FMO DATABASE

FMODB ID: 6Y97Z

Calculation Name: 4AEF-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4AEF

Chain ID: A

ChEMBL ID:

UniProt ID: Q8TZP8

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	636
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16576633.844029
FMO2-HF: Nuclear repulsion	16317073.902274
FMO2-HF: Total energy	-259559.941755
FMO2-MP2: Total energy	-260330.489426

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.
-5.507	-28.404	65.977	-25.568	-17.508	-0.085

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 : 0.030 / q_NPA : 0.008

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	LYS	1	0.942	0.975	2.687	-2.778	2.297	0.340	-2.165	-3.250	0.013
4	A	4	LEU	0	0.018	0.013	4.783	-0.287	-0.208	-0.001	-0.011	-0.066	0.000
5	A	5	VAL	0	-0.044	-0.018	6.532	0.272	0.272	0.000	0.000	0.000	0.000
6	A	6	SER	0	-0.051	-0.025	8.762	0.157	0.157	0.000	0.000	0.000	0.000
7	A	7	PHE	0	0.053	0.011	12.504	-0.070	-0.070	0.000	0.000	0.000	0.000
8	A	8	ARG	1	0.876	0.949	15.794	0.487	0.487	0.000	0.000	0.000	0.000
9	A	9	ASP	-1	-0.840	-0.923	18.724	-0.176	-0.176	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.048	-0.041	21.570	-0.030	-0.030	0.000	0.000	0.000	0.000
11	A	11	GLU	-1	-0.885	-0.937	23.535	-0.185	-0.185	0.000	0.000	0.000	0.000
12	A	12	ILE	0	-0.012	-0.002	24.685	0.014	0.014	0.000	0.000	0.000	0.000
13	A	13	PHE	0	0.021	-0.017	21.641	0.007	0.007	0.000	0.000	0.000	0.000
14	A	14	GLY	0	0.040	0.054	23.089	0.005	0.005	0.000	0.000	0.000	0.000
15	A	15	ARG	1	0.811	0.863	19.279	0.157	0.157	0.000	0.000	0.000	0.000
16	A	16	VAL	0	-0.058	-0.020	17.097	-0.008	-0.008	0.000	0.000	0.000	0.000
17	A	17	ALA	0	0.039	0.012	12.404	0.036	0.036	0.000	0.000	0.000	0.000
18	A	18	GLU	-1	-0.898	-0.936	11.937	-0.762	-0.762	0.000	0.000	0.000	0.000
19	A	19	VAL	0	-0.010	-0.022	7.132	0.042	0.042	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.946	-0.978	4.413	-2.391	-2.084	0.000	-0.028	-0.278	0.000
21	A	21	PHE	0	0.023	0.016	4.772	-0.990	-0.814	-0.001	-0.082	-0.093	0.000
22	A	22	SER	0	-0.034	-0.038	2.756	0.025	2.534	0.226	-1.171	-1.564	-0.002
23	A	23	LEU	0	0.073	0.054	1.767	-5.114	-11.950	13.983	-4.699	-2.448	-0.029
24	A	24	ILE	0	0.000	-0.009	4.065	0.327	0.478	0.000	-0.062	-0.089	0.000
25	A	25	ARG	1	0.906	0.990	7.517	0.402	0.402	0.000	0.000	0.000	0.000
26	A	26	GLU	-1	-0.997	-0.999	10.180	0.026	0.026	0.000	0.000	0.000	0.000
27	A	27	GLY	0	0.056	0.035	12.725	0.011	0.011	0.000	0.000	0.000	0.000
28	A	28	SER	0	-0.114	-0.066	14.938	0.022	0.022	0.000	0.000	0.000	0.000
29	A	29	TYR	0	-0.059	-0.033	15.156	0.014	0.014	0.000	0.000	0.000	0.000
30	A	30	ALA	0	0.043	0.028	10.224	0.015	0.015	0.000	0.000	0.000	0.000
31	A	31	TYR	0	-0.096	-0.081	11.734	0.034	0.034	0.000	0.000	0.000	0.000
32	A	32	LEU	0	0.021	0.026	7.263	-0.080	-0.080	0.000	0.000	0.000	0.000
33	A	33	LEU	0	-0.083	-0.039	9.563	0.265	0.265	0.000	0.000	0.000	0.000
34	A	34	GLY	0	0.119	0.039	10.137	-0.185	-0.185	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.796	-0.870	12.445	-0.491	-0.491	0.000	0.000	0.000	0.000
36	A	36	PHE	0	0.003	0.002	10.302	0.077	0.077	0.000	0.000	0.000	0.000
37	A	37	ASN	0	-0.039	-0.030	14.161	0.056	0.056	0.000	0.000	0.000	0.000
38	A	38	ALA	0	0.002	0.006	17.257	0.022	0.022	0.000	0.000	0.000	0.000
39	A	39	PHE	0	-0.036	-0.021	11.827	0.029	0.029	0.000	0.000	0.000	0.000
40	A	40	ASN	0	-0.045	-0.018	15.354	0.076	0.076	0.000	0.000	0.000	0.000
41	A	41	GLU	-1	-0.787	-0.887	15.621	-0.570	-0.570	0.000	0.000	0.000	0.000
42	A	42	GLY	0	-0.003	-0.016	16.761	0.049	0.049	0.000	0.000	0.000	0.000
43	A	43	SER	0	-0.010	0.011	16.863	-0.028	-0.028	0.000	0.000	0.000	0.000
44	A	44	PHE	0	0.028	-0.007	12.930	0.018	0.018	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.847	0.928	12.991	0.505	0.505	0.000	0.000	0.000	0.000
46	A	46	MET	0	-0.067	-0.005	5.785	0.023	0.023	0.000	0.000	0.000	0.000
47	A	47	GLU	-1	-0.831	-0.914	11.422	-0.554	-0.554	0.000	0.000	0.000	0.000
48	A	48	GLN	0	-0.072	-0.061	11.321	-0.197	-0.197	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.850	-0.883	8.696	-0.901	-0.901	0.000	0.000	0.000	0.000
50	A	50	GLY	0	0.055	-0.002	10.449	0.115	0.115	0.000	0.000	0.000	0.000
51	A	51	LYS	1	0.910	0.966	10.215	0.024	0.024	0.000	0.000	0.000	0.000
52	A	52	ASN	0	0.018	-0.047	6.261	-0.110	-0.110	0.000	0.000	0.000	0.000
53	A	53	TRP	0	-0.008	0.036	7.566	0.097	0.097	0.000	0.000	0.000	0.000
54	A	54	LYS	1	0.887	0.918	4.930	0.928	0.928	0.000	0.000	0.000	0.000
55	A	55	ILE	0	0.002	0.006	7.923	0.480	0.480	0.000	0.000	0.000	0.000
56	A	56	LYS	1	0.915	0.976	8.683	0.408	0.408	0.000	0.000	0.000	0.000
57	A	57	ILE	0	0.006	0.007	10.606	0.201	0.201	0.000	0.000	0.000	0.000
58	A	58	ALA	0	-0.004	0.005	12.309	-0.014	-0.014	0.000	0.000	0.000	0.000
59	A	59	LEU	0	0.003	-0.015	11.848	0.015	0.015	0.000	0.000	0.000	0.000
60	A	60	PRO	0	-0.006	0.009	15.145	0.050	0.050	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.707	-0.830	15.810	-0.234	-0.234	0.000	0.000	0.000	0.000
62	A	62	GLY	0	-0.014	-0.017	15.637	0.029	0.029	0.000	0.000	0.000	0.000
63	A	63	VAL	0	-0.048	-0.026	13.109	-0.047	-0.047	0.000	0.000	0.000	0.000
64	A	64	TRP	0	-0.027	-0.009	11.644	0.006	0.006	0.000	0.000	0.000	0.000
65	A	65	HIS	0	-0.026	-0.033	11.253	0.033	0.033	0.000	0.000	0.000	0.000
66	A	66	TYR	0	-0.069	-0.066	3.085	-1.024	0.668	0.011	-1.025	-0.678	0.004
67	A	67	ALA	0	-0.004	0.004	7.455	0.172	0.172	0.000	0.000	0.000	0.000
68	A	68	PHE	0	0.039	0.005	3.126	-0.454	-0.090	0.024	-0.094	-0.295	0.000
69	A	69	SER	0	-0.043	-0.027	8.705	0.263	0.263	0.000	0.000	0.000	0.000
70	A	70	ILE	0	0.024	-0.001	8.894	-0.127	-0.127	0.000	0.000	0.000	0.000
71	A	71	ASP	-1	-0.842	-0.935	12.785	-0.306	-0.306	0.000	0.000	0.000	0.000
72	A	72	GLY	0	-0.023	0.001	15.738	0.058	0.058	0.000	0.000	0.000	0.000
73	A	73	LYN	0	-0.056	-0.022	14.892	0.040	0.040	0.000	0.000	0.000	0.000
74	A	74	PHE	0	-0.044	-0.031	12.419	-0.082	-0.082	0.000	0.000	0.000	0.000
75	A	75	VAL	0	0.016	0.002	8.458	0.104	0.104	0.000	0.000	0.000	0.000
76	A	76	LEU	0	-0.009	-0.008	7.895	-0.238	-0.238	0.000	0.000	0.000	0.000
