FMO DATABASE

FMODB ID: ZV3LN

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	OptHSide
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	-16583000.146225
FMO2-HF: Nuclear repulsion	16323435.857487
FMO2-HF: Total energy	-259564.288738
FMO2-MP2: Total energy	-260334.588071

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.
-18.861	-19.592	32.232	-15.472	-16.025	-0.068

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 : -0.003 / q_NPA : -0.011

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	0.890	0.938	2.798	-2.265	0.984	0.253	-1.202	-2.300	0.001
4	A	4	LEU	0	0.013	0.011	4.902	-0.189	-0.122	-0.001	-0.009	-0.057	0.000
5	A	5	VAL	0	-0.031	-0.018	6.699	0.195	0.195	0.000	0.000	0.000	0.000
6	A	6	SER	0	-0.041	-0.015	9.154	0.063	0.063	0.000	0.000	0.000	0.000
7	A	7	PHE	0	0.052	0.007	12.887	-0.058	-0.058	0.000	0.000	0.000	0.000
8	A	8	ARG	1	0.882	0.961	16.096	0.113	0.113	0.000	0.000	0.000	0.000
9	A	9	ASP	-1	-0.846	-0.925	18.923	-0.015	-0.015	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.039	-0.028	21.589	-0.012	-0.012	0.000	0.000	0.000	0.000
11	A	11	GLU	-1	-0.898	-0.945	23.572	-0.049	-0.049	0.000	0.000	0.000	0.000
12	A	12	ILE	0	-0.017	-0.007	24.771	0.001	0.001	0.000	0.000	0.000	0.000
13	A	13	PHE	0	0.031	-0.011	21.834	-0.005	-0.005	0.000	0.000	0.000	0.000
14	A	14	GLY	0	0.038	0.054	23.205	-0.002	-0.002	0.000	0.000	0.000	0.000
15	A	15	ARG	1	0.756	0.826	19.214	0.055	0.055	0.000	0.000	0.000	0.000
16	A	16	VAL	0	-0.051	-0.021	17.263	-0.018	-0.018	0.000	0.000	0.000	0.000
17	A	17	ALA	0	0.026	0.015	12.627	0.037	0.037	0.000	0.000	0.000	0.000
18	A	18	GLU	-1	-0.832	-0.904	11.648	-0.170	-0.170	0.000	0.000	0.000	0.000
19	A	19	VAL	0	-0.005	-0.020	7.283	0.057	0.057	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.841	-0.913	4.341	-0.383	-0.095	-0.001	-0.019	-0.268	0.000
21	A	21	PHE	0	0.017	0.012	4.641	-1.058	-0.874	-0.001	-0.082	-0.101	0.000
22	A	22	SER	0	-0.040	-0.040	2.465	-4.508	-2.336	1.045	-1.226	-1.990	-0.004
23	A	23	LEU	0	0.060	0.039	2.755	7.396	6.067	4.195	-1.009	-1.856	-0.005
24	A	24	ILE	0	-0.004	-0.005	4.830	-0.428	-0.355	-0.001	-0.023	-0.049	0.000
25	A	25	ARG	1	0.893	0.972	7.864	-0.077	-0.077	0.000	0.000	0.000	0.000
26	A	26	GLU	-1	-1.006	-1.004	10.869	-0.200	-0.200	0.000	0.000	0.000	0.000
27	A	27	GLY	0	0.019	0.018	13.130	-0.037	-0.037	0.000	0.000	0.000	0.000
28	A	28	SER	0	-0.142	-0.109	15.537	0.036	0.036	0.000	0.000	0.000	0.000
29	A	29	TYR	0	-0.082	-0.058	15.913	0.026	0.026	0.000	0.000	0.000	0.000
30	A	30	ALA	0	0.044	0.033	10.703	-0.020	-0.020	0.000	0.000	0.000	0.000
31	A	31	TYR	0	-0.095	-0.076	11.869	0.037	0.037	0.000	0.000	0.000	0.000
32	A	32	LEU	0	0.020	0.020	7.273	-0.035	-0.035	0.000	0.000	0.000	0.000
33	A	33	LEU	0	-0.087	-0.032	9.620	0.080	0.080	0.000	0.000	0.000	0.000
34	A	34	GLY	0	0.135	0.036	10.164	-0.163	-0.163	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.792	-0.868	12.459	-0.424	-0.424	0.000	0.000	0.000	0.000
36	A	36	PHE	0	0.001	0.007	10.194	0.067	0.067	0.000	0.000	0.000	0.000
37	A	37	ASN	0	-0.032	-0.026	14.225	0.011	0.011	0.000	0.000	0.000	0.000
38	A	38	ALA	0	-0.013	0.002	17.293	0.015	0.015	0.000	0.000	0.000	0.000
39	A	39	PHE	0	-0.021	-0.005	11.572	0.008	0.008	0.000	0.000	0.000	0.000
40	A	40	ASN	0	-0.032	-0.023	15.387	0.043	0.043	0.000	0.000	0.000	0.000
41	A	41	GLU	-1	-0.738	-0.849	15.540	-0.237	-0.237	0.000	0.000	0.000	0.000
42	A	42	GLY	0	-0.006	-0.017	16.842	0.012	0.012	0.000	0.000	0.000	0.000
43	A	43	SER	0	-0.036	-0.014	17.206	0.004	0.004	0.000	0.000	0.000	0.000
44	A	44	PHE	0	0.030	-0.003	13.052	0.016	0.016	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.835	0.902	13.119	0.073	0.073	0.000	0.000	0.000	0.000
46	A	46	MET	0	-0.060	-0.011	6.456	-0.060	-0.060	0.000	0.000	0.000	0.000
47	A	47	GLU	-1	-0.816	-0.900	11.942	-0.051	-0.051	0.000	0.000	0.000	0.000
48	A	48	GLN	0	-0.040	-0.019	11.129	-0.005	-0.005	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.846	-0.884	7.863	0.110	0.110	0.000	0.000	0.000	0.000
50	A	50	GLY	0	0.040	-0.015	10.136	0.002	0.002	0.000	0.000	0.000	0.000
51	A	51	LYS	1	0.915	0.965	9.705	-0.223	-0.223	0.000	0.000	0.000	0.000
52	A	52	ASN	0	0.046	-0.024	4.935	-0.094	-0.094	0.000	0.000	0.000	0.000
53	A	53	TRP	0	-0.004	0.023	8.457	-0.047	-0.047	0.000	0.000	0.000	0.000
54	A	54	LYS	1	0.830	0.903	5.029	0.299	0.299	0.000	0.000	0.000	0.000
55	A	55	ILE	0	-0.005	0.005	7.899	-0.002	-0.002	0.000	0.000	0.000	0.000
56	A	56	LYS	1	0.849	0.919	8.335	-0.055	-0.055	0.000	0.000	0.000	0.000
57	A	57	ILE	0	-0.003	0.005	10.306	0.065	0.065	0.000	0.000	0.000	0.000
58	A	58	ALA	0	-0.011	0.002	12.158	-0.021	-0.021	0.000	0.000	0.000	0.000
59	A	59	LEU	0	0.000	-0.008	11.849	-0.008	-0.008	0.000	0.000	0.000	0.000
60	A	60	PRO	0	0.009	0.012	15.312	0.028	0.028	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.694	-0.813	15.847	-0.117	-0.117	0.000	0.000	0.000	0.000
62	A	62	GLY	0	-0.019	-0.013	15.623	0.020	0.020	0.000	0.000	0.000	0.000
63	A	63	VAL	0	-0.054	-0.023	13.230	-0.036	-0.036	0.000	0.000	0.000	0.000
64	A	64	TRP	0	-0.033	-0.020	11.691	0.039	0.039	0.000	0.000	0.000	0.000
65	A	65	HIS	0	-0.010	-0.018	11.188	-0.107	-0.107	0.000	0.000	0.000	0.000
66	A	66	TYR	0	-0.078	-0.082	3.034	-0.954	0.877	0.014	-1.051	-0.794	0.004
67	A	67	ALA	0	-0.006	0.000	7.464	-0.115	-0.115	0.000	0.000	0.000	0.000
68	A	68	PHE	0	0.038	0.004	3.092	-0.150	0.255	0.030	-0.119	-0.315	0.001
69	A	69	SER	0	-0.025	-0.016	8.774	-0.004	-0.004	0.000	0.000	0.000	0.000
70	A	70	ILE	0	0.012	-0.006	9.264	0.057	0.057	0.000	0.000	0.000	0.000
71	A	71	ASP	-1	-0.792	-0.874	12.955	-0.141	-0.141	0.000	0.000	0.000	0.000
72	A	72	GLY	0	-0.015	0.008	15.840	0.010	0.010	0.000	0.000	0.000	0.000
