	0.000	0.000
41	A	41	PHE	0	0.019	0.018	15.173	0.023	0.023	0.000	0.000	0.000	0.000
42	A	42	VAL	0	-0.007	-0.004	11.695	0.019	0.019	0.000	0.000	0.000	0.000
43	A	43	GLN	0	-0.020	-0.031	13.283	0.030	0.030	0.000	0.000	0.000	0.000
44	A	44	ASP	-1	-0.891	-0.938	15.483	0.055	0.055	0.000	0.000	0.000	0.000
45	A	45	SER	0	-0.113	-0.075	17.291	-0.006	-0.006	0.000	0.000	0.000	0.000
46	A	46	VAL	0	-0.063	-0.029	14.731	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	47	ILE	0	-0.003	0.011	17.662	0.007	0.007	0.000	0.000	0.000	0.000
48	A	48	ALA	0	-0.036	-0.016	20.144	-0.006	-0.006	0.000	0.000	0.000	0.000
49	A	49	HIS	1	0.845	0.929	20.823	-0.087	-0.087	0.000	0.000	0.000	0.000
50	A	50	PRO	0	0.092	0.053	18.512	0.014	0.014	0.000	0.000	0.000	0.000
51	A	51	GLU	-1	-0.877	-0.959	17.814	0.136	0.136	0.000	0.000	0.000	0.000
52	A	52	TRP	0	0.023	0.011	17.243	0.014	0.014	0.000	0.000	0.000	0.000
53	A	53	LEU	0	0.028	0.008	10.648	0.021	0.021	0.000	0.000	0.000	0.000
54	A	54	THR	0	0.014	0.015	13.326	0.064	0.064	0.000	0.000	0.000	0.000
55	A	55	GLU	-1	-0.921	-0.982	15.791	0.121	0.121	0.000	0.000	0.000	0.000
56	A	56	LEU	0	-0.040	-0.020	11.774	-0.042	-0.042	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.865	-0.932	9.448	0.961	0.961	0.000	0.000	0.000	0.000
58	A	58	SER	0	-0.092	-0.047	12.774	-0.051	-0.051	0.000	0.000	0.000	0.000
59	A	59	GLN	0	-0.050	-0.025	15.485	-0.040	-0.040	0.000	0.000	0.000	0.000
60	A	60	PRO	0	0.003	0.015	11.332	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	61	PRO	0	-0.005	0.019	11.692	-0.044	-0.044	0.000	0.000	0.000	0.000
62	A	62	GLN	0	0.012	0.008	13.117	-0.023	-0.023	0.000	0.000	0.000	0.000
63	A	63	ALA	0	0.013	-0.017	15.396	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	64	ASP	-1	-0.936	-0.972	16.391	-0.045	-0.045	0.000	0.000	0.000	0.000
65	A	65	GLU	-1	-0.738	-0.861	17.684	0.032	0.032	0.000	0.000	0.000	0.000
66	A	66	TRP	0	0.005	-0.011	20.036	0.013	0.013	0.000	0.000	0.000	0.000
67	A	67	GLN	0	-0.061	-0.033	22.194	0.006	0.006	0.000	0.000	0.000	0.000
68	A	68	HIS	0	0.024	0.016	22.536	0.004	0.004	0.000	0.000	0.000	0.000
69	A	69	TYR	0	-0.031	-0.001	18.906	0.000	0.000	0.000	0.000	0.000	0.000
70	A	70	ALA	0	0.046	0.007	25.419	0.004	0.004	0.000	0.000	0.000	0.000
71	A	71	ALA	0	0.013	0.006	28.795	0.002	0.002	0.000	0.000	0.000	0.000
72	A	72	TRP	0	-0.007	-0.009	20.619	0.003	0.003	0.000	0.000	0.000	0.000
73	A	73	LEU	0	-0.021	-0.002	27.859	0.003	0.003	0.000	0.000	0.000	0.000
74	A	74	GLN	0	0.000	-0.018	29.410	0.003	0.003	0.000	0.000	0.000	0.000
75	A	75	GLU	-1	-0.971	-0.962	30.362	0.019	0.019	0.000	0.000	0.000	0.000
76	A	76	ALA	0	-0.007	-0.003	29.249	0.002	0.002	0.000	0.000	0.000	0.000
77	A	77	LEU	0	-0.055	-0.039	31.394	0.000	0.000	0.000	0.000	0.000	0.000
78	A	78	CYS	0	-0.006	0.016	34.381	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	79	ASN	0	-0.045	-0.021	35.360	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	80	VAL	0	-0.016	0.007	34.976	0.001	0.001	0.000	0.000	0.000	0.000
81	A	81	SER	0	-0.028	-0.017	38.141	-0.001	-0.001	0.000	0.000	0.000	0.000
82	A	82	ASP	-1	-0.890	-0.964	40.419	0.009	0.009	0.000	0.000	0.000	0.000
83	A	83	GLU	-1	-0.781	-0.882	39.200	0.002	0.002	0.000	0.000	0.000	0.000
84	A	84	ALA	0	0.006	0.004	37.810	0.000	0.000	0.000	0.000	0.000	0.000
85	A	85	GLY	0	-0.026	-0.013	36.062	0.001	0.001	0.000	0.000	0.000	0.000
86	A	86	LEU	0	0.022	0.025	34.400	0.001	0.001	0.000	0.000	0.000	0.000
87	A	87	MET	0	-0.049	-0.022	33.366	0.000	0.000	0.000	0.000	0.000	0.000
88	A	88	ARG	1	0.970	1.000	31.516	-0.021	-0.021	0.000	0.000	0.000	0.000
89	A	89	GLU	-1	-0.841	-0.926	28.567	0.027	0.027	0.000	0.000	0.000	0.000