77	A	77	ASP	-1	-0.755	-0.865	1.585	6.697	-23.862	49.287	-13.542	-5.185	-0.058
78	A	78	PRO	0	-0.054	-0.020	4.264	0.296	0.474	-0.001	-0.033	-0.144	0.000
79	A	79	ASP	-1	-0.864	-0.930	2.374	0.265	3.837	2.105	-2.578	-3.099	-0.013
80	A	80	ASN	0	-0.078	-0.039	3.510	-0.846	-0.482	0.005	-0.075	-0.293	0.000
81	A	81	PRO	0	0.014	-0.006	4.891	-0.446	-0.415	-0.001	-0.003	-0.026	0.000
82	A	82	GLU	-1	-0.874	-0.932	7.835	-0.041	-0.041	0.000	0.000	0.000	0.000
83	A	83	ARG	1	0.855	0.949	6.862	-0.679	-0.679	0.000	0.000	0.000	0.000
84	A	84	ARG	1	0.855	0.885	11.315	0.161	0.161	0.000	0.000	0.000	0.000
85	A	85	VAL	0	-0.005	0.012	14.266	-0.054	-0.054	0.000	0.000	0.000	0.000
86	A	86	TYR	0	-0.038	0.007	15.390	0.021	0.021	0.000	0.000	0.000	0.000
87	A	87	THR	0	-0.042	-0.037	17.260	0.002	0.002	0.000	0.000	0.000	0.000
88	A	88	ARG	1	0.873	0.928	20.252	0.242	0.242	0.000	0.000	0.000	0.000
89	A	89	LYS	1	0.907	0.956	22.552	0.108	0.108	0.000	0.000	0.000	0.000
90	A	90	GLY	0	-0.030	-0.018	25.700	0.003	0.003	0.000	0.000	0.000	0.000
91	A	91	TYR	0	-0.027	-0.043	18.643	-0.005	-0.005	0.000	0.000	0.000	0.000
92	A	92	LYS	1	0.845	0.919	23.397	0.132	0.132	0.000	0.000	0.000	0.000
93	A	93	PHE	0	0.025	0.037	14.940	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	94	HIS	0	0.024	-0.015	20.152	0.005	0.005	0.000	0.000	0.000	0.000
95	A	95	ARG	1	0.904	0.974	15.351	0.322	0.322	0.000	0.000	0.000	0.000
96	A	96	GLU	-1	-0.919	-0.953	12.531	-0.015	-0.015	0.000	0.000	0.000	0.000
97	A	97	VAL	0	-0.055	-0.024	11.007	-0.050	-0.050	0.000	0.000	0.000	0.000
98	A	98	ASN	0	0.025	0.022	6.455	-0.111	-0.111	0.000	0.000	0.000	0.000
99	A	99	VAL	0	0.030	0.018	8.557	-0.108	-0.108	0.000	0.000	0.000	0.000
100	A	100	ALA	0	0.013	0.006	7.696	-0.046	-0.046	0.000	0.000	0.000	0.000
101	A	101	ARG	1	0.843	0.918	8.793	0.070	0.070	0.000	0.000	0.000	0.000
102	A	102	ILE	0	-0.022	-0.001	9.238	0.017	0.017	0.000	0.000	0.000	0.000
103	A	103	VAL	0	0.021	-0.008	12.367	0.022	0.022	0.000	0.000	0.000	0.000
104	A	104	LYS	1	0.840	0.917	14.284	0.094	0.094	0.000	0.000	0.000	0.000
105	A	105	SER	0	-0.005	-0.018	15.571	-0.004	-0.004	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.882	-0.913	17.130	-0.018	-0.018	0.000	0.000	0.000	0.000
107	A	107	ASP	-1	-0.881	-0.942	19.764	-0.092	-0.092	0.000	0.000	0.000	0.000
108	A	108	LEU	0	0.032	0.015	21.485	0.019	0.019	0.000	0.000	0.000	0.000
109	A	109	VAL	0	0.007	-0.006	24.745	-0.007	-0.007	0.000	0.000	0.000	0.000
110	A	110	PHE	0	-0.037	-0.014	23.840	0.000	0.000	0.000	0.000	0.000	0.000
111	A	111	HIS	0	0.029	0.005	25.999	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	112	THR	0	0.006	0.013	26.235	0.008	0.008	0.000	0.000	0.000	0.000
113	A	113	PRO	0	-0.025	-0.001	28.443	-0.010	-0.010	0.000	0.000	0.000	0.000
114	A	114	SER	0	0.003	-0.012	27.533	-0.012	-0.012	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.038	-0.016	28.687	0.009	0.009	0.000	0.000	0.000	0.000
116	A	116	LEU	0	0.011	-0.014	24.982	0.010	0.010	0.000	0.000	0.000	0.000
117	A	117	TYR	0	-0.045	-0.012	23.453	0.013	0.013	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.018	0.023	29.938	0.014	0.014	0.000	0.000	0.000	0.000
119	A	119	TYR	0	-0.002	0.020	32.500	-0.005	-0.005	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.908	-0.973	35.052	-0.080	-0.080	0.000	0.000	0.000	0.000
121	A	121	ILE	0	-0.021	-0.017	37.015	-0.007	-0.007	0.000	0.000	0.000	0.000
122	A	122	PHE	0	-0.015	-0.005	39.820	0.005	0.005	0.000	0.000	0.000	0.000
123	A	123	GLY	0	0.061	0.036	43.261	0.004	0.004	0.000	0.000	0.000	0.000
124	A	124	ARG	1	0.856	0.919	41.931	0.074	0.074	0.000	0.000	0.000	0.000
125	A	125	VAL	0	0.080	0.065	37.930	-0.007	-0.007	0.000	0.000	0.000	0.000
126	A	126	HIS	0	-0.046	-0.012	35.244	0.004	0.004	0.000	0.000	0.000	0.000
127	A	127	VAL	0	0.012	0.009	34.046	-0.006	-0.006	0.000	0.000	0.000	0.000
128	A	128	LEU	0	-0.022	-0.014	27.402	0.004	0.004	0.000	0.000	0.000	0.000
129	A	129	LEU	0	-0.004	0.006	29.163	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	130	ARG	1	0.850	0.940	20.463	0.168	0.168	0.000	0.000	0.000	0.000
131	A	131	THR	0	0.032	0.003	26.044	0.007	0.007	0.000	0.000	0.000	0.000
132	A	132	GLN	0	0.029	0.014	21.889	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	133	LYS	1	0.889	0.935	23.185	0.072	0.072	0.000	0.000	0.000	0.000
134	A	134	GLY	0	-0.056	-0.035	25.040	0.013	0.013	0.000	0.000	0.000	0.000
135	A	135	VAL	0	0.014	0.024	25.746	0.008	0.008	0.000	0.000	0.000	0.000
136	A	136	ILE	0	-0.032	-0.021	28.764	0.005	0.005	0.000	0.000	0.000	0.000
137	A	137	LYS	1	0.916	0.949	31.323	0.002	0.002	0.000	0.000	0.000	0.000
138	A	138	GLY	0	-0.032	-0.029	34.766	-0.004	-0.004	0.000	0.000	0.000	0.000
139	A	139	ALA	0	0.025	0.015	34.039	0.002	0.002	0.000	0.000	0.000	0.000
140	A	140	THR	0	-0.010	-0.004	36.187	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	141	PHE	0	0.017	0.006	36.860	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	142	LEU	0	-0.011	-0.011	38.855	0.003	0.003	0.000	0.000	0.000	0.000
143	A	143	GLY	0	0.041	0.015	40.806	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	144	GLU	-1	-0.955	-0.981	42.400	-0.037	-0.037	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.927	0.971	45.045	0.044	0.044	0.000	0.000	0.000	0.000
146	A	146	HIS	0	0.037	0.021	43.582	-0.005	-0.005	0.000	0.000	0.000	0.000
147	A	147	VAL	0	-0.037	-0.020	41.621	0.001	0.001	0.000	0.000	0.000	0.000
148	A	148	PRO	0	-0.011	0.000	40.689	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	149	MET	0	-0.017	0.008	33.628	-0.003	-0.003	0.000	0.000	0.000	0.000
150	A	150	ARG	1	0.941	0.964	36.230	0.075	0.075	0.000	0.000	0.000	0.000
151	A	151	LYS	1	0.882	0.955	29.728	0.053	0.053	0.000	0.000	0.000	0.000
152	A	152	LYS	1	0.801	0.913	30.375	0.120	0.120	0.000	0.000	0.000	0.000
153	A	153	ALA	0	0.017	0.000	28.367	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	154	SER	0	-0.051	-0.053	26.245	0.008	0.008	0.000	0.000	0.000	0.000
155	A	155	ASP	-1	-0.781	-0.795	20.949	-0.210	-0.210	0.000	0.000	0.000	0.000
156	A	156	GLU	-1	-0.844	-0.921	16.321	-0.116	-0.116	0.000	0.000	0.000	0.000