73	A	73	LYN	0	-0.042	-0.019	15.101	-0.010	-0.010	0.000	0.000	0.000	0.000
74	A	74	PHE	0	-0.032	-0.022	11.943	-0.026	-0.026	0.000	0.000	0.000	0.000
75	A	75	VAL	0	0.010	-0.006	8.460	0.023	0.023	0.000	0.000	0.000	0.000
76	A	76	LEU	0	-0.010	0.006	7.912	-0.062	-0.062	0.000	0.000	0.000	0.000
77	A	77	ASP	-1	-0.771	-0.860	1.754	-10.398	-23.133	24.191	-7.228	-4.229	-0.047
78	A	78	PRO	0	-0.040	-0.015	3.768	0.047	0.259	0.000	-0.029	-0.182	0.000
79	A	79	ASP	-1	-0.881	-0.940	2.130	-8.970	-4.559	2.502	-3.378	-3.536	-0.018
80	A	80	ASN	0	-0.054	-0.029	3.429	1.581	1.987	0.007	-0.094	-0.318	0.000
81	A	81	PRO	0	0.016	0.009	4.883	0.179	0.214	-0.001	-0.003	-0.030	0.000
82	A	82	GLU	-1	-0.833	-0.896	7.841	-0.338	-0.338	0.000	0.000	0.000	0.000
83	A	83	ARG	1	0.865	0.930	7.015	1.298	1.298	0.000	0.000	0.000	0.000
84	A	84	ARG	1	0.827	0.862	11.221	0.573	0.573	0.000	0.000	0.000	0.000
85	A	85	VAL	0	-0.030	0.000	14.200	-0.042	-0.042	0.000	0.000	0.000	0.000
86	A	86	TYR	0	-0.040	-0.009	15.348	0.036	0.036	0.000	0.000	0.000	0.000
87	A	87	THR	0	-0.043	-0.038	17.209	0.019	0.019	0.000	0.000	0.000	0.000
88	A	88	ARG	1	0.820	0.895	20.405	0.261	0.261	0.000	0.000	0.000	0.000
89	A	89	LYS	1	0.859	0.912	22.526	0.179	0.179	0.000	0.000	0.000	0.000
90	A	90	GLY	0	-0.038	-0.019	25.654	0.009	0.009	0.000	0.000	0.000	0.000
91	A	91	TYR	0	-0.034	-0.058	18.686	0.004	0.004	0.000	0.000	0.000	0.000
92	A	92	LYS	1	0.792	0.874	23.404	0.143	0.143	0.000	0.000	0.000	0.000
93	A	93	PHE	0	0.019	0.035	14.879	-0.007	-0.007	0.000	0.000	0.000	0.000
94	A	94	HIS	0	0.028	-0.012	20.136	0.003	0.003	0.000	0.000	0.000	0.000
95	A	95	ARG	1	0.920	0.978	15.021	0.470	0.470	0.000	0.000	0.000	0.000
96	A	96	GLU	-1	-0.904	-0.952	12.525	-0.665	-0.665	0.000	0.000	0.000	0.000
97	A	97	VAL	0	-0.068	-0.034	10.964	-0.016	-0.016	0.000	0.000	0.000	0.000
98	A	98	ASN	0	0.030	0.025	6.461	0.030	0.030	0.000	0.000	0.000	0.000
99	A	99	VAL	0	0.018	0.013	8.489	0.154	0.154	0.000	0.000	0.000	0.000
100	A	100	ALA	0	0.027	0.011	7.713	-0.247	-0.247	0.000	0.000	0.000	0.000
101	A	101	ARG	1	0.770	0.853	8.816	0.558	0.558	0.000	0.000	0.000	0.000
102	A	102	ILE	0	-0.025	0.000	9.124	0.054	0.054	0.000	0.000	0.000	0.000
103	A	103	VAL	0	0.015	-0.006	12.336	0.025	0.025	0.000	0.000	0.000	0.000
104	A	104	LYS	1	0.844	0.924	14.222	-0.026	-0.026	0.000	0.000	0.000	0.000
105	A	105	SER	0	0.006	-0.012	15.493	-0.019	-0.019	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.852	-0.904	17.039	0.054	0.054	0.000	0.000	0.000	0.000
107	A	107	ASP	-1	-0.859	-0.910	19.683	-0.061	-0.061	0.000	0.000	0.000	0.000
108	A	108	LEU	0	0.033	0.012	21.417	0.002	0.002	0.000	0.000	0.000	0.000
109	A	109	VAL	0	0.013	0.003	24.649	-0.012	-0.012	0.000	0.000	0.000	0.000
110	A	110	PHE	0	-0.037	-0.017	23.801	0.009	0.009	0.000	0.000	0.000	0.000
111	A	111	HIS	0	0.043	0.019	26.000	-0.005	-0.005	0.000	0.000	0.000	0.000
112	A	112	THR	0	-0.019	-0.002	26.593	0.010	0.010	0.000	0.000	0.000	0.000
113	A	113	PRO	0	0.004	0.010	28.538	-0.007	-0.007	0.000	0.000	0.000	0.000
114	A	114	SER	0	0.003	-0.009	27.684	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.050	-0.023	28.903	0.000	0.000	0.000	0.000	0.000	0.000
116	A	116	LEU	0	0.014	-0.006	25.125	0.002	0.002	0.000	0.000	0.000	0.000
117	A	117	TYR	0	-0.042	-0.014	23.334	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.023	0.003	30.023	0.006	0.006	0.000	0.000	0.000	0.000
119	A	119	TYR	0	0.000	0.016	32.587	0.000	0.000	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.921	-0.986	35.177	-0.038	-0.038	0.000	0.000	0.000	0.000
121	A	121	ILE	0	-0.002	-0.006	36.917	-0.003	-0.003	0.000	0.000	0.000	0.000
122	A	122	PHE	0	-0.017	-0.009	39.675	0.001	0.001	0.000	0.000	0.000	0.000
123	A	123	GLY	0	0.061	0.042	43.259	0.001	0.001	0.000	0.000	0.000	0.000
124	A	124	ARG	1	0.845	0.912	42.086	0.039	0.039	0.000	0.000	0.000	0.000
125	A	125	VAL	0	0.061	0.043	37.938	-0.002	-0.002	0.000	0.000	0.000	0.000
126	A	126	HIS	0	-0.036	-0.003	35.405	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	127	VAL	0	0.008	0.008	34.158	0.000	0.000	0.000	0.000	0.000	0.000
128	A	128	LEU	0	-0.015	-0.006	27.800	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	129	LEU	0	0.003	0.005	29.549	0.005	0.005	0.000	0.000	0.000	0.000
130	A	130	ARG	1	0.814	0.908	20.436	0.087	0.087	0.000	0.000	0.000	0.000
131	A	131	THR	0	0.030	0.001	25.949	0.011	0.011	0.000	0.000	0.000	0.000
132	A	132	GLN	0	0.011	0.007	21.932	-0.016	-0.016	0.000	0.000	0.000	0.000
133	A	133	LYS	1	0.860	0.909	23.107	0.162	0.162	0.000	0.000	0.000	0.000
134	A	134	GLY	0	-0.026	-0.018	25.060	0.003	0.003	0.000	0.000	0.000	0.000
135	A	135	VAL	0	-0.002	0.013	25.822	0.007	0.007	0.000	0.000	0.000	0.000
136	A	136	ILE	0	-0.020	-0.015	28.904	0.008	0.008	0.000	0.000	0.000	0.000
137	A	137	LYS	1	0.939	0.962	31.340	0.028	0.028	0.000	0.000	0.000	0.000
138	A	138	GLY	0	-0.037	-0.029	34.800	-0.004	-0.004	0.000	0.000	0.000	0.000
139	A	139	ALA	0	0.020	0.014	33.955	0.003	0.003	0.000	0.000	0.000	0.000
140	A	140	THR	0	-0.020	-0.010	36.118	-0.004	-0.004	0.000	0.000	0.000	0.000
141	A	141	PHE	0	0.020	0.007	36.891	0.002	0.002	0.000	0.000	0.000	0.000
142	A	142	LEU	0	-0.014	-0.013	38.858	0.000	0.000	0.000	0.000	0.000	0.000
143	A	143	GLY	0	0.046	0.020	40.835	0.001	0.001	0.000	0.000	0.000	0.000
144	A	144	GLU	-1	-0.957	-0.982	42.439	-0.010	-0.010	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.802	0.900	45.084	0.024	0.024	0.000	0.000	0.000	0.000
146	A	146	HIS	0	0.050	0.027	43.576	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	147	VAL	0	-0.025	-0.015	41.429	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	148	PRO	0	-0.002	0.003	40.634	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	149	MET	0	-0.035	0.002	33.651	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	150	ARG	1	0.776	0.868	36.079	0.070	0.070	0.000	0.000	0.000	0.000