90	A	90	LEU	0	0.009	-0.002	28.607	0.000	0.000	0.000	0.000	0.000	0.000
91	A	91	ARG	1	0.722	0.850	27.527	-0.005	-0.005	0.000	0.000	0.000	0.000
92	A	92	LEU	0	-0.046	-0.015	25.018	0.002	0.002	0.000	0.000	0.000	0.000
93	A	93	PHE	0	0.034	0.013	24.062	0.004	0.004	0.000	0.000	0.000	0.000
94	A	94	ARG	1	0.902	0.966	21.285	0.017	0.017	0.000	0.000	0.000	0.000
95	A	95	ARG	1	0.930	0.961	20.606	-0.038	-0.038	0.000	0.000	0.000	0.000
96	A	96	ARG	1	0.932	0.978	19.416	-0.071	-0.071	0.000	0.000	0.000	0.000
97	A	97	ILE	0	0.014	0.000	18.511	0.011	0.011	0.000	0.000	0.000	0.000
98	A	98	MET	0	0.006	0.011	17.454	-0.014	-0.014	0.000	0.000	0.000	0.000
99	A	99	VAL	0	-0.010	0.001	14.239	-0.021	-0.021	0.000	0.000	0.000	0.000
100	A	100	ARG	1	0.818	0.899	13.427	-0.074	-0.074	0.000	0.000	0.000	0.000
101	A	101	ILE	0	0.000	0.007	13.178	-0.024	-0.024	0.000	0.000	0.000	0.000
102	A	102	ALA	0	0.032	0.009	12.120	-0.072	-0.072	0.000	0.000	0.000	0.000
103	A	103	TRP	0	-0.006	0.040	8.291	-0.096	-0.096	0.000	0.000	0.000	0.000
104	A	104	ALA	0	0.019	-0.004	8.235	-0.097	-0.097	0.000	0.000	0.000	0.000
105	A	105	GLN	0	-0.052	-0.060	8.525	-0.208	-0.208	0.000	0.000	0.000	0.000
106	A	106	THR	0	-0.070	-0.066	5.265	-0.195	-0.195	0.000	0.000	0.000	0.000
107	A	107	LEU	0	-0.045	-0.018	3.121	-1.721	-0.726	0.467	-0.246	-1.216	-0.002
108	A	108	ALA	0	-0.059	-0.017	4.289	-0.871	-0.654	-0.001	-0.034	-0.182	0.000
109	A	109	LEU	0	-0.010	0.002	6.208	0.105	0.105	0.000	0.000	0.000	0.000
110	A	110	VAL	0	-0.017	0.003	8.295	0.151	0.151	0.000	0.000	0.000	0.000
111	A	111	THR	0	0.010	-0.001	10.468	-0.086	-0.086	0.000	0.000	0.000	0.000
112	A	112	GLU	-1	-0.730	-0.866	12.252	-0.269	-0.269	0.000	0.000	0.000	0.000
113	A	113	GLU	-1	-0.883	-0.954	13.626	-0.092	-0.092	0.000	0.000	0.000	0.000
114	A	114	SER	0	-0.011	-0.001	15.101	0.031	0.031	0.000	0.000	0.000	0.000
115	A	115	ILE	0	0.021	0.026	12.217	0.025	0.025	0.000	0.000	0.000	0.000
116	A	116	LEU	0	-0.045	-0.021	15.835	0.034	0.034	0.000	0.000	0.000	0.000
117	A	117	GLN	0	0.014	0.029	18.895	0.017	0.017	0.000	0.000	0.000	0.000
118	A	118	GLN	0	-0.033	-0.016	15.743	0.006	0.006	0.000	0.000	0.000	0.000
119	A	119	LEU	0	0.034	0.020	17.499	0.018	0.018	0.000	0.000	0.000	0.000
120	A	120	SER	0	-0.050	-0.037	20.774	0.014	0.014	0.000	0.000	0.000	0.000
121	A	121	TYR	0	0.029	0.017	23.302	0.008	0.008	0.000	0.000	0.000	0.000
122	A	122	LEU	0	0.007	0.017	21.005	0.009	0.009	0.000	0.000	0.000	0.000
123	A	123	ALA	0	0.022	0.007	24.297	0.007	0.007	0.000	0.000	0.000	0.000
124	A	124	GLU	-1	-0.856	-0.926	26.579	-0.028	-0.028	0.000	0.000	0.000	0.000
125	A	125	THR	0	-0.025	-0.022	27.159	0.005	0.005	0.000	0.000	0.000	0.000
126	A	126	LEU	0	-0.016	-0.009	25.473	0.004	0.004	0.000	0.000	0.000	0.000
127	A	127	ILE	0	-0.028	-0.005	29.718	0.003	0.003	0.000	0.000	0.000	0.000
128	A	128	VAL	0	-0.031	-0.007	32.367	0.002	0.002	0.000	0.000	0.000	0.000
129	A	129	ALA	0	0.044	0.033	32.392	0.002	0.002	0.000	0.000	0.000	0.000
130	A	130	ALA	0	-0.013	-0.007	33.767	0.002	0.002	0.000	0.000	0.000	0.000
131	A	131	ARG	1	0.846	0.913	35.428	0.013	0.013	0.000	0.000	0.000	0.000
132	A	132	ASP	-1	-0.854	-0.931	37.534	-0.007	-0.007	0.000	0.000	0.000	0.000
133	A	133	TRP	0	0.028	0.021	37.777	0.000	0.000	0.000	0.000	0.000	0.000
134	A	134	LEU	0	-0.026	-0.027	38.716	0.001	0.001	0.000	0.000	0.000	0.000
135	A	135	TYR	0	-0.020	-0.014	41.500	0.000	0.000	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.839	-0.914	43.077	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	137	ALA	0	-0.090	-0.044	43.742	0.000	0.000	0.000	0.000	0.000	0.000
138	A	138	CYS	0	-0.047	-0.037	44.608	0.000	0.000	0.000	0.000	0.000	0.000
139	A	139	CYS	0	-0.017	0.019	47.333	0.000	0.000	0.000	0.000	0.000	0.000