157	A	157	LEU	0	-0.022	-0.007	15.477	0.025	0.025	0.000	0.000	0.000	0.000
158	A	158	PHE	0	-0.001	0.001	18.849	0.015	0.015	0.000	0.000	0.000	0.000
159	A	159	ASP	-1	-0.764	-0.829	23.267	-0.054	-0.054	0.000	0.000	0.000	0.000
160	A	160	TYR	0	-0.068	-0.096	22.446	-0.008	-0.008	0.000	0.000	0.000	0.000
161	A	161	PHE	0	0.020	0.003	28.781	0.006	0.006	0.000	0.000	0.000	0.000
162	A	162	GLU	-1	-0.887	-0.957	32.131	-0.103	-0.103	0.000	0.000	0.000	0.000
163	A	163	VAL	0	0.019	0.007	34.460	0.008	0.008	0.000	0.000	0.000	0.000
164	A	164	ILE	0	-0.030	-0.003	37.608	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	165	VAL	0	0.004	-0.010	40.208	0.006	0.006	0.000	0.000	0.000	0.000
166	A	166	GLU	-1	-0.977	-0.997	42.459	-0.056	-0.056	0.000	0.000	0.000	0.000
167	A	167	GLY	0	0.074	0.005	43.236	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	168	GLY	0	-0.054	0.016	43.895	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	169	ASP	-1	-0.900	-0.949	44.466	-0.056	-0.056	0.000	0.000	0.000	0.000
170	A	170	LYS	1	0.927	0.928	43.179	0.060	0.060	0.000	0.000	0.000	0.000
171	A	171	ARG	1	0.885	0.936	40.218	0.063	0.063	0.000	0.000	0.000	0.000
172	A	172	LEU	0	0.081	0.048	39.085	0.004	0.004	0.000	0.000	0.000	0.000
173	A	173	ASN	0	0.012	0.006	39.535	-0.004	-0.004	0.000	0.000	0.000	0.000
174	A	174	TYR	0	-0.001	-0.025	33.392	0.000	0.000	0.000	0.000	0.000	0.000
175	A	175	SER	0	0.033	0.047	35.969	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	176	PHE	0	0.011	0.004	32.896	-0.003	-0.003	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.908	-0.938	36.052	-0.012	-0.012	0.000	0.000	0.000	0.000
178	A	178	VAL	0	-0.002	-0.005	31.719	-0.004	-0.004	0.000	0.000	0.000	0.000
179	A	179	LEU	0	-0.012	0.001	35.040	0.006	0.006	0.000	0.000	0.000	0.000
180	A	180	THR	0	0.073	0.032	31.829	-0.005	-0.005	0.000	0.000	0.000	0.000
181	A	181	MET	0	-0.030	-0.015	31.960	0.000	0.000	0.000	0.000	0.000	0.000
182	A	182	GLU	-1	-0.967	-0.973	31.041	0.041	0.041	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.021	-0.012	35.359	0.001	0.001	0.000	0.000	0.000	0.000
184	A	184	ALA	0	-0.027	-0.002	34.067	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	185	LYS	1	0.942	0.959	36.109	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	186	PHE	0	-0.030	-0.011	30.360	0.004	0.004	0.000	0.000	0.000	0.000
187	A	187	GLU	-1	-0.858	-0.920	35.874	-0.028	-0.028	0.000	0.000	0.000	0.000
188	A	188	TYR	0	-0.031	-0.026	26.840	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	189	GLY	0	0.013	-0.010	32.481	-0.006	-0.006	0.000	0.000	0.000	0.000
190	A	190	GLN	0	0.043	0.019	33.104	0.000	0.000	0.000	0.000	0.000	0.000
191	A	191	PHE	0	-0.018	-0.016	30.238	-0.004	-0.004	0.000	0.000	0.000	0.000
192	A	192	LYS	1	0.890	0.935	35.591	0.056	0.056	0.000	0.000	0.000	0.000
193	A	193	ALA	0	-0.042	-0.029	35.101	-0.004	-0.004	0.000	0.000	0.000	0.000
194	A	194	ARG	1	0.927	0.985	37.183	0.102	0.102	0.000	0.000	0.000	0.000
195	A	195	PRO	0	0.021	-0.002	36.111	-0.005	-0.005	0.000	0.000	0.000	0.000
196	A	196	PHE	0	-0.011	0.010	31.298	0.000	0.000	0.000	0.000	0.000	0.000
197	A	197	SER	0	0.004	-0.015	34.732	0.004	0.004	0.000	0.000	0.000	0.000
198	A	198	ILE	0	-0.008	0.003	32.196	-0.009	-0.009	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.891	-0.943	35.238	-0.121	-0.121	0.000	0.000	0.000	0.000
200	A	200	PHE	0	-0.081	-0.064	36.146	-0.010	-0.010	0.000	0.000	0.000	0.000
201	A	201	PRO	0	0.058	0.051	38.215	0.006	0.006	0.000	0.000	0.000	0.000
202	A	202	THR	0	0.035	-0.004	41.358	0.001	0.001	0.000	0.000	0.000	0.000
203	A	203	TRP	0	-0.045	-0.033	41.038	0.002	0.002	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.000	-0.002	39.160	0.002	0.002	0.000	0.000	0.000	0.000
205	A	205	ILE	0	0.022	0.001	39.541	0.000	0.000	0.000	0.000	0.000	0.000
206	A	206	ASP	-1	-0.928	-0.955	42.131	-0.088	-0.088	0.000	0.000	0.000	0.000
207	A	207	ARG	1	0.719	0.858	42.052	0.098	0.098	0.000	0.000	0.000	0.000
208	A	208	VAL	0	-0.017	-0.002	42.806	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	209	PHE	0	-0.003	-0.022	39.763	0.001	0.001	0.000	0.000	0.000	0.000
210	A	210	TYR	0	-0.054	-0.057	41.837	0.001	0.001	0.000	0.000	0.000	0.000
211	A	211	GLN	0	-0.008	-0.023	35.591	0.002	0.002	0.000	0.000	0.000	0.000
212	A	212	ILE	0	0.021	0.004	40.575	0.005	0.005	0.000	0.000	0.000	0.000
213	A	213	MET	0	0.033	0.018	38.437	-0.005	-0.005	0.000	0.000	0.000	0.000
214	A	214	PRO	0	-0.012	-0.020	41.731	0.006	0.006	0.000	0.000	0.000	0.000
215	A	215	ASP	-1	-0.871	-0.943	43.230	-0.090	-0.090	0.000	0.000	0.000	0.000
216	A	216	LYS	1	0.885	0.952	41.748	0.102	0.102	0.000	0.000	0.000	0.000
217	A	217	PHE	0	0.026	0.030	45.488	0.004	0.004	0.000	0.000	0.000	0.000
218	A	218	ALA	0	0.065	0.017	47.386	0.004	0.004	0.000	0.000	0.000	0.000
219	A	219	ARG	1	0.900	0.993	50.824	0.067	0.067	0.000	0.000	0.000	0.000
220	A	220	SER	0	-0.037	-0.013	52.707	0.003	0.003	0.000	0.000	0.000	0.000
221	A	221	ARG	1	0.937	0.958	55.289	0.061	0.061	0.000	0.000	0.000	0.000
222	A	222	LYS	1	0.895	0.956	58.329	0.060	0.060	0.000	0.000	0.000	0.000
223	A	223	ILE	0	0.021	0.005	58.331	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	224	GLN	0	-0.021	0.001	55.957	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	234	TRP	0	-0.018	-0.031	46.402	0.001	0.001	0.000	0.000	0.000	0.000
226	A	235	GLY	0	0.020	-0.006	47.205	-0.002	-0.002	0.000	0.000	0.000	0.000
227	A	236	GLY	0	-0.031	0.008	48.016	0.003	0.003	0.000	0.000	0.000	0.000
228	A	237	ASP	-1	-0.781	-0.908	47.918	-0.080	-0.080	0.000	0.000	0.000	0.000
229	A	238	LEU	0	0.013	-0.019	45.605	0.000	0.000	0.000	0.000	0.000	0.000
230	A	239	ILE	0	-0.065	-0.021	49.460	0.001	0.001	0.000	0.000	0.000	0.000
231	A	240	GLY	0	0.049	0.010	52.271	0.002	0.002	0.000	0.000	0.000	0.000
232	A	241	ILE	0	-0.032	-0.015	46.241	0.001	0.001	0.000	0.000	0.000	0.000
233	A	242	LYS	1	0.956	0.981	50.542	0.070	0.070	0.000	0.000	0.000	0.000
234	A	243	GLU	-1	-0.870	-0.936	53.266	-0.062	-0.062	0.000	0.000	0.000	0.000
235	A	244	LYS	1	0.886	0.970	52.107	0.067	0.067	0.000	0.000	0.000	0.000