151	A	151	LYS	1	0.876	0.946	29.703	0.085	0.085	0.000	0.000	0.000	0.000
152	A	152	LYS	1	0.777	0.887	30.791	0.087	0.087	0.000	0.000	0.000	0.000
153	A	153	ALA	0	-0.003	-0.004	28.256	-0.004	-0.004	0.000	0.000	0.000	0.000
154	A	154	SER	0	-0.026	-0.050	26.134	0.011	0.011	0.000	0.000	0.000	0.000
155	A	155	ASP	-1	-0.786	-0.848	20.471	-0.227	-0.227	0.000	0.000	0.000	0.000
156	A	156	GLU	-1	-0.800	-0.870	16.214	-0.345	-0.345	0.000	0.000	0.000	0.000
157	A	157	LEU	0	0.009	-0.004	15.483	0.010	0.010	0.000	0.000	0.000	0.000
158	A	158	PHE	0	-0.008	-0.009	18.766	0.019	0.019	0.000	0.000	0.000	0.000
159	A	159	ASP	-1	-0.783	-0.833	23.289	-0.101	-0.101	0.000	0.000	0.000	0.000
160	A	160	TYR	0	-0.032	-0.046	22.511	0.007	0.007	0.000	0.000	0.000	0.000
161	A	161	PHE	0	0.028	0.008	28.805	0.002	0.002	0.000	0.000	0.000	0.000
162	A	162	GLU	-1	-0.787	-0.875	32.120	-0.074	-0.074	0.000	0.000	0.000	0.000
163	A	163	VAL	0	0.020	0.002	34.486	0.003	0.003	0.000	0.000	0.000	0.000
164	A	164	ILE	0	-0.041	-0.009	37.641	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	165	VAL	0	0.014	0.000	40.246	0.003	0.003	0.000	0.000	0.000	0.000
166	A	166	GLU	-1	-0.852	-0.931	42.514	-0.028	-0.028	0.000	0.000	0.000	0.000
167	A	167	GLY	0	0.084	0.030	43.303	0.001	0.001	0.000	0.000	0.000	0.000
168	A	168	GLY	0	-0.057	0.001	44.003	0.000	0.000	0.000	0.000	0.000	0.000
169	A	169	ASP	-1	-0.890	-0.943	44.860	-0.019	-0.019	0.000	0.000	0.000	0.000
170	A	170	LYS	1	0.871	0.896	43.233	0.021	0.021	0.000	0.000	0.000	0.000
171	A	171	ARG	1	0.904	0.956	40.606	0.006	0.006	0.000	0.000	0.000	0.000
172	A	172	LEU	0	0.071	0.043	39.281	0.001	0.001	0.000	0.000	0.000	0.000
173	A	173	ASN	0	0.002	-0.004	39.724	0.002	0.002	0.000	0.000	0.000	0.000
174	A	174	TYR	0	-0.011	-0.036	33.502	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	175	SER	0	0.012	0.009	35.998	0.001	0.001	0.000	0.000	0.000	0.000
176	A	176	PHE	0	0.008	-0.001	32.924	-0.004	-0.004	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.801	-0.871	36.041	-0.005	-0.005	0.000	0.000	0.000	0.000
178	A	178	VAL	0	-0.013	-0.010	31.582	-0.005	-0.005	0.000	0.000	0.000	0.000
179	A	179	LEU	0	-0.002	0.002	34.959	0.004	0.004	0.000	0.000	0.000	0.000
180	A	180	THR	0	0.015	-0.022	31.865	-0.005	-0.005	0.000	0.000	0.000	0.000
181	A	181	MET	0	-0.060	-0.023	32.157	0.002	0.002	0.000	0.000	0.000	0.000
182	A	182	GLU	-1	-0.873	-0.909	31.868	-0.008	-0.008	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.033	-0.013	35.624	0.002	0.002	0.000	0.000	0.000	0.000
184	A	184	ALA	0	-0.026	0.000	34.133	0.003	0.003	0.000	0.000	0.000	0.000
185	A	185	LYS	1	0.826	0.886	36.131	0.003	0.003	0.000	0.000	0.000	0.000
186	A	186	PHE	0	-0.018	-0.005	30.295	0.004	0.004	0.000	0.000	0.000	0.000
187	A	187	GLU	-1	-0.832	-0.884	35.808	-0.004	-0.004	0.000	0.000	0.000	0.000
188	A	188	TYR	0	-0.041	-0.029	26.510	0.003	0.003	0.000	0.000	0.000	0.000
189	A	189	GLY	0	0.019	-0.009	32.562	-0.004	-0.004	0.000	0.000	0.000	0.000
190	A	190	GLN	0	0.010	0.004	33.254	-0.003	-0.003	0.000	0.000	0.000	0.000
191	A	191	PHE	0	-0.014	-0.010	30.547	0.002	0.002	0.000	0.000	0.000	0.000
192	A	192	LYS	1	0.924	0.950	35.863	0.002	0.002	0.000	0.000	0.000	0.000
193	A	193	ALA	0	-0.033	-0.017	35.288	0.001	0.001	0.000	0.000	0.000	0.000
194	A	194	ARG	1	0.931	0.983	37.378	0.026	0.026	0.000	0.000	0.000	0.000
195	A	195	PRO	0	0.005	0.010	36.282	0.000	0.000	0.000	0.000	0.000	0.000
196	A	196	PHE	0	-0.010	0.006	31.298	0.001	0.001	0.000	0.000	0.000	0.000
197	A	197	SER	0	0.013	-0.009	34.812	0.000	0.000	0.000	0.000	0.000	0.000
198	A	198	ILE	0	0.000	0.006	32.134	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.866	-0.927	35.304	-0.052	-0.052	0.000	0.000	0.000	0.000
200	A	200	PHE	0	-0.004	-0.029	36.178	-0.006	-0.006	0.000	0.000	0.000	0.000
201	A	201	PRO	0	0.050	0.052	38.359	0.003	0.003	0.000	0.000	0.000	0.000
202	A	202	THR	0	0.002	-0.017	41.387	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	203	TRP	0	-0.048	-0.027	41.121	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.005	-0.002	38.542	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	205	ILE	0	0.012	0.001	39.392	-0.002	-0.002	0.000	0.000	0.000	0.000
206	A	206	ASP	-1	-0.899	-0.922	42.147	-0.050	-0.050	0.000	0.000	0.000	0.000
207	A	207	ARG	1	0.718	0.837	42.415	0.052	0.052	0.000	0.000	0.000	0.000
208	A	208	VAL	0	-0.014	-0.001	42.812	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	209	PHE	0	0.004	-0.020	39.796	0.002	0.002	0.000	0.000	0.000	0.000
210	A	210	TYR	0	-0.041	-0.046	41.861	-0.002	-0.002	0.000	0.000	0.000	0.000
211	A	211	GLN	0	-0.003	-0.012	35.590	0.000	0.000	0.000	0.000	0.000	0.000
212	A	212	ILE	0	0.020	0.002	40.609	0.001	0.001	0.000	0.000	0.000	0.000
213	A	213	MET	0	0.035	0.024	38.005	-0.002	-0.002	0.000	0.000	0.000	0.000
214	A	214	PRO	0	-0.016	-0.020	41.778	0.002	0.002	0.000	0.000	0.000	0.000
215	A	215	ASP	-1	-0.844	-0.913	43.118	-0.063	-0.063	0.000	0.000	0.000	0.000
216	A	216	LYS	1	0.854	0.917	42.196	0.071	0.071	0.000	0.000	0.000	0.000
217	A	217	PHE	0	0.024	0.031	45.532	0.002	0.002	0.000	0.000	0.000	0.000
218	A	218	ALA	0	0.073	0.028	47.428	0.002	0.002	0.000	0.000	0.000	0.000
219	A	219	ARG	1	0.887	0.962	50.869	0.045	0.045	0.000	0.000	0.000	0.000
220	A	220	SER	0	-0.039	-0.041	52.758	0.002	0.002	0.000	0.000	0.000	0.000
221	A	221	ARG	1	0.893	0.931	55.344	0.041	0.041	0.000	0.000	0.000	0.000
222	A	222	LYS	1	0.900	0.960	58.390	0.034	0.034	0.000	0.000	0.000	0.000
223	A	223	ILE	0	0.026	0.006	58.394	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	224	GLN	0	-0.031	-0.004	56.240	0.001	0.001	0.000	0.000	0.000	0.000