140	A	140	ARG	1	0.917	0.953	46.641	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	141	GLU	-1	-0.988	-0.967	48.070	0.001	0.001	0.000	0.000	0.000	0.000
142	A	142	TRP	0	-0.034	-0.046	46.979	0.000	0.000	0.000	0.000	0.000	0.000
143	A	143	GLY	0	-0.030	-0.036	52.485	0.000	0.000	0.000	0.000	0.000	0.000
144	A	144	THR	0	-0.025	-0.029	53.513	0.000	0.000	0.000	0.000	0.000	0.000
145	A	145	PRO	0	0.034	-0.019	50.779	0.000	0.000	0.000	0.000	0.000	0.000
146	A	146	CYS	0	-0.017	0.036	49.752	0.000	0.000	0.000	0.000	0.000	0.000
147	A	147	ASN	0	0.005	-0.023	52.203	0.000	0.000	0.000	0.000	0.000	0.000
148	A	148	ALA	0	0.028	0.026	54.515	0.000	0.000	0.000	0.000	0.000	0.000
149	A	149	GLN	0	-0.090	-0.054	56.444	0.000	0.000	0.000	0.000	0.000	0.000
150	A	150	GLY	0	-0.016	-0.011	58.092	0.000	0.000	0.000	0.000	0.000	0.000
151	A	151	GLU	-1	-0.895	-0.924	52.484	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	152	ALA	0	0.066	0.038	50.255	0.000	0.000	0.000	0.000	0.000	0.000
153	A	153	GLN	0	-0.002	-0.001	49.591	0.000	0.000	0.000	0.000	0.000	0.000
154	A	154	PRO	0	0.038	0.027	43.990	0.000	0.000	0.000	0.000	0.000	0.000
155	A	155	LEU	0	0.009	-0.010	41.038	0.000	0.000	0.000	0.000	0.000	0.000
156	A	156	LEU	0	-0.043	-0.024	40.916	-0.001	-0.001	0.000	0.000	0.000	0.000
157	A	157	ILE	0	0.039	0.003	35.999	0.000	0.000	0.000	0.000	0.000	0.000
158	A	158	LEU	0	-0.032	-0.009	36.522	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	159	GLY	0	0.081	0.027	32.352	0.000	0.000	0.000	0.000	0.000	0.000
160	A	160	MET	0	-0.029	-0.019	33.031	0.000	0.000	0.000	0.000	0.000	0.000
161	A	161	GLY	0	0.031	0.000	30.307	-0.003	-0.003	0.000	0.000	0.000	0.000
162	A	162	LYS	1	0.892	0.939	23.305	0.070	0.070	0.000	0.000	0.000	0.000
163	A	163	LEU	0	0.059	0.058	26.205	-0.004	-0.004	0.000	0.000	0.000	0.000
164	A	164	GLY	0	0.035	0.021	27.915	0.000	0.000	0.000	0.000	0.000	0.000
165	A	165	GLY	0	-0.022	-0.018	27.725	0.001	0.001	0.000	0.000	0.000	0.000
166	A	166	GLY	0	-0.040	-0.007	25.511	-0.003	-0.003	0.000	0.000	0.000	0.000
167	A	167	GLU	-1	-0.759	-0.871	21.985	-0.072	-0.072	0.000	0.000	0.000	0.000
168	A	168	LEU	0	0.034	-0.005	22.397	-0.004	-0.004	0.000	0.000	0.000	0.000
169	A	169	ASN	0	-0.058	-0.022	20.636	-0.018	-0.018	0.000	0.000	0.000	0.000
170	A	170	PHE	0	0.033	0.018	14.975	0.003	0.003	0.000	0.000	0.000	0.000
171	A	171	SER	0	0.007	0.015	19.059	0.015	0.015	0.000	0.000	0.000	0.000
172	A	172	SER	0	-0.102	-0.083	21.477	-0.003	-0.003	0.000	0.000	0.000	0.000
173	A	173	ASP	-1	-0.826	-0.881	24.883	-0.029	-0.029	0.000	0.000	0.000	0.000
174	A	174	ILE	0	-0.055	-0.011	27.895	-0.005	-0.005	0.000	0.000	0.000	0.000
175	A	175	ASP	-1	-0.850	-0.930	30.158	-0.031	-0.031	0.000	0.000	0.000	0.000
176	A	176	LEU	0	-0.043	-0.032	32.686	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	177	ILE	0	-0.011	-0.009	35.830	0.001	0.001	0.000	0.000	0.000	0.000
178	A	178	PHE	0	-0.012	0.005	37.494	0.000	0.000	0.000	0.000	0.000	0.000
179	A	179	ALA	0	0.015	-0.011	41.703	0.000	0.000	0.000	0.000	0.000	0.000
180	A	180	TRP	0	-0.027	-0.004	44.547	0.000	0.000	0.000	0.000	0.000	0.000
181	A	181	PRO	0	0.000	0.013	47.223	0.000	0.000	0.000	0.000	0.000	0.000
182	A	182	GLU	-1	-0.865	-0.964	49.575	-0.007	-0.007	0.000	0.000	0.000	0.000
183	A	191	ARG	1	0.923	0.964	55.900	0.003	0.003	0.000	0.000	0.000	0.000
184	A	192	GLU	-1	-0.916	-0.938	55.436	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	193	LEU	0	-0.010	0.017	53.682	0.000	0.000	0.000	0.000	0.000	0.000
186	A	194	ASP	-1	-0.918	-0.973	56.053	-0.005	-0.005	0.000	0.000	0.000	0.000
187	A	195	ASN	0	0.047	0.025	52.445	0.000	0.000	0.000	0.000	0.000	0.000