236	A	245	ILE	0	0.036	0.016	52.218	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	246	ASP	-1	-0.865	-0.926	53.809	-0.062	-0.062	0.000	0.000	0.000	0.000
238	A	247	HIS	0	-0.031	-0.032	50.223	0.003	0.003	0.000	0.000	0.000	0.000
239	A	248	LEU	0	-0.024	-0.011	48.348	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	249	VAL	0	0.014	0.005	51.408	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	250	ASN	0	-0.048	-0.018	53.744	0.002	0.002	0.000	0.000	0.000	0.000
242	A	251	LEU	0	-0.075	-0.020	47.536	0.001	0.001	0.000	0.000	0.000	0.000
243	A	252	GLY	0	-0.005	0.001	51.221	0.000	0.000	0.000	0.000	0.000	0.000
244	A	253	ILE	0	-0.020	0.005	46.024	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	254	ASN	0	0.040	0.014	46.108	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	255	ALA	0	0.043	0.015	42.515	-0.002	-0.002	0.000	0.000	0.000	0.000
247	A	256	ILE	0	-0.002	0.007	43.040	0.001	0.001	0.000	0.000	0.000	0.000
248	A	257	TYR	0	-0.047	-0.019	34.263	-0.004	-0.004	0.000	0.000	0.000	0.000
249	A	258	LEU	0	-0.030	-0.018	39.822	0.003	0.003	0.000	0.000	0.000	0.000
250	A	259	THR	0	0.042	0.023	36.945	-0.006	-0.006	0.000	0.000	0.000	0.000
251	A	260	PRO	0	-0.054	-0.015	35.215	0.006	0.006	0.000	0.000	0.000	0.000
252	A	261	ILE	0	0.057	0.020	38.101	0.006	0.006	0.000	0.000	0.000	0.000
253	A	262	PHE	0	-0.006	0.008	37.107	0.006	0.006	0.000	0.000	0.000	0.000
254	A	263	SER	0	-0.011	0.004	41.025	0.004	0.004	0.000	0.000	0.000	0.000
255	A	264	SER	0	0.030	0.015	38.429	-0.004	-0.004	0.000	0.000	0.000	0.000
256	A	265	LEU	0	-0.022	-0.002	37.591	0.007	0.007	0.000	0.000	0.000	0.000
257	A	266	THR	0	-0.005	-0.010	37.887	0.008	0.008	0.000	0.000	0.000	0.000
258	A	267	TYR	0	-0.046	-0.036	40.313	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	268	HIS	0	-0.015	-0.007	36.376	0.002	0.002	0.000	0.000	0.000	0.000
260	A	269	GLY	0	0.018	0.006	37.817	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	270	TYR	0	-0.016	-0.027	31.917	0.001	0.001	0.000	0.000	0.000	0.000
262	A	271	ASP	-1	-0.776	-0.888	32.772	-0.153	-0.153	0.000	0.000	0.000	0.000
263	A	272	ILE	0	-0.008	-0.006	34.635	0.011	0.011	0.000	0.000	0.000	0.000
264	A	273	VAL	0	-0.018	-0.030	36.190	-0.006	-0.006	0.000	0.000	0.000	0.000
265	A	274	ASP	-1	-0.862	-0.948	38.908	-0.118	-0.118	0.000	0.000	0.000	0.000
266	A	275	TYR	0	0.005	-0.014	32.588	0.004	0.004	0.000	0.000	0.000	0.000
267	A	276	PHE	0	-0.007	0.004	39.286	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	277	HIS	1	0.860	0.935	42.710	0.111	0.111	0.000	0.000	0.000	0.000
269	A	278	VAL	0	0.015	0.016	43.374	-0.005	-0.005	0.000	0.000	0.000	0.000
270	A	279	ALA	0	-0.019	-0.017	43.246	0.004	0.004	0.000	0.000	0.000	0.000
271	A	280	ARG	1	0.976	0.972	45.175	0.088	0.088	0.000	0.000	0.000	0.000
272	A	281	ARG	1	0.878	0.943	41.969	0.111	0.111	0.000	0.000	0.000	0.000
273	A	282	LEU	0	0.006	0.021	43.272	0.002	0.002	0.000	0.000	0.000	0.000
274	A	283	GLY	0	0.084	0.037	47.934	0.001	0.001	0.000	0.000	0.000	0.000
275	A	284	GLY	0	-0.052	-0.019	49.185	0.003	0.003	0.000	0.000	0.000	0.000
276	A	285	ASP	-1	-0.833	-0.948	47.639	-0.099	-0.099	0.000	0.000	0.000	0.000
277	A	286	ARG	1	0.968	0.986	49.811	0.071	0.071	0.000	0.000	0.000	0.000
278	A	287	ALA	0	0.045	0.033	50.864	0.001	0.001	0.000	0.000	0.000	0.000
279	A	288	PHE	0	0.044	0.014	44.500	0.000	0.000	0.000	0.000	0.000	0.000
280	A	289	VAL	0	-0.026	-0.005	49.299	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	290	ASP	-1	-0.894	-0.957	51.494	-0.071	-0.071	0.000	0.000	0.000	0.000
282	A	291	LEU	0	-0.058	-0.027	47.844	0.001	0.001	0.000	0.000	0.000	0.000
283	A	292	LEU	0	0.026	0.006	46.582	0.001	0.001	0.000	0.000	0.000	0.000
284	A	293	SER	0	-0.045	-0.012	50.184	0.001	0.001	0.000	0.000	0.000	0.000
285	A	294	GLU	-1	-0.814	-0.900	53.517	-0.065	-0.065	0.000	0.000	0.000	0.000
286	A	295	LEU	0	0.006	-0.010	47.751	0.001	0.001	0.000	0.000	0.000	0.000
287	A	296	LYS	1	0.886	0.943	47.971	0.095	0.095	0.000	0.000	0.000	0.000
288	A	297	ARG	1	0.834	0.921	52.263	0.064	0.064	0.000	0.000	0.000	0.000
289	A	298	PHE	0	-0.060	-0.022	53.432	0.003	0.003	0.000	0.000	0.000	0.000
290	A	299	ASP	-1	-0.869	-0.923	50.417	-0.086	-0.086	0.000	0.000	0.000	0.000
291	A	300	ILE	0	-0.028	-0.003	47.174	-0.003	-0.003	0.000	0.000	0.000	0.000
292	A	301	LYS	1	0.860	0.950	43.888	0.095	0.095	0.000	0.000	0.000	0.000
293	A	302	VAL	0	-0.004	-0.019	42.966	0.000	0.000	0.000	0.000	0.000	0.000
294	A	303	ILE	0	-0.039	0.013	36.916	-0.003	-0.003	0.000	0.000	0.000	0.000
295	A	304	LEU	0	-0.015	-0.013	38.745	0.004	0.004	0.000	0.000	0.000	0.000
296	A	305	ASP	-1	-0.708	-0.853	33.275	-0.189	-0.189	0.000	0.000	0.000	0.000
297	A	306	GLY	0	-0.021	-0.006	33.399	0.005	0.005	0.000	0.000	0.000	0.000
298	A	307	VAL	0	0.006	0.013	30.658	-0.012	-0.012	0.000	0.000	0.000	0.000
299	A	308	PHE	0	0.041	0.000	29.249	0.009	0.009	0.000	0.000	0.000	0.000
300	A	309	HIS	0	0.051	0.042	22.724	-0.039	-0.039	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.066	0.040	25.939	-0.031	-0.031	0.000	0.000	0.000	0.000
302	A	311	THR	0	0.035	0.030	28.385	0.009	0.009	0.000	0.000	0.000	0.000
303	A	312	SER	0	0.007	0.006	31.417	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	313	PHE	0	0.010	0.008	32.062	0.001	0.001	0.000	0.000	0.000	0.000
305	A	314	PHE	0	-0.011	-0.030	33.848	0.003	0.003	0.000	0.000	0.000	0.000
306	A	315	HIS	0	0.042	0.055	35.276	0.007	0.007	0.000	0.000	0.000	0.000
307	A	316	PRO	0	0.007	-0.006	37.024	-0.002	-0.002	0.000	0.000	0.000	0.000
308	A	317	TYR	0	0.013	-0.002	34.534	0.005	0.005	0.000	0.000	0.000	0.000
309	A	318	PHE	0	0.041	0.027	29.299	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	319	GLN	0	-0.048	-0.030	34.111	0.012	0.012	0.000	0.000	0.000	0.000
311	A	320	ASP	-1	-0.823	-0.915	37.219	-0.126	-0.126	0.000	0.000	0.000	0.000
312	A	321	VAL	0	0.016	0.008	31.233	0.003	0.003	0.000	0.000	0.000	0.000
313	A	322	VAL	0	-0.044	-0.017	33.887	0.002	0.002	0.000	0.000	0.000	0.000
314	A	323	ARG	1	0.865	0.943	35.567	0.118	0.118	0.000	0.000	0.000	0.000
315	A	324	LYS	1	0.856	0.939	37.491	0.121	0.121	0.000	0.000	0.000	0.000