225	A	234	TRP	0	0.038	0.010	46.354	0.000	0.000	0.000	0.000	0.000	0.000
226	A	235	GLY	0	-0.032	-0.015	47.261	-0.001	-0.001	0.000	0.000	0.000	0.000
227	A	236	GLY	0	-0.019	0.013	48.094	0.003	0.003	0.000	0.000	0.000	0.000
228	A	237	ASP	-1	-0.775	-0.905	47.976	-0.047	-0.047	0.000	0.000	0.000	0.000
229	A	238	LEU	0	0.016	-0.014	45.636	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	239	ILE	0	-0.045	-0.016	49.520	0.001	0.001	0.000	0.000	0.000	0.000
231	A	240	GLY	0	0.045	0.020	52.327	0.001	0.001	0.000	0.000	0.000	0.000
232	A	241	ILE	0	-0.035	-0.021	46.332	0.000	0.000	0.000	0.000	0.000	0.000
233	A	242	LYS	1	0.874	0.938	50.591	0.037	0.037	0.000	0.000	0.000	0.000
234	A	243	GLU	-1	-0.835	-0.894	53.317	-0.039	-0.039	0.000	0.000	0.000	0.000
235	A	244	LYS	1	0.895	0.975	52.296	0.044	0.044	0.000	0.000	0.000	0.000
236	A	245	ILE	0	0.013	0.009	52.091	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	246	ASP	-1	-0.857	-0.929	53.849	-0.041	-0.041	0.000	0.000	0.000	0.000
238	A	247	HIS	0	-0.025	-0.018	50.473	0.002	0.002	0.000	0.000	0.000	0.000
239	A	248	LEU	0	-0.021	-0.008	48.347	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	249	VAL	0	0.012	0.005	51.433	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	250	ASN	0	-0.087	-0.049	53.772	0.001	0.001	0.000	0.000	0.000	0.000
242	A	251	LEU	0	-0.064	-0.020	47.701	0.000	0.000	0.000	0.000	0.000	0.000
243	A	252	GLY	0	0.022	0.014	51.234	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	253	ILE	0	-0.048	-0.008	45.928	0.000	0.000	0.000	0.000	0.000	0.000
245	A	254	ASN	0	0.020	-0.001	46.363	0.000	0.000	0.000	0.000	0.000	0.000
246	A	255	ALA	0	0.032	0.014	42.578	0.001	0.001	0.000	0.000	0.000	0.000
247	A	256	ILE	0	-0.004	0.005	43.113	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	257	TYR	0	-0.052	-0.038	34.474	0.000	0.000	0.000	0.000	0.000	0.000
249	A	258	LEU	0	-0.028	-0.012	39.865	0.000	0.000	0.000	0.000	0.000	0.000
250	A	259	THR	0	0.051	0.021	36.792	-0.003	-0.003	0.000	0.000	0.000	0.000
251	A	260	PRO	0	-0.059	-0.020	35.331	0.005	0.005	0.000	0.000	0.000	0.000
252	A	261	ILE	0	0.044	0.021	38.167	0.002	0.002	0.000	0.000	0.000	0.000
253	A	262	PHE	0	-0.007	0.007	37.015	0.004	0.004	0.000	0.000	0.000	0.000
254	A	263	SER	0	0.010	0.008	41.105	0.000	0.000	0.000	0.000	0.000	0.000
255	A	264	SER	0	0.022	0.023	38.352	0.000	0.000	0.000	0.000	0.000	0.000
256	A	265	LEU	0	-0.013	0.016	37.657	0.003	0.003	0.000	0.000	0.000	0.000
257	A	266	THR	0	-0.009	-0.028	37.997	0.002	0.002	0.000	0.000	0.000	0.000
258	A	267	TYR	0	-0.075	-0.053	40.040	0.001	0.001	0.000	0.000	0.000	0.000
259	A	268	HIS	0	0.009	0.008	36.451	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	269	GLY	0	0.027	0.014	37.881	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	270	TYR	0	-0.005	-0.012	31.923	0.003	0.003	0.000	0.000	0.000	0.000
262	A	271	ASP	-1	-0.792	-0.876	32.851	-0.081	-0.081	0.000	0.000	0.000	0.000
263	A	272	ILE	0	0.003	-0.004	34.564	0.006	0.006	0.000	0.000	0.000	0.000
264	A	273	VAL	0	-0.015	-0.030	36.284	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	274	ASP	-1	-0.820	-0.902	39.003	-0.044	-0.044	0.000	0.000	0.000	0.000
266	A	275	TYR	0	-0.008	-0.020	32.719	0.001	0.001	0.000	0.000	0.000	0.000
267	A	276	PHE	0	-0.003	-0.001	39.377	0.000	0.000	0.000	0.000	0.000	0.000
268	A	277	HIS	1	0.828	0.891	42.801	0.044	0.044	0.000	0.000	0.000	0.000
269	A	278	VAL	0	0.011	0.015	43.458	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	279	ALA	0	-0.013	-0.017	43.308	0.002	0.002	0.000	0.000	0.000	0.000
271	A	280	ARG	1	0.957	0.966	45.254	0.041	0.041	0.000	0.000	0.000	0.000
272	A	281	ARG	1	0.850	0.912	41.860	0.061	0.061	0.000	0.000	0.000	0.000
273	A	282	LEU	0	0.006	0.018	43.318	0.000	0.000	0.000	0.000	0.000	0.000
274	A	283	GLY	0	0.077	0.035	48.003	0.000	0.000	0.000	0.000	0.000	0.000
275	A	284	GLY	0	-0.050	-0.018	49.259	0.002	0.002	0.000	0.000	0.000	0.000
276	A	285	ASP	-1	-0.819	-0.942	47.833	-0.043	-0.043	0.000	0.000	0.000	0.000
277	A	286	ARG	1	0.973	0.985	49.890	0.032	0.032	0.000	0.000	0.000	0.000
278	A	287	ALA	0	0.061	0.044	50.939	0.000	0.000	0.000	0.000	0.000	0.000
279	A	288	PHE	0	0.045	0.010	44.365	0.000	0.000	0.000	0.000	0.000	0.000
280	A	289	VAL	0	-0.022	-0.004	49.367	0.000	0.000	0.000	0.000	0.000	0.000
281	A	290	ASP	-1	-0.885	-0.950	51.564	-0.035	-0.035	0.000	0.000	0.000	0.000
282	A	291	LEU	0	-0.040	-0.030	47.818	0.000	0.000	0.000	0.000	0.000	0.000
283	A	292	LEU	0	0.008	0.004	46.296	0.000	0.000	0.000	0.000	0.000	0.000
284	A	293	SER	0	-0.025	-0.008	50.243	0.000	0.000	0.000	0.000	0.000	0.000
285	A	294	GLU	-1	-0.816	-0.894	53.576	-0.034	-0.034	0.000	0.000	0.000	0.000
286	A	295	LEU	0	0.008	-0.006	47.853	0.000	0.000	0.000	0.000	0.000	0.000
287	A	296	LYS	1	0.847	0.921	47.080	0.045	0.045	0.000	0.000	0.000	0.000
288	A	297	ARG	1	0.861	0.939	52.313	0.034	0.034	0.000	0.000	0.000	0.000
289	A	298	PHE	0	-0.050	-0.022	53.485	0.001	0.001	0.000	0.000	0.000	0.000
290	A	299	ASP	-1	-0.826	-0.882	50.373	-0.044	-0.044	0.000	0.000	0.000	0.000
291	A	300	ILE	0	-0.030	-0.004	47.311	-0.002	-0.002	0.000	0.000	0.000	0.000
292	A	301	LYS	1	0.829	0.914	44.060	0.047	0.047	0.000	0.000	0.000	0.000
293	A	302	VAL	0	0.001	-0.009	43.104	-0.002	-0.002	0.000	0.000	0.000	0.000
294	A	303	ILE	0	-0.035	0.008	36.930	0.001	0.001	0.000	0.000	0.000	0.000
295	A	304	LEU	0	-0.001	-0.004	38.806	0.000	0.000	0.000	0.000	0.000	0.000
296	A	305	ASP	-1	-0.709	-0.836	33.286	-0.102	-0.102	0.000	0.000	0.000	0.000
297	A	306	GLY	0	-0.020	-0.005	33.473	0.004	0.004	0.000	0.000	0.000	0.000
298	A	307	VAL	0	0.000	0.008	30.643	-0.006	-0.006	0.000	0.000	0.000	0.000
299	A	308	PHE	0	0.039	0.004	29.381	0.006	0.006	0.000	0.000	0.000	0.000