188	A	196	ALA	0	0.042	0.029	51.268	0.000	0.000	0.000	0.000	0.000	0.000
189	A	197	GLN	0	-0.035	-0.025	50.674	0.000	0.000	0.000	0.000	0.000	0.000
190	A	198	PHE	0	0.017	0.012	47.444	0.000	0.000	0.000	0.000	0.000	0.000
191	A	199	PHE	0	0.070	0.013	45.828	0.000	0.000	0.000	0.000	0.000	0.000
192	A	200	THR	0	-0.052	-0.011	45.723	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	201	ARG	1	0.905	0.965	45.727	0.003	0.003	0.000	0.000	0.000	0.000
194	A	202	MET	0	0.004	0.020	41.776	0.000	0.000	0.000	0.000	0.000	0.000
195	A	203	GLY	0	0.013	0.007	41.814	0.000	0.000	0.000	0.000	0.000	0.000
196	A	204	GLN	0	0.002	-0.008	40.928	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	205	ARG	1	0.850	0.918	40.952	0.000	0.000	0.000	0.000	0.000	0.000
198	A	206	LEU	0	0.029	0.018	36.032	0.001	0.001	0.000	0.000	0.000	0.000
199	A	207	ILE	0	0.002	-0.002	36.519	0.000	0.000	0.000	0.000	0.000	0.000
200	A	208	LYS	1	0.892	0.946	35.876	0.000	0.000	0.000	0.000	0.000	0.000
201	A	209	VAL	0	0.012	-0.010	34.613	0.001	0.001	0.000	0.000	0.000	0.000
202	A	210	LEU	0	-0.007	0.002	31.223	0.001	0.001	0.000	0.000	0.000	0.000
203	A	211	ASP	-1	-0.889	-0.959	31.242	-0.011	-0.011	0.000	0.000	0.000	0.000
204	A	212	GLN	0	-0.011	0.007	32.793	0.000	0.000	0.000	0.000	0.000	0.000
205	A	213	PRO	0	-0.036	-0.013	31.590	0.002	0.002	0.000	0.000	0.000	0.000
206	A	214	THR	0	-0.034	-0.008	31.942	0.002	0.002	0.000	0.000	0.000	0.000
207	A	215	GLN	0	0.041	0.008	31.738	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	216	ASP	-1	-0.914	-0.953	28.907	0.026	0.026	0.000	0.000	0.000	0.000
209	A	217	GLY	0	0.001	0.005	27.568	0.000	0.000	0.000	0.000	0.000	0.000
210	A	218	PHE	0	0.017	-0.012	26.089	0.000	0.000	0.000	0.000	0.000	0.000
211	A	219	VAL	0	-0.029	0.000	27.057	0.001	0.001	0.000	0.000	0.000	0.000
212	A	220	TYR	0	0.036	-0.004	23.805	-0.002	-0.002	0.000	0.000	0.000	0.000
213	A	221	ARG	1	0.938	0.990	28.383	0.022	0.022	0.000	0.000	0.000	0.000
214	A	222	VAL	0	0.033	0.008	30.439	-0.003	-0.003	0.000	0.000	0.000	0.000
215	A	223	ASP	-1	-0.814	-0.890	33.161	-0.022	-0.022	0.000	0.000	0.000	0.000
216	A	224	MET	0	0.017	0.007	34.937	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	225	ARG	1	0.863	0.920	36.169	0.022	0.022	0.000	0.000	0.000	0.000
218	A	226	LEU	0	-0.049	-0.022	34.573	0.001	0.001	0.000	0.000	0.000	0.000
219	A	227	ARG	1	0.806	0.913	39.108	0.014	0.014	0.000	0.000	0.000	0.000
220	A	228	PRO	0	0.037	0.012	41.899	0.000	0.000	0.000	0.000	0.000	0.000
221	A	229	PHE	0	-0.015	-0.015	45.258	0.001	0.001	0.000	0.000	0.000	0.000
222	A	230	GLY	0	0.012	0.019	43.409	0.001	0.001	0.000	0.000	0.000	0.000
223	A	231	GLU	-1	-0.972	-1.001	42.533	-0.014	-0.014	0.000	0.000	0.000	0.000
224	A	232	SER	0	-0.005	-0.009	43.920	0.001	0.001	0.000	0.000	0.000	0.000
225	A	233	GLY	0	-0.011	0.025	47.112	0.001	0.001	0.000	0.000	0.000	0.000
226	A	234	PRO	0	0.009	0.002	47.002	0.000	0.000	0.000	0.000	0.000	0.000
227	A	235	LEU	0	0.014	0.010	41.527	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	236	VAL	0	-0.023	0.002	43.657	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	237	LEU	0	-0.009	-0.006	45.887	0.001	0.001	0.000	0.000	0.000	0.000
230	A	238	SER	0	0.043	0.030	47.737	0.000	0.000	0.000	0.000	0.000	0.000
231	A	239	PHE	0	0.045	0.014	45.372	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	240	ALA	0	0.051	0.043	49.494	0.000	0.000	0.000	0.000	0.000	0.000
233	A	241	ALA	0	0.019	0.011	51.118	0.000	0.000	0.000	0.000	0.000	0.000
234	A	242	LEU	0	-0.040	-0.035	44.002	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	243	GLU	-1	-0.883	-0.974	48.299	-0.012	-0.012	0.000	0.000	0.000	0.000
236	A	244	ASP	-1	-0.929	-0.950	49.819	-0.010	-0.010	0.000	0.000	0.000	0.000