316	A	325	GLY	0	0.044	0.046	33.702	0.002	0.002	0.000	0.000	0.000	0.000
317	A	326	GLU	-1	-0.863	-0.954	32.136	-0.149	-0.149	0.000	0.000	0.000	0.000
318	A	327	ASN	0	-0.005	-0.006	34.144	0.001	0.001	0.000	0.000	0.000	0.000
319	A	328	SER	0	-0.016	-0.014	34.797	0.002	0.002	0.000	0.000	0.000	0.000
320	A	329	SER	0	-0.061	-0.044	34.647	-0.007	-0.007	0.000	0.000	0.000	0.000
321	A	330	PHE	0	-0.005	-0.011	33.548	-0.005	-0.005	0.000	0.000	0.000	0.000
322	A	331	LYS	1	0.955	0.985	30.410	0.157	0.157	0.000	0.000	0.000	0.000
323	A	332	ASN	0	-0.052	-0.021	26.435	0.004	0.004	0.000	0.000	0.000	0.000
324	A	333	PHE	0	0.020	0.013	28.022	-0.014	-0.014	0.000	0.000	0.000	0.000
325	A	334	TYR	0	0.022	0.004	26.966	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	335	ARG	1	0.873	0.952	19.332	0.466	0.466	0.000	0.000	0.000	0.000
327	A	336	ILE	0	-0.016	0.001	23.949	0.001	0.001	0.000	0.000	0.000	0.000
328	A	337	ILE	0	0.009	0.013	20.671	-0.011	-0.011	0.000	0.000	0.000	0.000
329	A	338	LYS	1	0.901	0.950	23.111	0.207	0.207	0.000	0.000	0.000	0.000
330	A	339	PHE	0	0.069	0.015	25.918	-0.003	-0.003	0.000	0.000	0.000	0.000
331	A	340	PRO	0	-0.062	0.047	28.768	0.007	0.007	0.000	0.000	0.000	0.000
332	A	341	VAL	0	0.025	-0.040	29.640	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	342	VAL	0	0.006	0.004	29.941	-0.007	-0.007	0.000	0.000	0.000	0.000
334	A	343	SER	0	0.010	-0.007	32.480	0.007	0.007	0.000	0.000	0.000	0.000
335	A	344	LYS	1	1.031	0.999	31.743	0.116	0.116	0.000	0.000	0.000	0.000
336	A	345	GLU	-1	-0.861	-0.888	36.582	-0.068	-0.068	0.000	0.000	0.000	0.000
337	A	346	PHE	0	-0.004	-0.038	35.475	0.001	0.001	0.000	0.000	0.000	0.000
338	A	347	LEU	0	0.048	0.017	32.168	0.001	0.001	0.000	0.000	0.000	0.000
339	A	348	GLN	0	0.073	0.012	36.116	-0.004	-0.004	0.000	0.000	0.000	0.000
340	A	349	ILE	0	0.010	0.021	39.260	0.002	0.002	0.000	0.000	0.000	0.000
341	A	350	LEU	0	-0.063	-0.041	36.476	0.004	0.004	0.000	0.000	0.000	0.000
342	A	351	HIS	0	0.069	0.036	37.727	0.002	0.002	0.000	0.000	0.000	0.000
343	A	352	SER	0	-0.010	0.015	40.274	0.001	0.001	0.000	0.000	0.000	0.000
344	A	353	LYS	1	0.922	0.974	43.371	0.068	0.068	0.000	0.000	0.000	0.000
345	A	354	SER	0	-0.025	-0.001	45.152	0.003	0.003	0.000	0.000	0.000	0.000
346	A	355	SER	0	-0.016	-0.039	42.349	-0.004	-0.004	0.000	0.000	0.000	0.000
347	A	356	TRP	0	-0.026	-0.031	43.431	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	357	GLU	-1	-0.841	-0.910	38.719	-0.111	-0.111	0.000	0.000	0.000	0.000
349	A	358	GLU	-1	-0.905	-0.936	38.809	-0.085	-0.085	0.000	0.000	0.000	0.000
350	A	359	LYS	1	0.846	0.921	38.306	0.087	0.087	0.000	0.000	0.000	0.000
351	A	360	TYR	0	-0.004	-0.007	30.964	-0.007	-0.007	0.000	0.000	0.000	0.000
352	A	361	LYS	1	0.932	0.953	31.195	0.112	0.112	0.000	0.000	0.000	0.000
353	A	362	LYS	1	0.948	1.002	33.381	0.084	0.084	0.000	0.000	0.000	0.000
354	A	363	ILE	0	0.019	0.000	32.241	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	364	LYS	1	0.922	0.969	27.828	0.157	0.157	0.000	0.000	0.000	0.000
356	A	365	SER	0	-0.017	-0.039	29.000	-0.008	-0.008	0.000	0.000	0.000	0.000
357	A	366	LEU	0	-0.063	-0.003	29.723	0.004	0.004	0.000	0.000	0.000	0.000
358	A	367	GLY	0	0.038	0.041	27.323	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.074	-0.046	25.302	0.027	0.027	0.000	0.000	0.000	0.000
360	A	369	ASN	0	-0.013	-0.012	25.514	-0.014	-0.014	0.000	0.000	0.000	0.000
361	A	370	TYR	0	-0.026	-0.044	24.648	0.004	0.004	0.000	0.000	0.000	0.000
362	A	371	GLU	-1	-0.682	-0.802	19.405	-0.486	-0.486	0.000	0.000	0.000	0.000
363	A	372	SER	0	-0.006	-0.010	22.692	0.029	0.029	0.000	0.000	0.000	0.000
364	A	373	PHE	0	0.021	0.029	22.561	-0.027	-0.027	0.000	0.000	0.000	0.000
365	A	374	PHE	0	0.071	0.040	19.795	0.030	0.030	0.000	0.000	0.000	0.000
366	A	375	SER	0	-0.009	-0.016	22.473	0.005	0.005	0.000	0.000	0.000	0.000
367	A	376	VAL	0	-0.024	-0.002	24.798	0.027	0.027	0.000	0.000	0.000	0.000
368	A	377	TRP	0	0.051	0.030	27.931	-0.007	-0.007	0.000	0.000	0.000	0.000
369	A	378	ILE	0	-0.029	0.006	28.979	0.001	0.001	0.000	0.000	0.000	0.000
370	A	379	MET	0	-0.033	-0.026	28.334	0.006	0.006	0.000	0.000	0.000	0.000
371	A	380	PRO	0	-0.027	0.006	27.085	-0.020	-0.020	0.000	0.000	0.000	0.000
372	A	381	ARG	1	0.844	0.891	19.291	0.441	0.441	0.000	0.000	0.000	0.000
373	A	382	LEU	0	-0.043	-0.021	25.342	0.010	0.010	0.000	0.000	0.000	0.000
374	A	383	ASN	0	-0.032	-0.012	23.675	-0.052	-0.052	0.000	0.000	0.000	0.000
375	A	384	HIS	0	0.032	-0.011	22.539	-0.007	-0.007	0.000	0.000	0.000	0.000
376	A	385	ASP	-1	-0.852	-0.905	20.085	-0.508	-0.508	0.000	0.000	0.000	0.000
377	A	386	ASN	0	-0.085	-0.029	23.352	0.029	0.029	0.000	0.000	0.000	0.000
378	A	387	PRO	0	0.090	0.022	26.873	0.008	0.008	0.000	0.000	0.000	0.000
379	A	388	LYS	1	0.956	0.972	29.445	0.217	0.217	0.000	0.000	0.000	0.000
380	A	389	VAL	0	-0.013	0.010	27.866	0.014	0.014	0.000	0.000	0.000	0.000
381	A	390	ARG	1	0.886	0.908	22.891	0.366	0.366	0.000	0.000	0.000	0.000
382	A	391	GLU	-1	-0.869	-0.922	30.041	-0.182	-0.182	0.000	0.000	0.000	0.000
383	A	392	PHE	0	-0.058	-0.030	32.922	0.013	0.013	0.000	0.000	0.000	0.000
384	A	393	ILE	0	0.021	0.012	28.840	0.009	0.009	0.000	0.000	0.000	0.000
385	A	394	LYS	1	0.910	0.954	32.012	0.223	0.223	0.000	0.000	0.000	0.000
386	A	395	ASN	0	0.001	-0.006	34.930	0.013	0.013	0.000	0.000	0.000	0.000
387	A	396	VAL	0	-0.045	-0.007	35.939	0.010	0.010	0.000	0.000	0.000	0.000
388	A	397	ILE	0	0.004	0.002	32.851	0.010	0.010	0.000	0.000	0.000	0.000
389	A	398	LEU	0	0.058	0.017	37.434	0.010	0.010	0.000	0.000	0.000	0.000
390	A	399	PHE	0	-0.041	0.004	40.196	0.011	0.011	0.000	0.000	0.000	0.000
391	A	400	TRP	0	-0.037	-0.039	39.665	0.012	0.012	0.000	0.000	0.000	0.000
392	A	401	THR	0	-0.001	0.008	39.657	0.005	0.005	0.000	0.000	0.000	0.000
393	A	402	ASN	0	-0.050	-0.050	42.337	0.008	0.008	0.000	0.000	0.000	0.000
394	A	403	LYS	1	0.858	0.952	45.374	0.111	0.111	0.000	0.000	0.000	0.000
395	A	404	GLY	0	-0.001	0.006	46.030	0.005	0.005	0.000	0.000	0.000	0.000
396	A	405	VAL	0	-0.030	0.001	40.691	0.001	0.001	0.000	0.000	0.000	0.000