300	A	309	HIS	0	0.046	0.042	22.884	-0.007	-0.007	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.044	0.021	26.033	-0.007	-0.007	0.000	0.000	0.000	0.000
302	A	311	THR	0	0.022	0.035	28.478	0.004	0.004	0.000	0.000	0.000	0.000
303	A	312	SER	0	0.007	0.006	31.511	-0.004	-0.004	0.000	0.000	0.000	0.000
304	A	313	PHE	0	0.016	0.004	32.347	0.004	0.004	0.000	0.000	0.000	0.000
305	A	314	PHE	0	0.004	-0.022	33.951	0.004	0.004	0.000	0.000	0.000	0.000
306	A	315	HIS	0	0.047	0.050	35.442	0.004	0.004	0.000	0.000	0.000	0.000
307	A	316	PRO	0	0.015	-0.002	37.294	0.000	0.000	0.000	0.000	0.000	0.000
308	A	317	TYR	0	0.004	0.002	34.781	0.003	0.003	0.000	0.000	0.000	0.000
309	A	318	PHE	0	0.039	0.023	29.654	0.002	0.002	0.000	0.000	0.000	0.000
310	A	319	GLN	0	0.002	0.000	34.487	0.005	0.005	0.000	0.000	0.000	0.000
311	A	320	ASP	-1	-0.772	-0.852	37.669	-0.032	-0.032	0.000	0.000	0.000	0.000
312	A	321	VAL	0	0.010	0.002	31.860	0.003	0.003	0.000	0.000	0.000	0.000
313	A	322	VAL	0	-0.047	-0.019	34.361	0.001	0.001	0.000	0.000	0.000	0.000
314	A	323	ARG	1	0.812	0.897	36.096	0.043	0.043	0.000	0.000	0.000	0.000
315	A	324	LYS	1	0.825	0.900	38.140	0.032	0.032	0.000	0.000	0.000	0.000
316	A	325	GLY	0	0.022	0.041	34.448	0.002	0.002	0.000	0.000	0.000	0.000
317	A	326	GLU	-1	-0.871	-0.962	32.777	-0.027	-0.027	0.000	0.000	0.000	0.000
318	A	327	ASN	0	-0.024	-0.026	35.042	0.002	0.002	0.000	0.000	0.000	0.000
319	A	328	SER	0	0.037	0.032	35.440	0.000	0.000	0.000	0.000	0.000	0.000
320	A	329	SER	0	-0.067	-0.044	35.463	0.000	0.000	0.000	0.000	0.000	0.000
321	A	330	PHE	0	0.002	-0.011	34.199	0.000	0.000	0.000	0.000	0.000	0.000
322	A	331	LYS	1	0.912	0.969	30.847	0.023	0.023	0.000	0.000	0.000	0.000
323	A	332	ASN	0	-0.030	-0.011	27.455	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	333	PHE	0	0.020	0.021	28.695	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	334	TYR	0	0.025	-0.010	27.393	-0.003	-0.003	0.000	0.000	0.000	0.000
326	A	335	ARG	1	0.835	0.919	19.905	0.111	0.111	0.000	0.000	0.000	0.000
327	A	336	ILE	0	-0.018	-0.001	24.462	-0.007	-0.007	0.000	0.000	0.000	0.000
328	A	337	ILE	0	0.002	0.011	21.434	0.004	0.004	0.000	0.000	0.000	0.000
329	A	338	LYS	1	0.909	0.939	23.830	0.075	0.075	0.000	0.000	0.000	0.000
330	A	339	PHE	0	0.102	0.027	26.732	-0.004	-0.004	0.000	0.000	0.000	0.000
331	A	340	PRO	0	-0.054	0.043	29.607	0.000	0.000	0.000	0.000	0.000	0.000
332	A	341	VAL	0	0.034	-0.038	30.089	-0.004	-0.004	0.000	0.000	0.000	0.000
333	A	342	VAL	0	-0.009	0.010	30.446	-0.006	-0.006	0.000	0.000	0.000	0.000
334	A	343	SER	0	0.030	0.004	32.720	0.005	0.005	0.000	0.000	0.000	0.000
335	A	344	LYS	1	1.021	0.992	32.585	0.042	0.042	0.000	0.000	0.000	0.000
336	A	345	GLU	-1	-0.858	-0.890	37.171	-0.037	-0.037	0.000	0.000	0.000	0.000
337	A	346	PHE	0	-0.004	-0.027	35.770	-0.002	-0.002	0.000	0.000	0.000	0.000
338	A	347	LEU	0	0.048	0.017	32.608	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	348	GLN	0	0.075	0.015	36.399	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	349	ILE	0	0.021	0.019	39.578	0.000	0.000	0.000	0.000	0.000	0.000
341	A	350	LEU	0	-0.063	-0.039	36.629	0.000	0.000	0.000	0.000	0.000	0.000
342	A	351	HIS	0	0.027	0.017	37.984	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	352	SER	0	-0.015	-0.008	40.398	0.001	0.001	0.000	0.000	0.000	0.000
344	A	353	LYS	1	0.921	0.975	43.472	0.046	0.046	0.000	0.000	0.000	0.000
345	A	354	SER	0	-0.026	-0.006	45.241	0.000	0.000	0.000	0.000	0.000	0.000
346	A	355	SER	0	0.016	-0.018	42.419	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	356	TRP	0	-0.024	-0.022	43.505	-0.003	-0.003	0.000	0.000	0.000	0.000
348	A	357	GLU	-1	-0.832	-0.914	39.163	-0.067	-0.067	0.000	0.000	0.000	0.000
349	A	358	GLU	-1	-0.905	-0.938	38.882	-0.073	-0.073	0.000	0.000	0.000	0.000
350	A	359	LYS	1	0.856	0.938	38.376	0.055	0.055	0.000	0.000	0.000	0.000
351	A	360	TYR	0	-0.023	-0.008	30.937	-0.005	-0.005	0.000	0.000	0.000	0.000
352	A	361	LYS	1	0.980	0.971	31.761	0.101	0.101	0.000	0.000	0.000	0.000
353	A	362	LYS	1	0.969	1.007	33.453	0.068	0.068	0.000	0.000	0.000	0.000
354	A	363	ILE	0	0.016	0.000	32.485	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	364	LYS	1	0.876	0.949	27.459	0.129	0.129	0.000	0.000	0.000	0.000
356	A	365	SER	0	-0.030	-0.038	29.080	-0.007	-0.007	0.000	0.000	0.000	0.000
357	A	366	LEU	0	-0.114	-0.030	29.801	0.000	0.000	0.000	0.000	0.000	0.000
358	A	367	GLY	0	0.036	0.042	27.494	0.000	0.000	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.071	-0.048	25.199	0.010	0.010	0.000	0.000	0.000	0.000
360	A	369	ASN	0	-0.035	-0.011	25.970	-0.006	-0.006	0.000	0.000	0.000	0.000
361	A	370	TYR	0	-0.015	-0.022	25.132	0.010	0.010	0.000	0.000	0.000	0.000
362	A	371	GLU	-1	-0.692	-0.798	19.812	-0.138	-0.138	0.000	0.000	0.000	0.000
363	A	372	SER	0	-0.001	-0.006	22.788	0.014	0.014	0.000	0.000	0.000	0.000
364	A	373	PHE	0	0.012	0.022	22.651	-0.013	-0.013	0.000	0.000	0.000	0.000
365	A	374	PHE	0	0.068	0.039	19.291	0.009	0.009	0.000	0.000	0.000	0.000
366	A	375	SER	0	0.019	0.001	22.546	0.005	0.005	0.000	0.000	0.000	0.000
367	A	376	VAL	0	-0.029	-0.009	24.873	0.011	0.011	0.000	0.000	0.000	0.000
368	A	377	TRP	0	0.049	0.033	28.010	0.003	0.003	0.000	0.000	0.000	0.000
369	A	378	ILE	0	-0.028	-0.011	29.069	0.006	0.006	0.000	0.000	0.000	0.000
370	A	379	MET	0	-0.032	-0.021	28.426	0.003	0.003	0.000	0.000	0.000	0.000
371	A	380	PRO	0	-0.017	0.011	27.206	-0.009	-0.009	0.000	0.000	0.000	0.000
372	A	381	ARG	1	0.804	0.868	19.299	0.173	0.173	0.000	0.000	0.000	0.000
373	A	382	LEU	0	-0.037	-0.017	25.472	0.009	0.009	0.000	0.000	0.000	0.000
374	A	383	ASN	0	-0.038	-0.018	24.113	-0.013	-0.013	0.000	0.000	0.000	0.000
375	A	384	HIS	0	0.032	-0.008	22.816	0.004	0.004	0.000	0.000	0.000	0.000