237	A	245	TYR	0	-0.084	-0.059	45.307	0.000	0.000	0.000	0.000	0.000	0.000
238	A	246	TYR	0	-0.009	-0.028	42.325	0.000	0.000	0.000	0.000	0.000	0.000
239	A	247	GLN	0	-0.077	-0.042	47.871	0.000	0.000	0.000	0.000	0.000	0.000
240	A	248	GLU	-1	-0.958	-0.966	50.794	-0.010	-0.010	0.000	0.000	0.000	0.000
241	A	249	GLN	0	-0.063	-0.038	50.091	0.000	0.000	0.000	0.000	0.000	0.000
242	A	250	GLY	0	0.013	0.042	46.621	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	251	ARG	1	0.904	0.947	44.082	0.016	0.016	0.000	0.000	0.000	0.000
244	A	252	ASP	-1	-0.755	-0.878	42.293	-0.018	-0.018	0.000	0.000	0.000	0.000
245	A	253	TRP	0	-0.028	-0.029	36.018	-0.001	-0.001	0.000	0.000	0.000	0.000
246	A	254	GLU	-1	-0.772	-0.863	39.120	-0.018	-0.018	0.000	0.000	0.000	0.000
247	A	255	ARG	1	0.835	0.927	40.023	0.016	0.016	0.000	0.000	0.000	0.000
248	A	256	TYR	0	-0.001	-0.008	31.779	-0.001	-0.001	0.000	0.000	0.000	0.000
249	A	257	ALA	0	0.008	-0.002	35.241	-0.002	-0.002	0.000	0.000	0.000	0.000
250	A	258	MET	0	0.012	0.009	35.314	-0.002	-0.002	0.000	0.000	0.000	0.000
251	A	259	VAL	0	-0.065	-0.016	33.134	0.000	0.000	0.000	0.000	0.000	0.000
252	A	260	LYS	1	0.752	0.849	27.647	0.049	0.049	0.000	0.000	0.000	0.000
253	A	261	ALA	0	0.004	0.024	32.495	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	262	ARG	1	0.769	0.867	28.498	0.041	0.041	0.000	0.000	0.000	0.000
255	A	263	ILE	0	-0.029	-0.005	34.442	0.000	0.000	0.000	0.000	0.000	0.000
256	A	264	MET	0	-0.004	0.008	31.252	-0.002	-0.002	0.000	0.000	0.000	0.000
257	A	265	GLY	0	-0.006	-0.014	33.440	0.003	0.003	0.000	0.000	0.000	0.000
258	A	266	ASP	-1	-0.913	-0.951	34.956	-0.017	-0.017	0.000	0.000	0.000	0.000
259	A	267	SER	0	-0.070	-0.048	36.657	0.000	0.000	0.000	0.000	0.000	0.000
260	A	268	GLU	-1	-0.891	-0.943	38.404	-0.016	-0.016	0.000	0.000	0.000	0.000
261	A	269	GLY	0	0.101	0.047	41.415	0.001	0.001	0.000	0.000	0.000	0.000
262	A	270	VAL	0	-0.003	0.008	44.955	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	271	TYR	0	0.031	0.012	45.816	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	272	ALA	0	0.031	0.001	41.192	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	273	ASN	0	-0.122	-0.092	42.681	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	274	GLU	-1	-0.871	-0.929	44.770	-0.011	-0.011	0.000	0.000	0.000	0.000
267	A	275	LEU	0	0.022	0.017	41.392	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	276	ARG	1	0.890	0.933	38.741	0.018	0.018	0.000	0.000	0.000	0.000
269	A	277	ALA	0	-0.040	-0.009	42.428	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	278	MET	0	0.019	0.030	45.660	0.000	0.000	0.000	0.000	0.000	0.000
271	A	279	LEU	0	0.001	-0.006	39.637	0.000	0.000	0.000	0.000	0.000	0.000
272	A	280	ARG	1	0.887	0.981	41.783	0.018	0.018	0.000	0.000	0.000	0.000
273	A	281	PRO	0	-0.022	-0.024	43.202	0.000	0.000	0.000	0.000	0.000	0.000
274	A	282	PHE	0	0.009	0.029	42.558	0.000	0.000	0.000	0.000	0.000	0.000
275	A	283	VAL	0	-0.012	-0.013	38.435	0.000	0.000	0.000	0.000	0.000	0.000
276	A	284	PHE	0	-0.008	0.001	36.516	0.000	0.000	0.000	0.000	0.000	0.000
277	A	285	ARG	1	0.943	0.983	42.406	0.018	0.018	0.000	0.000	0.000	0.000
278	A	286	ARG	1	0.965	0.965	44.931	0.014	0.014	0.000	0.000	0.000	0.000
279	A	287	TYR	0	-0.035	-0.021	47.199	0.000	0.000	0.000	0.000	0.000	0.000
280	A	288	ILE	0	0.024	0.024	44.527	0.000	0.000	0.000	0.000	0.000	0.000
281	A	289	ASP	-1	-0.776	-0.861	47.799	-0.012	-0.012	0.000	0.000	0.000	0.000
282	A	290	PHE	0	0.023	-0.016	48.360	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	291	SER	0	-0.052	-0.048	48.706	0.000	0.000	0.000	0.000	0.000	0.000