397	A	406	ASP	-1	-0.830	-0.917	42.572	-0.109	-0.109	0.000	0.000	0.000	0.000
398	A	407	GLY	0	0.071	0.006	38.543	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	408	PHE	0	-0.056	-0.041	34.310	0.005	0.005	0.000	0.000	0.000	0.000
400	A	409	ARG	1	0.898	0.943	30.268	0.195	0.195	0.000	0.000	0.000	0.000
401	A	410	MET	0	-0.081	-0.045	28.818	0.007	0.007	0.000	0.000	0.000	0.000
402	A	411	ASP	-1	-0.817	-0.947	28.629	-0.237	-0.237	0.000	0.000	0.000	0.000
403	A	412	VAL	0	-0.017	-0.010	23.334	-0.016	-0.016	0.000	0.000	0.000	0.000
404	A	413	ALA	0	0.012	0.012	24.088	-0.026	-0.026	0.000	0.000	0.000	0.000
405	A	414	HIS	0	0.072	0.038	19.963	-0.025	-0.025	0.000	0.000	0.000	0.000
406	A	415	GLY	0	-0.008	-0.006	19.329	-0.055	-0.055	0.000	0.000	0.000	0.000
407	A	416	VAL	0	-0.062	-0.028	20.765	-0.007	-0.007	0.000	0.000	0.000	0.000
408	A	417	PRO	0	0.005	0.007	19.388	-0.008	-0.008	0.000	0.000	0.000	0.000
409	A	418	PRO	0	0.033	0.010	19.228	0.049	0.049	0.000	0.000	0.000	0.000
410	A	419	GLU	-1	-0.895	-0.964	21.845	-0.323	-0.323	0.000	0.000	0.000	0.000
411	A	420	VAL	0	-0.019	0.007	23.766	0.032	0.032	0.000	0.000	0.000	0.000
412	A	421	TRP	0	0.020	-0.013	24.172	0.043	0.043	0.000	0.000	0.000	0.000
413	A	422	LYS	1	0.945	0.989	25.697	0.313	0.313	0.000	0.000	0.000	0.000
414	A	423	GLU	-1	-0.811	-0.892	27.573	-0.262	-0.262	0.000	0.000	0.000	0.000
415	A	424	VAL	0	-0.057	-0.029	29.877	0.020	0.020	0.000	0.000	0.000	0.000
416	A	425	ARG	1	0.833	0.916	30.833	0.213	0.213	0.000	0.000	0.000	0.000
417	A	426	GLU	-1	-0.991	-0.990	32.161	-0.183	-0.183	0.000	0.000	0.000	0.000
418	A	427	ALA	0	-0.023	-0.010	34.077	0.012	0.012	0.000	0.000	0.000	0.000
419	A	428	LEU	0	-0.053	-0.012	35.346	0.012	0.012	0.000	0.000	0.000	0.000
420	A	429	PRO	0	-0.041	-0.027	37.494	0.003	0.003	0.000	0.000	0.000	0.000
421	A	430	LYS	1	1.007	0.983	39.059	0.136	0.136	0.000	0.000	0.000	0.000
422	A	431	GLU	-1	-0.862	-0.930	40.342	-0.112	-0.112	0.000	0.000	0.000	0.000
423	A	432	LYS	1	0.848	0.948	38.852	0.123	0.123	0.000	0.000	0.000	0.000
424	A	433	TYR	0	-0.041	-0.034	35.101	-0.004	-0.004	0.000	0.000	0.000	0.000
425	A	434	LEU	0	-0.018	-0.006	31.103	0.001	0.001	0.000	0.000	0.000	0.000
426	A	435	ILE	0	0.007	0.009	31.153	-0.007	-0.007	0.000	0.000	0.000	0.000
427	A	436	GLY	0	0.050	0.022	27.796	0.000	0.000	0.000	0.000	0.000	0.000
428	A	437	GLU	-1	-0.880	-0.935	26.259	-0.236	-0.236	0.000	0.000	0.000	0.000
429	A	438	VAL	0	-0.011	-0.021	22.489	-0.020	-0.020	0.000	0.000	0.000	0.000
430	A	439	MET	0	-0.009	-0.020	22.193	0.026	0.026	0.000	0.000	0.000	0.000
431	A	440	ASP	-1	-0.737	-0.849	18.860	-0.343	-0.343	0.000	0.000	0.000	0.000
432	A	441	ASP	-1	-0.841	-0.910	18.983	-0.334	-0.334	0.000	0.000	0.000	0.000
433	A	442	ALA	0	0.053	0.009	20.546	-0.029	-0.029	0.000	0.000	0.000	0.000
434	A	443	ARG	1	0.870	0.929	19.920	0.325	0.325	0.000	0.000	0.000	0.000
435	A	444	LEU	0	-0.021	-0.016	16.306	0.016	0.016	0.000	0.000	0.000	0.000
436	A	445	TRP	0	-0.072	-0.037	18.721	0.000	0.000	0.000	0.000	0.000	0.000
437	A	446	LEU	0	0.009	0.020	23.764	0.027	0.027	0.000	0.000	0.000	0.000
438	A	447	PHE	0	-0.015	-0.009	24.554	-0.010	-0.010	0.000	0.000	0.000	0.000
439	A	448	ASP	-1	-0.816	-0.901	26.797	-0.275	-0.275	0.000	0.000	0.000	0.000
440	A	449	LYS	1	0.828	0.916	22.859	0.354	0.354	0.000	0.000	0.000	0.000
441	A	450	PHE	0	-0.030	0.001	25.414	0.018	0.018	0.000	0.000	0.000	0.000
442	A	451	HIS	0	0.005	0.005	29.646	-0.004	-0.004	0.000	0.000	0.000	0.000
443	A	452	GLY	0	0.049	0.009	30.376	0.003	0.003	0.000	0.000	0.000	0.000
444	A	453	VAL	0	-0.032	-0.019	26.030	-0.006	-0.006	0.000	0.000	0.000	0.000
445	A	454	MET	0	-0.039	0.019	28.786	0.011	0.011	0.000	0.000	0.000	0.000
446	A	455	ASN	0	0.019	0.008	27.978	-0.027	-0.027	0.000	0.000	0.000	0.000
447	A	456	TYR	0	0.077	0.026	25.480	0.016	0.016	0.000	0.000	0.000	0.000
448	A	457	ARG	1	0.917	0.971	20.565	0.275	0.275	0.000	0.000	0.000	0.000
449	A	458	LEU	0	-0.005	0.013	26.024	0.013	0.013	0.000	0.000	0.000	0.000
450	A	459	TYR	0	0.006	0.005	28.694	0.011	0.011	0.000	0.000	0.000	0.000
451	A	460	ASP	-1	-0.789	-0.912	25.575	-0.169	-0.169	0.000	0.000	0.000	0.000
452	A	461	ALA	0	0.003	0.012	27.943	0.012	0.012	0.000	0.000	0.000	0.000
453	A	462	ILE	0	-0.018	-0.018	29.801	0.013	0.013	0.000	0.000	0.000	0.000
454	A	463	LEU	0	-0.020	-0.003	29.008	0.012	0.012	0.000	0.000	0.000	0.000
455	A	464	ARG	1	0.961	0.994	26.219	0.138	0.138	0.000	0.000	0.000	0.000
456	A	465	PHE	0	-0.036	0.006	31.264	0.011	0.011	0.000	0.000	0.000	0.000
457	A	466	PHE	0	-0.005	-0.022	34.513	0.007	0.007	0.000	0.000	0.000	0.000
458	A	467	GLY	0	-0.018	0.000	35.039	0.005	0.005	0.000	0.000	0.000	0.000
459	A	468	TYR	0	0.015	-0.003	30.919	0.000	0.000	0.000	0.000	0.000	0.000
460	A	469	GLU	-1	-0.912	-0.936	34.867	-0.051	-0.051	0.000	0.000	0.000	0.000
461	A	470	GLU	-1	-0.885	-0.960	29.782	-0.089	-0.089	0.000	0.000	0.000	0.000
462	A	471	ILE	0	-0.060	-0.004	29.707	0.002	0.002	0.000	0.000	0.000	0.000
463	A	472	THR	0	-0.085	-0.051	32.966	0.002	0.002	0.000	0.000	0.000	0.000
464	A	473	ALA	0	0.012	0.002	34.714	-0.006	-0.006	0.000	0.000	0.000	0.000
465	A	474	GLU	-1	-0.789	-0.909	34.925	-0.054	-0.054	0.000	0.000	0.000	0.000
466	A	475	GLU	-1	-0.848	-0.925	30.459	-0.068	-0.068	0.000	0.000	0.000	0.000
467	A	476	PHE	0	0.011	0.000	30.701	-0.010	-0.010	0.000	0.000	0.000	0.000
468	A	477	LEU	0	-0.014	-0.013	31.981	-0.008	-0.008	0.000	0.000	0.000	0.000
469	A	478	ASN	0	0.041	0.016	26.834	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	479	GLU	-1	-0.916	-0.964	25.771	-0.163	-0.163	0.000	0.000	0.000	0.000
471	A	480	LEU	0	-0.066	-0.027	28.500	-0.013	-0.013	0.000	0.000	0.000	0.000
472	A	481	GLU	-1	-0.855	-0.942	30.750	-0.108	-0.108	0.000	0.000	0.000	0.000
473	A	482	LEU	0	-0.044	-0.010	24.029	-0.004	-0.004	0.000	0.000	0.000	0.000
474	A	483	LEU	0	-0.015	-0.003	25.505	-0.016	-0.016	0.000	0.000	0.000	0.000
475	A	484	SER	0	-0.031	0.005	27.720	-0.005	-0.005	0.000	0.000	0.000	0.000
476	A	485	SER	0	-0.034	-0.023	27.217	0.003	0.003	0.000	0.000	0.000	0.000
477	A	486	TYR	0	-0.082	-0.078	21.897	-0.016	-0.016	0.000	0.000	0.000	0.000