376	A	385	ASP	-1	-0.840	-0.891	20.641	-0.096	-0.096	0.000	0.000	0.000	0.000
377	A	386	ASN	0	-0.057	-0.033	23.939	0.014	0.014	0.000	0.000	0.000	0.000
378	A	387	PRO	0	0.082	0.024	27.308	-0.003	-0.003	0.000	0.000	0.000	0.000
379	A	388	LYS	1	0.940	0.971	29.794	0.033	0.033	0.000	0.000	0.000	0.000
380	A	389	VAL	0	-0.010	0.009	28.031	0.001	0.001	0.000	0.000	0.000	0.000
381	A	390	ARG	1	0.908	0.934	23.142	0.075	0.075	0.000	0.000	0.000	0.000
382	A	391	GLU	-1	-0.861	-0.914	30.373	-0.044	-0.044	0.000	0.000	0.000	0.000
383	A	392	PHE	0	-0.033	-0.011	33.392	0.001	0.001	0.000	0.000	0.000	0.000
384	A	393	ILE	0	0.013	0.010	28.990	0.000	0.000	0.000	0.000	0.000	0.000
385	A	394	LYS	1	0.855	0.913	31.609	0.054	0.054	0.000	0.000	0.000	0.000
386	A	395	ASN	0	-0.037	-0.035	35.055	0.003	0.003	0.000	0.000	0.000	0.000
387	A	396	VAL	0	-0.040	-0.006	36.075	0.001	0.001	0.000	0.000	0.000	0.000
388	A	397	ILE	0	0.013	0.007	32.883	0.002	0.002	0.000	0.000	0.000	0.000
389	A	398	LEU	0	0.058	0.033	37.514	0.001	0.001	0.000	0.000	0.000	0.000
390	A	399	PHE	0	0.024	0.030	40.276	0.003	0.003	0.000	0.000	0.000	0.000
391	A	400	TRP	0	-0.035	-0.040	39.636	0.003	0.003	0.000	0.000	0.000	0.000
392	A	401	THR	0	-0.026	-0.019	39.833	0.000	0.000	0.000	0.000	0.000	0.000
393	A	402	ASN	0	-0.053	-0.048	42.408	0.003	0.003	0.000	0.000	0.000	0.000
394	A	403	LYS	1	0.802	0.936	45.302	0.044	0.044	0.000	0.000	0.000	0.000
395	A	404	GLY	0	0.022	0.016	46.098	0.001	0.001	0.000	0.000	0.000	0.000
396	A	405	VAL	0	-0.040	-0.005	40.857	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	406	ASP	-1	-0.807	-0.904	42.627	-0.048	-0.048	0.000	0.000	0.000	0.000
398	A	407	GLY	0	0.064	0.018	38.593	0.000	0.000	0.000	0.000	0.000	0.000
399	A	408	PHE	0	-0.051	-0.042	34.411	0.003	0.003	0.000	0.000	0.000	0.000
400	A	409	ARG	1	0.797	0.892	30.091	0.114	0.114	0.000	0.000	0.000	0.000
401	A	410	MET	0	-0.078	-0.039	28.911	0.003	0.003	0.000	0.000	0.000	0.000
402	A	411	ASP	-1	-0.750	-0.903	28.686	-0.129	-0.129	0.000	0.000	0.000	0.000
403	A	412	VAL	0	-0.029	-0.011	23.273	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	413	ALA	0	0.046	0.032	24.156	-0.004	-0.004	0.000	0.000	0.000	0.000
405	A	414	HIS	0	0.067	0.036	20.075	-0.002	-0.002	0.000	0.000	0.000	0.000
406	A	415	GLY	0	-0.008	0.002	19.390	-0.026	-0.026	0.000	0.000	0.000	0.000
407	A	416	VAL	0	-0.070	-0.032	20.837	0.010	0.010	0.000	0.000	0.000	0.000
408	A	417	PRO	0	0.032	0.018	19.710	-0.009	-0.009	0.000	0.000	0.000	0.000
409	A	418	PRO	0	0.034	0.014	19.306	0.017	0.017	0.000	0.000	0.000	0.000
410	A	419	GLU	-1	-0.873	-0.953	21.530	-0.082	-0.082	0.000	0.000	0.000	0.000
411	A	420	VAL	0	-0.043	-0.011	23.881	0.012	0.012	0.000	0.000	0.000	0.000
412	A	421	TRP	0	0.027	-0.011	24.128	0.016	0.016	0.000	0.000	0.000	0.000
413	A	422	LYS	1	0.890	0.954	25.407	0.078	0.078	0.000	0.000	0.000	0.000
414	A	423	GLU	-1	-0.790	-0.881	27.747	-0.056	-0.056	0.000	0.000	0.000	0.000
415	A	424	VAL	0	-0.050	-0.031	29.951	0.006	0.006	0.000	0.000	0.000	0.000
416	A	425	ARG	1	0.806	0.910	30.901	0.077	0.077	0.000	0.000	0.000	0.000
417	A	426	GLU	-1	-0.994	-0.993	31.916	-0.042	-0.042	0.000	0.000	0.000	0.000
418	A	427	ALA	0	-0.022	-0.010	33.919	0.005	0.005	0.000	0.000	0.000	0.000
419	A	428	LEU	0	-0.041	-0.002	35.349	0.003	0.003	0.000	0.000	0.000	0.000
420	A	429	PRO	0	-0.019	-0.027	37.561	0.001	0.001	0.000	0.000	0.000	0.000
421	A	430	LYS	1	0.965	0.967	37.802	0.045	0.045	0.000	0.000	0.000	0.000
422	A	431	GLU	-1	-0.853	-0.923	40.390	-0.047	-0.047	0.000	0.000	0.000	0.000
423	A	432	LYS	1	0.825	0.915	39.124	0.047	0.047	0.000	0.000	0.000	0.000
424	A	433	TYR	0	-0.026	-0.018	35.253	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	434	LEU	0	-0.011	-0.006	31.442	0.000	0.000	0.000	0.000	0.000	0.000
426	A	435	ILE	0	0.006	0.006	31.181	-0.004	-0.004	0.000	0.000	0.000	0.000
427	A	436	GLY	0	0.052	0.027	27.844	0.003	0.003	0.000	0.000	0.000	0.000
428	A	437	GLU	-1	-0.833	-0.921	25.999	-0.143	-0.143	0.000	0.000	0.000	0.000
429	A	438	VAL	0	-0.028	-0.027	22.384	-0.006	-0.006	0.000	0.000	0.000	0.000
430	A	439	MET	0	-0.009	-0.014	21.828	0.011	0.011	0.000	0.000	0.000	0.000
431	A	440	ASP	-1	-0.729	-0.830	19.059	-0.314	-0.314	0.000	0.000	0.000	0.000
432	A	441	ASP	-1	-0.815	-0.881	19.010	-0.215	-0.215	0.000	0.000	0.000	0.000
433	A	442	ALA	0	0.049	0.009	20.557	-0.006	-0.006	0.000	0.000	0.000	0.000
434	A	443	ARG	1	0.856	0.912	19.542	0.241	0.241	0.000	0.000	0.000	0.000
435	A	444	LEU	0	-0.019	-0.010	16.447	0.016	0.016	0.000	0.000	0.000	0.000
436	A	445	TRP	0	-0.072	-0.041	18.670	0.019	0.019	0.000	0.000	0.000	0.000
437	A	446	LEU	0	0.004	0.015	23.802	0.013	0.013	0.000	0.000	0.000	0.000
438	A	447	PHE	0	-0.005	-0.006	24.743	0.002	0.002	0.000	0.000	0.000	0.000
439	A	448	ASP	-1	-0.790	-0.882	26.560	-0.087	-0.087	0.000	0.000	0.000	0.000
440	A	449	LYS	1	0.838	0.924	23.025	0.116	0.116	0.000	0.000	0.000	0.000
441	A	450	PHE	0	-0.031	-0.008	25.677	0.007	0.007	0.000	0.000	0.000	0.000
442	A	451	HIS	0	-0.010	0.000	29.689	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	452	GLY	0	0.046	0.005	30.408	0.000	0.000	0.000	0.000	0.000	0.000
444	A	453	VAL	0	-0.037	-0.025	26.034	0.001	0.001	0.000	0.000	0.000	0.000
445	A	454	MET	0	-0.017	0.018	28.874	0.005	0.005	0.000	0.000	0.000	0.000
446	A	455	ASN	0	0.013	0.000	27.995	-0.021	-0.021	0.000	0.000	0.000	0.000
447	A	456	TYR	0	0.040	0.004	25.548	0.003	0.003	0.000	0.000	0.000	0.000
448	A	457	ARG	1	0.903	0.958	20.134	0.243	0.243	0.000	0.000	0.000	0.000
449	A	458	LEU	0	0.000	0.013	26.011	0.002	0.002	0.000	0.000	0.000	0.000
450	A	459	TYR	0	0.006	0.004	28.744	0.002	0.002	0.000	0.000	0.000	0.000
451	A	460	ASP	-1	-0.768	-0.891	25.463	-0.202	-0.202	0.000	0.000	0.000	0.000