284	A	292	VAL	0	0.024	0.017	44.399	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	293	ILE	0	0.011	0.001	43.471	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	294	GLN	0	-0.024	-0.021	43.987	0.000	0.000	0.000	0.000	0.000	0.000
287	A	295	SER	0	-0.034	-0.036	44.952	0.000	0.000	0.000	0.000	0.000	0.000
288	A	296	LEU	0	0.038	0.011	39.225	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	297	ARG	1	0.905	0.955	40.365	0.013	0.013	0.000	0.000	0.000	0.000
290	A	298	ASN	0	-0.011	0.004	41.829	0.000	0.000	0.000	0.000	0.000	0.000
291	A	299	MET	0	-0.049	-0.012	39.188	0.000	0.000	0.000	0.000	0.000	0.000
292	A	300	LYS	1	0.900	0.974	36.429	0.019	0.019	0.000	0.000	0.000	0.000
293	A	301	GLY	0	-0.001	-0.009	37.807	0.000	0.000	0.000	0.000	0.000	0.000
294	A	302	MET	0	-0.074	-0.039	39.526	0.000	0.000	0.000	0.000	0.000	0.000
295	A	303	ILE	0	0.071	0.050	33.164	0.000	0.000	0.000	0.000	0.000	0.000
296	A	304	ALA	0	0.049	0.016	35.536	-0.001	-0.001	0.000	0.000	0.000	0.000
297	A	305	ARG	1	0.890	0.947	36.709	0.017	0.017	0.000	0.000	0.000	0.000
298	A	306	GLU	-1	-0.868	-0.931	33.737	-0.029	-0.029	0.000	0.000	0.000	0.000
299	A	307	VAL	0	-0.018	-0.003	31.803	0.000	0.000	0.000	0.000	0.000	0.000
300	A	308	ARG	1	0.884	0.916	34.215	0.018	0.018	0.000	0.000	0.000	0.000
301	A	309	ARG	1	0.931	0.983	36.755	0.021	0.021	0.000	0.000	0.000	0.000
302	A	310	ARG	1	0.914	0.953	29.334	0.034	0.034	0.000	0.000	0.000	0.000
303	A	311	GLY	0	0.022	0.033	33.904	0.000	0.000	0.000	0.000	0.000	0.000
304	A	312	LEU	0	-0.014	-0.011	28.186	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	313	THR	0	-0.048	-0.024	27.394	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	314	ASP	-1	-0.810	-0.894	22.886	-0.046	-0.046	0.000	0.000	0.000	0.000
307	A	315	ASN	0	-0.054	-0.029	23.042	-0.010	-0.010	0.000	0.000	0.000	0.000
308	A	316	ILE	0	0.113	0.047	18.360	0.007	0.007	0.000	0.000	0.000	0.000
309	A	317	LYS	1	0.978	1.006	22.659	0.052	0.052	0.000	0.000	0.000	0.000
310	A	318	LEU	0	-0.066	-0.053	25.082	0.004	0.004	0.000	0.000	0.000	0.000
311	A	319	GLY	0	0.007	0.009	26.778	0.005	0.005	0.000	0.000	0.000	0.000
312	A	320	ALA	0	-0.034	-0.027	27.869	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	321	GLY	0	0.027	0.004	26.183	0.000	0.000	0.000	0.000	0.000	0.000
314	A	322	GLY	0	0.038	0.025	24.003	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	323	ILE	0	0.017	0.000	20.493	0.004	0.004	0.000	0.000	0.000	0.000
316	A	324	ARG	1	0.852	0.942	24.323	0.038	0.038	0.000	0.000	0.000	0.000
317	A	325	GLU	-1	-0.831	-0.932	27.769	-0.027	-0.027	0.000	0.000	0.000	0.000
318	A	326	ILE	0	0.028	0.024	22.965	0.003	0.003	0.000	0.000	0.000	0.000
319	A	327	GLU	-1	-0.861	-0.940	26.321	-0.054	-0.054	0.000	0.000	0.000	0.000
320	A	328	PHE	0	-0.038	-0.018	28.591	0.004	0.004	0.000	0.000	0.000	0.000
321	A	329	ILE	0	-0.011	-0.011	29.009	0.002	0.002	0.000	0.000	0.000	0.000
322	A	330	VAL	0	0.018	0.014	27.577	0.002	0.002	0.000	0.000	0.000	0.000
323	A	331	GLN	0	0.033	0.003	30.944	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	332	VAL	0	-0.029	-0.004	33.490	0.003	0.003	0.000	0.000	0.000	0.000
325	A	333	PHE	0	0.021	0.001	33.057	0.002	0.002	0.000	0.000	0.000	0.000
326	A	334	GLN	0	-0.026	-0.024	32.334	0.000	0.000	0.000	0.000	0.000	0.000
327	A	335	LEU	0	-0.009	-0.010	36.286	0.002	0.002	0.000	0.000	0.000	0.000
328	A	336	ILE	0	-0.092	-0.029	39.130	0.002	0.002	0.000	0.000	0.000	0.000
329	A	337	ARG	1	0.953	0.954	38.710	0.019	0.019	0.000	0.000	0.000	0.000
330	A	338	GLY	0	0.098	0.065	38.673	0.000	0.000	0.000	0.000	0.000	0.000
331	A	339	GLY	0	-0.023	0.001	39.358	0.000	0.000	0.000	0.000	0.000	0.000
332	A	340	ARG	1	0.740	0.839	42.552	0.015	0.015	0.000	0.000	0.000	0.000