478	A	487	TYR	0	0.015	-0.017	24.031	-0.025	-0.025	0.000	0.000	0.000	0.000
479	A	488	GLY	0	0.071	0.044	28.011	0.000	0.000	0.000	0.000	0.000	0.000
480	A	489	PRO	0	-0.001	-0.001	31.000	0.005	0.005	0.000	0.000	0.000	0.000
481	A	490	ALA	0	0.048	0.010	29.746	0.005	0.005	0.000	0.000	0.000	0.000
482	A	491	GLU	-1	-0.815	-0.899	31.456	-0.138	-0.138	0.000	0.000	0.000	0.000
483	A	492	TYR	0	-0.042	-0.038	32.291	0.007	0.007	0.000	0.000	0.000	0.000
484	A	493	LEU	0	-0.002	0.002	33.796	0.006	0.006	0.000	0.000	0.000	0.000
485	A	494	MET	0	-0.053	0.019	27.587	-0.009	-0.009	0.000	0.000	0.000	0.000
486	A	495	TYR	0	0.041	0.032	32.256	0.013	0.013	0.000	0.000	0.000	0.000
487	A	496	ASN	0	0.038	-0.003	32.898	-0.017	-0.017	0.000	0.000	0.000	0.000
488	A	497	PHE	0	-0.008	0.001	29.809	0.007	0.007	0.000	0.000	0.000	0.000
489	A	498	LEU	0	0.017	0.014	34.395	-0.002	-0.002	0.000	0.000	0.000	0.000
490	A	499	ASH	0	-0.084	-0.087	34.920	0.003	0.003	0.000	0.000	0.000	0.000
491	A	500	ASN	0	0.053	0.030	31.423	0.000	0.000	0.000	0.000	0.000	0.000
492	A	501	HIS	0	0.061	0.040	32.838	0.012	0.012	0.000	0.000	0.000	0.000
493	A	502	ASP	-1	-0.909	-0.952	30.170	-0.178	-0.178	0.000	0.000	0.000	0.000
494	A	503	VAL	0	-0.048	0.004	30.327	-0.004	-0.004	0.000	0.000	0.000	0.000
495	A	504	GLU	-1	-0.855	-0.931	32.584	-0.120	-0.120	0.000	0.000	0.000	0.000
496	A	505	ARG	1	0.788	0.873	35.696	0.094	0.094	0.000	0.000	0.000	0.000
497	A	506	PHE	0	0.029	-0.003	35.068	0.004	0.004	0.000	0.000	0.000	0.000
498	A	507	LEU	0	-0.035	-0.017	38.446	0.005	0.005	0.000	0.000	0.000	0.000
499	A	508	ASP	-1	-0.787	-0.918	39.524	-0.075	-0.075	0.000	0.000	0.000	0.000
500	A	509	ILE	0	-0.052	0.007	34.059	0.003	0.003	0.000	0.000	0.000	0.000
501	A	510	VAL	0	-0.008	-0.005	38.072	0.004	0.004	0.000	0.000	0.000	0.000
502	A	511	GLY	0	0.030	0.046	40.440	0.005	0.005	0.000	0.000	0.000	0.000
503	A	512	ASP	-1	-0.843	-0.931	43.534	-0.049	-0.049	0.000	0.000	0.000	0.000
504	A	513	LYS	1	0.930	0.941	45.051	0.054	0.054	0.000	0.000	0.000	0.000
505	A	514	ARG	1	0.851	0.909	47.179	0.044	0.044	0.000	0.000	0.000	0.000
506	A	515	LYS	1	0.886	0.938	41.942	0.057	0.057	0.000	0.000	0.000	0.000
507	A	516	TYR	0	0.074	0.037	41.401	-0.003	-0.003	0.000	0.000	0.000	0.000
508	A	517	VAL	0	0.007	0.004	43.191	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	518	CYS	0	-0.050	-0.009	43.512	0.000	0.000	0.000	0.000	0.000	0.000
510	A	519	ALA	0	0.036	0.034	39.109	-0.002	-0.002	0.000	0.000	0.000	0.000
511	A	520	LEU	0	0.004	0.001	40.500	-0.004	-0.004	0.000	0.000	0.000	0.000
512	A	521	VAL	0	-0.018	-0.014	42.669	-0.002	-0.002	0.000	0.000	0.000	0.000
513	A	522	PHE	0	0.017	0.014	35.558	0.000	0.000	0.000	0.000	0.000	0.000
514	A	523	LEU	0	-0.019	-0.004	37.130	-0.003	-0.003	0.000	0.000	0.000	0.000
515	A	524	MET	0	-0.019	-0.006	39.613	-0.004	-0.004	0.000	0.000	0.000	0.000
516	A	525	THR	0	-0.043	-0.002	42.134	0.002	0.002	0.000	0.000	0.000	0.000
517	A	526	TYR	0	0.049	0.037	33.293	0.006	0.006	0.000	0.000	0.000	0.000
518	A	527	LYS	1	0.843	0.928	34.559	0.119	0.119	0.000	0.000	0.000	0.000
519	A	528	GLY	0	0.050	0.028	35.684	-0.007	-0.007	0.000	0.000	0.000	0.000
520	A	529	ILE	0	-0.011	-0.002	36.484	0.009	0.009	0.000	0.000	0.000	0.000
521	A	530	PRO	0	-0.016	0.011	37.361	-0.005	-0.005	0.000	0.000	0.000	0.000
522	A	531	SER	0	-0.032	-0.035	37.182	0.000	0.000	0.000	0.000	0.000	0.000
523	A	532	LEU	0	-0.001	-0.005	39.705	0.002	0.002	0.000	0.000	0.000	0.000
524	A	533	PHE	0	0.033	0.033	38.839	-0.004	-0.004	0.000	0.000	0.000	0.000
525	A	534	TYR	0	0.004	-0.037	40.739	0.004	0.004	0.000	0.000	0.000	0.000
526	A	535	GLY	0	0.077	0.034	43.797	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	536	ASP	-1	-0.775	-0.846	41.117	-0.095	-0.095	0.000	0.000	0.000	0.000
528	A	537	GLU	-1	-0.808	-0.876	44.700	-0.078	-0.078	0.000	0.000	0.000	0.000
529	A	538	ILE	0	-0.033	-0.015	47.953	0.004	0.004	0.000	0.000	0.000	0.000
530	A	539	GLY	0	-0.022	-0.015	46.948	0.003	0.003	0.000	0.000	0.000	0.000
531	A	540	LEU	0	-0.050	-0.008	44.861	0.002	0.002	0.000	0.000	0.000	0.000
532	A	541	ARG	1	0.825	0.915	43.690	0.063	0.063	0.000	0.000	0.000	0.000
533	A	542	GLY	0	-0.009	-0.012	41.404	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	543	ILE	0	-0.033	-0.012	42.246	0.005	0.005	0.000	0.000	0.000	0.000
535	A	544	ASN	0	0.097	0.058	42.058	-0.007	-0.007	0.000	0.000	0.000	0.000
536	A	545	LEU	0	-0.082	-0.042	40.298	0.002	0.002	0.000	0.000	0.000	0.000
537	A	546	GLN	0	-0.054	-0.044	40.755	-0.006	-0.006	0.000	0.000	0.000	0.000
538	A	547	GLY	0	0.010	0.008	40.824	0.000	0.000	0.000	0.000	0.000	0.000
539	A	548	MET	0	-0.056	-0.005	35.659	-0.002	-0.002	0.000	0.000	0.000	0.000
540	A	549	GLU	-1	-0.840	-0.934	38.122	-0.074	-0.074	0.000	0.000	0.000	0.000
541	A	550	SER	0	-0.004	0.001	37.364	-0.009	-0.009	0.000	0.000	0.000	0.000
542	A	551	SER	0	0.024	0.005	36.385	0.006	0.006	0.000	0.000	0.000	0.000
543	A	552	ARG	1	0.847	0.912	33.538	0.142	0.142	0.000	0.000	0.000	0.000
544	A	553	ALA	0	0.042	0.031	40.565	0.002	0.002	0.000	0.000	0.000	0.000
545	A	554	PRO	0	-0.016	-0.001	44.043	-0.003	-0.003	0.000	0.000	0.000	0.000
546	A	555	MET	0	0.017	0.025	46.942	0.001	0.001	0.000	0.000	0.000	0.000
547	A	556	LEU	0	0.005	0.011	48.461	0.002	0.002	0.000	0.000	0.000	0.000
548	A	557	TRP	0	-0.040	-0.050	50.680	0.001	0.001	0.000	0.000	0.000	0.000
549	A	558	ASN	0	0.001	0.018	54.765	0.002	0.002	0.000	0.000	0.000	0.000
550	A	559	GLU	-1	-0.869	-0.957	56.457	-0.053	-0.053	0.000	0.000	0.000	0.000
551	A	560	GLU	-1	-0.980	-0.973	57.733	-0.044	-0.044	0.000	0.000	0.000	0.000
552	A	561	GLU	-1	-0.950	-0.997	54.062	-0.055	-0.055	0.000	0.000	0.000	0.000
553	A	562	TRP	0	-0.088	-0.036	53.017	-0.002	-0.002	0.000	0.000	0.000	0.000
554	A	563	ASP	-1	-0.767	-0.815	51.310	-0.052	-0.052	0.000	0.000	0.000	0.000
555	A	564	GLN	0	0.071	-0.004	52.961	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	565	ARG	1	0.944	0.993	53.607	0.044	0.044	0.000	0.000	0.000	0.000