452	A	461	ALA	0	0.007	0.012	27.920	0.003	0.003	0.000	0.000	0.000	0.000
453	A	462	ILE	0	-0.018	-0.019	29.767	0.008	0.008	0.000	0.000	0.000	0.000
454	A	463	LEU	0	-0.001	0.004	29.161	0.007	0.007	0.000	0.000	0.000	0.000
455	A	464	ARG	1	0.903	0.966	26.228	0.185	0.185	0.000	0.000	0.000	0.000
456	A	465	PHE	0	-0.037	0.004	31.222	0.007	0.007	0.000	0.000	0.000	0.000
457	A	466	PHE	0	-0.008	-0.024	34.468	0.006	0.006	0.000	0.000	0.000	0.000
458	A	467	GLY	0	-0.003	0.015	35.011	0.005	0.005	0.000	0.000	0.000	0.000
459	A	468	TYR	0	0.014	-0.005	30.705	0.000	0.000	0.000	0.000	0.000	0.000
460	A	469	GLU	-1	-0.869	-0.885	34.827	-0.083	-0.083	0.000	0.000	0.000	0.000
461	A	470	GLU	-1	-0.807	-0.903	29.786	-0.159	-0.159	0.000	0.000	0.000	0.000
462	A	471	ILE	0	-0.055	-0.006	29.590	-0.003	-0.003	0.000	0.000	0.000	0.000
463	A	472	THR	0	-0.088	-0.083	32.904	0.009	0.009	0.000	0.000	0.000	0.000
464	A	473	ALA	0	0.003	-0.002	34.653	-0.004	-0.004	0.000	0.000	0.000	0.000
465	A	474	GLU	-1	-0.742	-0.872	35.100	-0.083	-0.083	0.000	0.000	0.000	0.000
466	A	475	GLU	-1	-0.809	-0.870	30.493	-0.129	-0.129	0.000	0.000	0.000	0.000
467	A	476	PHE	0	0.000	-0.003	30.641	-0.006	-0.006	0.000	0.000	0.000	0.000
468	A	477	LEU	0	-0.012	-0.008	31.932	-0.003	-0.003	0.000	0.000	0.000	0.000
469	A	478	ASN	0	0.018	0.005	26.853	0.007	0.007	0.000	0.000	0.000	0.000
470	A	479	GLU	-1	-0.814	-0.901	25.565	-0.197	-0.197	0.000	0.000	0.000	0.000
471	A	480	LEU	0	-0.046	-0.014	28.460	-0.003	-0.003	0.000	0.000	0.000	0.000
472	A	481	GLU	-1	-0.778	-0.900	30.716	-0.084	-0.084	0.000	0.000	0.000	0.000
473	A	482	LEU	0	-0.016	0.007	24.159	0.004	0.004	0.000	0.000	0.000	0.000
474	A	483	LEU	0	-0.018	0.000	25.447	-0.004	-0.004	0.000	0.000	0.000	0.000
475	A	484	SER	0	-0.060	-0.033	27.693	0.005	0.005	0.000	0.000	0.000	0.000
476	A	485	SER	0	-0.044	-0.036	27.022	0.008	0.008	0.000	0.000	0.000	0.000
477	A	486	TYR	0	-0.103	-0.072	21.649	-0.004	-0.004	0.000	0.000	0.000	0.000
478	A	487	TYR	0	0.016	-0.016	23.956	-0.007	-0.007	0.000	0.000	0.000	0.000
479	A	488	GLY	0	0.074	0.048	28.003	0.007	0.007	0.000	0.000	0.000	0.000
480	A	489	PRO	0	0.010	0.002	30.988	0.000	0.000	0.000	0.000	0.000	0.000
481	A	490	ALA	0	0.038	0.011	29.719	0.003	0.003	0.000	0.000	0.000	0.000
482	A	491	GLU	-1	-0.760	-0.850	31.482	-0.099	-0.099	0.000	0.000	0.000	0.000
483	A	492	TYR	0	-0.041	-0.042	32.288	0.001	0.001	0.000	0.000	0.000	0.000
484	A	493	LEU	0	-0.011	0.004	33.679	0.004	0.004	0.000	0.000	0.000	0.000
485	A	494	MET	0	-0.049	0.013	27.572	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	495	TYR	0	0.043	0.027	32.275	0.008	0.008	0.000	0.000	0.000	0.000
487	A	496	ASN	0	0.022	-0.009	32.912	-0.014	-0.014	0.000	0.000	0.000	0.000
488	A	497	PHE	0	-0.020	0.003	29.754	0.007	0.007	0.000	0.000	0.000	0.000
489	A	498	LEU	0	0.024	0.017	34.393	-0.005	-0.005	0.000	0.000	0.000	0.000
490	A	499	ASH	0	-0.084	-0.089	34.910	-0.003	-0.003	0.000	0.000	0.000	0.000
491	A	500	ASN	0	0.066	0.034	31.270	0.002	0.002	0.000	0.000	0.000	0.000
492	A	501	HIS	0	0.043	0.031	32.270	0.004	0.004	0.000	0.000	0.000	0.000
493	A	502	ASP	-1	-0.858	-0.922	30.221	-0.122	-0.122	0.000	0.000	0.000	0.000
494	A	503	VAL	0	-0.055	-0.001	30.256	-0.008	-0.008	0.000	0.000	0.000	0.000
495	A	504	GLU	-1	-0.809	-0.883	32.537	-0.127	-0.127	0.000	0.000	0.000	0.000
496	A	505	ARG	1	0.801	0.876	35.703	0.078	0.078	0.000	0.000	0.000	0.000
497	A	506	PHE	0	0.036	-0.010	34.828	0.000	0.000	0.000	0.000	0.000	0.000
498	A	507	LEU	0	-0.034	-0.014	38.440	0.001	0.001	0.000	0.000	0.000	0.000
499	A	508	ASP	-1	-0.762	-0.888	39.589	-0.079	-0.079	0.000	0.000	0.000	0.000
500	A	509	ILE	0	-0.059	0.005	34.098	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	510	VAL	0	0.002	0.002	38.056	0.000	0.000	0.000	0.000	0.000	0.000
502	A	511	GLY	0	0.023	0.045	40.417	0.003	0.003	0.000	0.000	0.000	0.000
503	A	512	ASP	-1	-0.824	-0.930	43.514	-0.062	-0.062	0.000	0.000	0.000	0.000
504	A	513	LYS	1	0.927	0.940	45.028	0.056	0.056	0.000	0.000	0.000	0.000
505	A	514	ARG	1	0.810	0.887	47.159	0.063	0.063	0.000	0.000	0.000	0.000
506	A	515	LYS	1	0.886	0.940	41.572	0.082	0.082	0.000	0.000	0.000	0.000
507	A	516	TYR	0	0.047	0.024	41.510	-0.002	-0.002	0.000	0.000	0.000	0.000
508	A	517	VAL	0	0.022	0.011	43.174	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	518	CYS	0	-0.058	-0.014	43.339	0.001	0.001	0.000	0.000	0.000	0.000
510	A	519	ALA	0	0.025	0.023	39.050	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	520	LEU	0	0.012	0.007	40.482	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	521	VAL	0	-0.007	-0.009	42.655	0.001	0.001	0.000	0.000	0.000	0.000
513	A	522	PHE	0	0.018	0.016	35.587	0.001	0.001	0.000	0.000	0.000	0.000
514	A	523	LEU	0	-0.028	-0.007	37.022	0.000	0.000	0.000	0.000	0.000	0.000
515	A	524	MET	0	-0.012	-0.007	39.602	0.000	0.000	0.000	0.000	0.000	0.000
516	A	525	THR	0	-0.048	-0.024	42.108	0.003	0.003	0.000	0.000	0.000	0.000
517	A	526	TYR	0	0.025	0.013	33.472	0.003	0.003	0.000	0.000	0.000	0.000
518	A	527	LYS	1	0.802	0.909	34.232	0.091	0.091	0.000	0.000	0.000	0.000
519	A	528	GLY	0	0.057	0.031	35.680	-0.006	-0.006	0.000	0.000	0.000	0.000
520	A	529	ILE	0	-0.008	0.001	36.494	0.004	0.004	0.000	0.000	0.000	0.000
521	A	530	PRO	0	-0.015	0.012	37.371	-0.005	-0.005	0.000	0.000	0.000	0.000
522	A	531	SER	0	-0.034	-0.040	37.150	0.002	0.002	0.000	0.000	0.000	0.000
523	A	532	LEU	0	-0.005	-0.005	39.715	-0.002	-0.002	0.000	0.000	0.000	0.000
524	A	533	PHE	0	0.040	0.033	38.772	0.001	0.001	0.000	0.000	0.000	0.000
525	A	534	TYR	0	0.003	-0.035	40.760	0.001	0.001	0.000	0.000	0.000	0.000
526	A	535	GLY	0	0.080	0.032	43.820	-0.002	-0.002	0.000	0.000	0.000	0.000
527	A	536	ASP	-1	-0.794	-0.848	41.109	-0.080	-0.080	0.000	0.000	0.000	0.000