333	A	341	GLU	-1	-0.831	-0.898	38.369	-0.019	-0.019	0.000	0.000	0.000	0.000
334	A	342	PRO	0	-0.010	-0.014	38.412	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	343	SER	0	0.051	0.032	34.007	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	344	LEU	0	0.000	0.010	33.459	-0.002	-0.002	0.000	0.000	0.000	0.000
337	A	345	GLN	0	-0.032	-0.047	35.025	0.000	0.000	0.000	0.000	0.000	0.000
338	A	346	SER	0	-0.004	0.013	29.424	0.000	0.000	0.000	0.000	0.000	0.000
339	A	347	ARG	1	0.994	1.005	30.857	0.032	0.032	0.000	0.000	0.000	0.000
340	A	348	SER	0	0.012	0.023	25.798	0.000	0.000	0.000	0.000	0.000	0.000
341	A	349	LEU	0	-0.014	-0.002	23.757	0.003	0.003	0.000	0.000	0.000	0.000
342	A	350	LEU	0	0.020	0.002	19.976	0.005	0.005	0.000	0.000	0.000	0.000
343	A	351	PRO	0	0.021	0.014	24.397	0.003	0.003	0.000	0.000	0.000	0.000
344	A	352	THR	0	-0.014	-0.008	27.028	0.006	0.006	0.000	0.000	0.000	0.000
345	A	353	LEU	0	-0.015	-0.017	24.152	0.003	0.003	0.000	0.000	0.000	0.000
346	A	354	SER	0	-0.020	-0.004	25.642	0.002	0.002	0.000	0.000	0.000	0.000
347	A	355	ALA	0	0.048	0.031	27.823	0.003	0.003	0.000	0.000	0.000	0.000
348	A	356	ILE	0	-0.052	-0.039	30.451	0.003	0.003	0.000	0.000	0.000	0.000
349	A	357	ALA	0	-0.004	-0.001	28.844	0.002	0.002	0.000	0.000	0.000	0.000
350	A	358	GLU	-1	-0.918	-0.958	30.814	-0.029	-0.029	0.000	0.000	0.000	0.000
351	A	359	LEU	0	-0.081	-0.033	33.055	0.002	0.002	0.000	0.000	0.000	0.000
352	A	360	HIS	0	-0.086	-0.036	34.548	0.003	0.003	0.000	0.000	0.000	0.000
353	A	361	LEU	0	-0.056	-0.022	34.812	0.001	0.001	0.000	0.000	0.000	0.000
354	A	362	LEU	0	-0.051	-0.019	30.023	0.000	0.000	0.000	0.000	0.000	0.000
355	A	363	SER	0	0.035	0.020	31.861	0.000	0.000	0.000	0.000	0.000	0.000
356	A	364	GLU	-1	-0.853	-0.944	28.630	-0.024	-0.024	0.000	0.000	0.000	0.000
357	A	365	ASN	0	0.019	0.007	27.213	0.000	0.000	0.000	0.000	0.000	0.000
358	A	366	ASP	-1	-0.860	-0.938	26.536	-0.020	-0.020	0.000	0.000	0.000	0.000
359	A	367	ALA	0	-0.004	-0.001	26.832	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	368	GLU	-1	-0.946	-0.975	22.983	-0.025	-0.025	0.000	0.000	0.000	0.000
361	A	369	GLN	0	0.021	-0.001	21.997	-0.005	-0.005	0.000	0.000	0.000	0.000
362	A	370	LEU	0	-0.006	-0.004	22.331	-0.004	-0.004	0.000	0.000	0.000	0.000
363	A	371	ARG	1	0.901	0.951	18.328	0.081	0.081	0.000	0.000	0.000	0.000
364	A	372	VAL	0	-0.005	-0.003	16.679	-0.014	-0.014	0.000	0.000	0.000	0.000
365	A	373	ALA	0	-0.002	-0.007	17.526	-0.009	-0.009	0.000	0.000	0.000	0.000
366	A	374	TYR	0	0.021	0.001	19.100	-0.009	-0.009	0.000	0.000	0.000	0.000
367	A	375	LEU	0	0.005	-0.010	15.345	-0.010	-0.010	0.000	0.000	0.000	0.000
368	A	376	PHE	0	0.005	0.015	13.285	-0.037	-0.037	0.000	0.000	0.000	0.000
369	A	377	LEU	0	-0.019	-0.025	15.039	-0.020	-0.020	0.000	0.000	0.000	0.000
370	A	378	ARG	1	0.787	0.890	17.175	0.102	0.102	0.000	0.000	0.000	0.000
371	A	379	ARG	1	0.895	0.951	5.955	0.726	0.726	0.000	0.000	0.000	0.000
372	A	380	LEU	0	0.025	0.006	13.152	-0.033	-0.033	0.000	0.000	0.000	0.000
373	A	381	GLU	-1	-0.913	-0.981	14.272	-0.099	-0.099	0.000	0.000	0.000	0.000
374	A	382	ASN	0	0.004	-0.007	15.288	0.030	0.030	0.000	0.000	0.000	0.000
375	A	383	LEU	0	0.017	0.021	9.203	0.011	0.011	0.000	0.000	0.000	0.000
376	A	384	LEU	0	-0.042	-0.004	13.001	0.014	0.014	0.000	0.000	0.000	0.000
377	A	385	GLN	0	-0.036	-0.016	15.403	0.018	0.018	0.000	0.000	0.000	0.000
378	A	386	SER	0	-0.018	-0.014	12.732	0.010	0.010	0.000	0.000	0.000	0.000
379	A	387	ILE	0	-0.022	0.010	12.641	0.019	0.019	0.000	0.000	0.000	0.000
380	A	388	ASN	0	-0.019	-0.033	14.499	0.018	0.018	0.000	0.000	0.000	0.000
381	A	389	ASP	-1	-0.875	-0.934	17.487	-0.030	-0.030	0.000	0.000	0.000	0.000