557	A	566	ILE	0	-0.007	-0.004	47.620	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	567	LEU	0	0.038	0.057	50.378	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	568	GLU	-1	-0.957	-0.979	52.130	-0.050	-0.050	0.000	0.000	0.000	0.000
560	A	569	ILE	0	-0.018	-0.029	48.937	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	570	THR	0	-0.015	-0.034	46.993	-0.003	-0.003	0.000	0.000	0.000	0.000
562	A	571	LYS	1	0.957	0.987	49.243	0.056	0.056	0.000	0.000	0.000	0.000
563	A	572	THR	0	-0.061	-0.029	51.904	0.001	0.001	0.000	0.000	0.000	0.000
564	A	573	LEU	0	-0.008	-0.009	46.114	0.000	0.000	0.000	0.000	0.000	0.000
565	A	574	VAL	0	0.032	0.017	46.677	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	575	LYS	1	0.920	0.964	48.477	0.058	0.058	0.000	0.000	0.000	0.000
567	A	576	ILE	0	-0.019	-0.021	49.119	0.001	0.001	0.000	0.000	0.000	0.000
568	A	577	ARG	1	0.826	0.900	40.235	0.099	0.099	0.000	0.000	0.000	0.000
569	A	578	LYS	1	0.872	0.926	47.570	0.075	0.075	0.000	0.000	0.000	0.000
570	A	579	ASN	0	-0.034	-0.010	48.928	0.000	0.000	0.000	0.000	0.000	0.000
571	A	580	ASN	0	0.085	0.058	48.732	0.000	0.000	0.000	0.000	0.000	0.000
572	A	581	LYS	1	1.032	1.010	47.908	0.062	0.062	0.000	0.000	0.000	0.000
573	A	582	ALA	0	0.007	0.018	46.675	-0.004	-0.004	0.000	0.000	0.000	0.000
574	A	583	LEU	0	-0.058	-0.032	44.378	-0.004	-0.004	0.000	0.000	0.000	0.000
575	A	584	LEU	0	-0.049	-0.006	43.100	-0.005	-0.005	0.000	0.000	0.000	0.000
576	A	585	PHE	0	-0.010	-0.019	42.466	-0.004	-0.004	0.000	0.000	0.000	0.000
577	A	586	GLY	0	-0.008	0.012	42.406	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	587	ASN	0	0.026	0.030	40.087	-0.005	-0.005	0.000	0.000	0.000	0.000
579	A	588	PHE	0	0.035	-0.016	36.628	0.002	0.002	0.000	0.000	0.000	0.000
580	A	589	VAL	0	0.003	0.010	38.959	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	590	PRO	0	0.023	0.016	37.241	0.004	0.004	0.000	0.000	0.000	0.000
582	A	591	VAL	0	-0.053	-0.019	40.309	0.004	0.004	0.000	0.000	0.000	0.000
583	A	592	LYS	1	0.873	0.917	42.416	0.041	0.041	0.000	0.000	0.000	0.000
584	A	593	PHE	0	0.031	0.021	37.230	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	594	LYS	1	0.953	0.977	39.428	0.033	0.033	0.000	0.000	0.000	0.000
586	A	595	ARG	1	0.942	0.984	39.385	0.038	0.038	0.000	0.000	0.000	0.000
587	A	596	LYS	1	0.921	0.943	39.065	0.044	0.044	0.000	0.000	0.000	0.000
588	A	597	PHE	0	0.013	0.009	41.359	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	598	MET	0	0.023	0.022	38.177	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	599	VAL	0	-0.016	0.007	42.213	0.001	0.001	0.000	0.000	0.000	0.000
591	A	600	TYR	0	0.007	-0.019	41.063	0.000	0.000	0.000	0.000	0.000	0.000
592	A	601	LYS	1	0.878	0.954	43.169	0.056	0.056	0.000	0.000	0.000	0.000
593	A	602	ARG	1	0.793	0.916	41.288	0.087	0.087	0.000	0.000	0.000	0.000
594	A	603	GLU	-1	-0.883	-0.969	44.099	-0.055	-0.055	0.000	0.000	0.000	0.000
595	A	604	HIS	0	0.043	0.013	45.002	-0.005	-0.005	0.000	0.000	0.000	0.000
596	A	605	MET	0	-0.032	-0.001	47.215	0.004	0.004	0.000	0.000	0.000	0.000
597	A	606	GLY	0	0.013	0.010	49.974	0.002	0.002	0.000	0.000	0.000	0.000
598	A	607	GLU	-1	-0.942	-0.956	50.697	-0.058	-0.058	0.000	0.000	0.000	0.000
599	A	608	ARG	1	0.913	0.942	48.820	0.044	0.044	0.000	0.000	0.000	0.000
600	A	609	THR	0	-0.005	-0.012	47.614	0.003	0.003	0.000	0.000	0.000	0.000
601	A	610	ILE	0	-0.083	-0.051	46.986	-0.003	-0.003	0.000	0.000	0.000	0.000
602	A	611	VAL	0	0.014	0.009	44.411	0.001	0.001	0.000	0.000	0.000	0.000
603	A	612	ALA	0	-0.019	0.000	45.140	0.000	0.000	0.000	0.000	0.000	0.000
604	A	613	ILE	0	0.017	0.000	41.841	0.000	0.000	0.000	0.000	0.000	0.000
605	A	614	ASN	0	-0.037	0.001	44.326	-0.001	-0.001	0.000	0.000	0.000	0.000
606	A	615	TYR	0	0.009	-0.005	39.623	0.001	0.001	0.000	0.000	0.000	0.000
607	A	616	SER	0	-0.041	-0.043	43.114	0.001	0.001	0.000	0.000	0.000	0.000
608	A	617	ASN	0	0.022	-0.018	45.601	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	618	SER	0	0.003	0.007	48.437	0.002	0.002	0.000	0.000	0.000	0.000
610	A	619	ARG	1	0.959	0.982	50.093	0.027	0.027	0.000	0.000	0.000	0.000
611	A	620	VAL	0	0.013	0.021	48.175	0.002	0.002	0.000	0.000	0.000	0.000
612	A	621	LYS	1	0.905	0.948	51.258	0.023	0.023	0.000	0.000	0.000	0.000
613	A	622	GLU	-1	-0.828	-0.919	48.036	-0.034	-0.034	0.000	0.000	0.000	0.000
614	A	623	LEU	0	0.006	-0.002	48.772	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	624	GLY	0	-0.002	0.008	52.702	0.000	0.000	0.000	0.000	0.000	0.000
616	A	625	ILE	0	0.018	0.024	52.964	0.001	0.001	0.000	0.000	0.000	0.000
617	A	626	THR	0	-0.053	-0.051	54.801	0.001	0.001	0.000	0.000	0.000	0.000
618	A	627	ILE	0	0.008	0.015	49.391	0.000	0.000	0.000	0.000	0.000	0.000
619	A	628	PRO	0	0.003	-0.017	51.936	0.001	0.001	0.000	0.000	0.000	0.000
620	A	629	GLU	-1	-0.900	-0.936	49.816	-0.039	-0.039	0.000	0.000	0.000	0.000
621	A	630	TYR	0	-0.039	-0.024	43.512	0.001	0.001	0.000	0.000	0.000	0.000
622	A	631	SER	0	-0.062	-0.035	47.802	0.000	0.000	0.000	0.000	0.000	0.000
623	A	632	GLY	0	0.054	0.030	47.535	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	633	VAL	0	-0.043	-0.032	48.215	0.002	0.002	0.000	0.000	0.000	0.000
625	A	634	ILE	0	-0.005	-0.007	47.943	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	635	ILE	0	-0.006	-0.010	50.457	0.002	0.002	0.000	0.000	0.000	0.000
627	A	636	ASN	0	0.020	0.016	51.248	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	637	GLU	-1	-0.829	-0.916	53.310	-0.050	-0.050	0.000	0.000	0.000	0.000
629	A	638	ASP	-1	-0.934	-0.962	56.422	-0.046	-0.046	0.000	0.000	0.000	0.000
630	A	639	LYS	1	0.933	0.963	56.385	0.046	0.046	0.000	0.000	0.000	0.000
631	A	640	VAL	0	0.039	0.035	54.965	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	641	LYS	1	0.913	0.956	53.387	0.050	0.050	0.000	0.000	0.000	0.000
633	A	642	LEU	0	-0.005	0.007	52.674	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	643	ILE	0	-0.016	-0.010	48.898	0.000	0.000	0.000	0.000	0.000	0.000
635	A	644	LYS	1	0.960	0.969	50.194	0.042	0.042	0.000	0.000	0.000	0.000
636	A	645	TYR	0	-0.038	-0.054	50.411	0.002	0.002	0.000	0.000	0.000	0.000

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