382	A	390	GLU	-1	-0.948	-0.959	19.271	-0.034	-0.034	0.000	0.000	0.000	0.000
383	A	391	GLN	0	-0.036	-0.053	20.914	-0.013	-0.013	0.000	0.000	0.000	0.000
384	A	392	THR	0	-0.042	-0.012	20.191	0.007	0.007	0.000	0.000	0.000	0.000
385	A	393	GLN	0	0.053	-0.001	21.546	-0.005	-0.005	0.000	0.000	0.000	0.000
386	A	394	THR	0	-0.074	-0.041	22.686	0.002	0.002	0.000	0.000	0.000	0.000
387	A	395	LEU	0	0.012	0.013	17.639	-0.008	-0.008	0.000	0.000	0.000	0.000
388	A	396	PRO	0	0.040	0.038	16.598	0.012	0.012	0.000	0.000	0.000	0.000
389	A	397	SER	0	-0.010	-0.018	19.866	0.000	0.000	0.000	0.000	0.000	0.000
390	A	398	ASP	-1	-0.846	-0.927	18.830	-0.077	-0.077	0.000	0.000	0.000	0.000
391	A	399	GLU	-1	-0.901	-0.969	16.896	-0.091	-0.091	0.000	0.000	0.000	0.000
392	A	400	LEU	0	0.000	0.006	13.787	-0.019	-0.019	0.000	0.000	0.000	0.000
393	A	401	ASN	0	0.079	0.021	14.002	-0.049	-0.049	0.000	0.000	0.000	0.000
394	A	402	ARG	1	0.891	0.955	13.915	0.032	0.032	0.000	0.000	0.000	0.000
395	A	403	ALA	0	-0.013	-0.004	12.252	-0.017	-0.017	0.000	0.000	0.000	0.000
396	A	404	ARG	1	0.761	0.885	9.925	0.032	0.032	0.000	0.000	0.000	0.000
397	A	405	LEU	0	0.013	0.006	8.954	-0.135	-0.135	0.000	0.000	0.000	0.000
398	A	406	ALA	0	-0.034	-0.017	9.509	-0.030	-0.030	0.000	0.000	0.000	0.000
399	A	407	TRP	0	-0.049	-0.031	2.408	-1.054	0.069	1.235	-0.556	-1.802	-0.002
400	A	408	ALA	0	0.061	0.032	4.948	0.006	0.074	-0.001	-0.004	-0.064	0.000
401	A	409	MET	0	-0.095	-0.027	6.217	-0.105	-0.105	0.000	0.000	0.000	0.000
402	A	410	ASP	-1	-0.814	-0.884	3.762	-0.254	0.084	0.001	-0.083	-0.255	0.000
403	A	411	PHE	0	-0.040	-0.004	5.794	0.247	0.247	0.000	0.000	0.000	0.000
404	A	412	ALA	0	-0.044	-0.019	7.986	0.054	0.054	0.000	0.000	0.000	0.000
405	A	413	ASP	-1	-0.845	-0.946	10.546	-0.059	-0.059	0.000	0.000	0.000	0.000
406	A	414	TRP	0	0.080	0.032	12.960	0.011	0.011	0.000	0.000	0.000	0.000
407	A	415	PRO	0	-0.004	-0.015	15.176	0.003	0.003	0.000	0.000	0.000	0.000
408	A	416	GLN	0	0.032	0.031	13.016	0.006	0.006	0.000	0.000	0.000	0.000
409	A	417	LEU	0	-0.008	0.018	12.088	0.013	0.013	0.000	0.000	0.000	0.000
410	A	418	THR	0	0.009	-0.009	14.689	-0.002	-0.002	0.000	0.000	0.000	0.000
411	A	419	GLY	0	0.033	0.048	18.227	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	420	ALA	0	0.021	0.005	15.349	0.000	0.000	0.000	0.000	0.000	0.000
413	A	421	LEU	0	0.015	0.024	17.307	-0.007	-0.007	0.000	0.000	0.000	0.000
414	A	422	THR	0	-0.018	-0.039	18.469	-0.003	-0.003	0.000	0.000	0.000	0.000
415	A	423	ALA	0	-0.014	0.004	20.354	0.000	0.000	0.000	0.000	0.000	0.000
416	A	424	HIS	0	-0.021	-0.012	16.339	-0.006	-0.006	0.000	0.000	0.000	0.000
417	A	425	MET	0	-0.018	0.000	21.189	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	426	THR	0	-0.048	-0.033	23.788	0.001	0.001	0.000	0.000	0.000	0.000
419	A	427	ASN	0	0.013	0.001	23.048	0.003	0.003	0.000	0.000	0.000	0.000
420	A	428	VAL	0	0.000	0.023	23.874	0.001	0.001	0.000	0.000	0.000	0.000
421	A	429	ARG	1	0.830	0.910	26.688	0.027	0.027	0.000	0.000	0.000	0.000
422	A	430	ARG	1	0.841	0.929	27.721	0.017	0.017	0.000	0.000	0.000	0.000
423	A	431	VAL	0	0.082	0.048	28.636	0.001	0.001	0.000	0.000	0.000	0.000
424	A	432	PHE	0	-0.025	-0.012	30.803	0.001	0.001	0.000	0.000	0.000	0.000
425	A	433	ASN	0	-0.072	-0.063	32.477	0.001	0.001	0.000	0.000	0.000	0.000
426	A	434	GLU	-1	-0.897	-0.945	34.636	-0.014	-0.014	0.000	0.000	0.000	0.000
427	A	435	LEU	0	-0.020	0.014	33.907	0.001	0.001	0.000	0.000	0.000	0.000
428	A	436	ILE	0	-0.043	-0.033	36.423	0.001	0.001	0.000	0.000	0.000	0.000
429	A	437	GLY	0	0.012	0.021	39.995	0.001	0.001	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

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