528	A	537	GLU	-1	-0.801	-0.876	44.710	-0.059	-0.059	0.000	0.000	0.000	0.000
529	A	538	ILE	0	-0.020	-0.008	47.962	0.002	0.002	0.000	0.000	0.000	0.000
530	A	539	GLY	0	-0.023	-0.014	46.949	0.001	0.001	0.000	0.000	0.000	0.000
531	A	540	LEU	0	-0.041	-0.005	45.016	0.000	0.000	0.000	0.000	0.000	0.000
532	A	541	ARG	1	0.797	0.887	43.704	0.070	0.070	0.000	0.000	0.000	0.000
533	A	542	GLY	0	-0.018	-0.021	41.415	0.001	0.001	0.000	0.000	0.000	0.000
534	A	543	ILE	0	-0.038	-0.014	42.278	0.003	0.003	0.000	0.000	0.000	0.000
535	A	544	ASN	0	0.028	0.016	42.078	-0.002	-0.002	0.000	0.000	0.000	0.000
536	A	545	LEU	0	-0.046	-0.031	40.553	0.004	0.004	0.000	0.000	0.000	0.000
537	A	546	GLN	0	-0.038	-0.033	40.785	-0.004	-0.004	0.000	0.000	0.000	0.000
538	A	547	GLY	0	0.002	0.003	40.850	-0.002	-0.002	0.000	0.000	0.000	0.000
539	A	548	MET	0	-0.057	-0.007	35.673	-0.005	-0.005	0.000	0.000	0.000	0.000
540	A	549	GLU	-1	-0.820	-0.912	38.125	-0.078	-0.078	0.000	0.000	0.000	0.000
541	A	550	SER	0	-0.002	0.000	37.383	-0.006	-0.006	0.000	0.000	0.000	0.000
542	A	551	SER	0	0.014	0.000	36.305	0.005	0.005	0.000	0.000	0.000	0.000
543	A	552	ARG	1	0.825	0.893	33.502	0.107	0.107	0.000	0.000	0.000	0.000
544	A	553	ALA	0	0.043	0.033	40.597	0.003	0.003	0.000	0.000	0.000	0.000
545	A	554	PRO	0	-0.009	-0.006	44.071	0.000	0.000	0.000	0.000	0.000	0.000
546	A	555	MET	0	0.005	0.020	46.976	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	556	LEU	0	0.001	0.015	48.491	0.001	0.001	0.000	0.000	0.000	0.000
548	A	557	TRP	0	-0.039	-0.052	50.628	0.001	0.001	0.000	0.000	0.000	0.000
549	A	558	ASN	0	-0.042	-0.021	54.793	0.002	0.002	0.000	0.000	0.000	0.000
550	A	559	GLU	-1	-0.863	-0.951	56.475	-0.042	-0.042	0.000	0.000	0.000	0.000
551	A	560	GLU	-1	-0.935	-0.935	57.750	-0.040	-0.040	0.000	0.000	0.000	0.000
552	A	561	GLU	-1	-0.940	-0.991	54.078	-0.050	-0.050	0.000	0.000	0.000	0.000
553	A	562	TRP	0	-0.095	-0.047	53.026	-0.002	-0.002	0.000	0.000	0.000	0.000
554	A	563	ASP	-1	-0.764	-0.829	51.330	-0.052	-0.052	0.000	0.000	0.000	0.000
555	A	564	GLN	0	0.073	-0.002	52.962	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	565	ARG	1	0.940	0.994	53.673	0.046	0.046	0.000	0.000	0.000	0.000
557	A	566	ILE	0	-0.005	-0.006	47.638	0.000	0.000	0.000	0.000	0.000	0.000
558	A	567	LEU	0	0.030	0.060	50.376	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	568	GLU	-1	-0.948	-0.972	52.133	-0.042	-0.042	0.000	0.000	0.000	0.000
560	A	569	ILE	0	-0.023	-0.028	49.018	0.000	0.000	0.000	0.000	0.000	0.000
561	A	570	THR	0	-0.016	-0.040	46.813	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	571	LYS	1	0.958	0.986	49.243	0.044	0.044	0.000	0.000	0.000	0.000
563	A	572	THR	0	-0.065	-0.032	51.908	0.001	0.001	0.000	0.000	0.000	0.000
564	A	573	LEU	0	-0.004	-0.008	46.057	0.001	0.001	0.000	0.000	0.000	0.000
565	A	574	VAL	0	0.018	0.015	46.584	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	575	LYS	1	0.873	0.938	48.481	0.040	0.040	0.000	0.000	0.000	0.000
567	A	576	ILE	0	-0.017	-0.024	49.151	0.001	0.001	0.000	0.000	0.000	0.000
568	A	577	ARG	1	0.832	0.913	40.270	0.068	0.068	0.000	0.000	0.000	0.000
569	A	578	LYS	1	0.913	0.947	47.568	0.048	0.048	0.000	0.000	0.000	0.000
570	A	579	ASN	0	-0.019	0.003	48.934	0.002	0.002	0.000	0.000	0.000	0.000
571	A	580	ASN	0	0.080	0.055	48.871	0.000	0.000	0.000	0.000	0.000	0.000
572	A	581	LYS	1	0.905	0.920	47.901	0.035	0.035	0.000	0.000	0.000	0.000
573	A	582	ALA	0	-0.011	0.009	46.666	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	583	LEU	0	-0.034	-0.019	44.354	-0.003	-0.003	0.000	0.000	0.000	0.000
575	A	584	LEU	0	-0.056	-0.009	43.091	-0.004	-0.004	0.000	0.000	0.000	0.000
576	A	585	PHE	0	-0.016	-0.017	42.465	-0.002	-0.002	0.000	0.000	0.000	0.000
577	A	586	GLY	0	-0.006	0.011	42.395	0.000	0.000	0.000	0.000	0.000	0.000
578	A	587	ASN	0	0.034	0.024	40.066	-0.005	-0.005	0.000	0.000	0.000	0.000
579	A	588	PHE	0	0.036	-0.009	36.121	0.001	0.001	0.000	0.000	0.000	0.000
580	A	589	VAL	0	0.002	0.005	38.984	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	590	PRO	0	0.008	0.007	37.247	0.002	0.002	0.000	0.000	0.000	0.000
582	A	591	VAL	0	-0.056	-0.019	40.332	0.003	0.003	0.000	0.000	0.000	0.000
583	A	592	LYS	1	0.806	0.866	42.394	0.054	0.054	0.000	0.000	0.000	0.000
584	A	593	PHE	0	0.035	0.022	37.563	0.000	0.000	0.000	0.000	0.000	0.000
585	A	594	LYS	1	0.878	0.927	39.448	0.070	0.070	0.000	0.000	0.000	0.000
586	A	595	ARG	1	0.921	0.956	39.319	0.077	0.077	0.000	0.000	0.000	0.000
587	A	596	LYS	1	0.882	0.915	38.577	0.083	0.083	0.000	0.000	0.000	0.000
588	A	597	PHE	0	0.011	0.005	41.300	0.001	0.001	0.000	0.000	0.000	0.000
589	A	598	MET	0	0.013	0.022	38.001	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	599	VAL	0	0.006	0.007	42.162	0.003	0.003	0.000	0.000	0.000	0.000
591	A	600	TYR	0	-0.001	-0.010	41.037	-0.002	-0.002	0.000	0.000	0.000	0.000
592	A	601	LYS	1	0.825	0.915	43.126	0.048	0.048	0.000	0.000	0.000	0.000
593	A	602	ARG	1	0.806	0.924	41.089	0.061	0.061	0.000	0.000	0.000	0.000
594	A	603	GLU	-1	-0.787	-0.904	44.068	-0.040	-0.040	0.000	0.000	0.000	0.000
595	A	604	HIS	0	0.048	0.022	44.979	-0.003	-0.003	0.000	0.000	0.000	0.000
596	A	605	MET	0	-0.032	0.001	46.728	0.002	0.002	0.000	0.000	0.000	0.000
597	A	606	GLY	0	0.012	0.007	49.995	0.001	0.001	0.000	0.000	0.000	0.000
598	A	607	GLU	-1	-0.816	-0.873	50.521	-0.037	-0.037	0.000	0.000	0.000	0.000
599	A	608	ARG	1	0.843	0.902	48.798	0.037	0.037	0.000	0.000	0.000	0.000
600	A	609	THR	0	0.009	-0.004	47.589	0.002	0.002	0.000	0.000	0.000	0.000
601	A	610	ILE	0	-0.074	-0.045	46.956	-0.002	-0.002	0.000	0.000	0.000	0.000
602	A	611	VAL	0	0.013	0.006	44.436	0.001	0.001	0.000	0.000	0.000	0.000
603	A	612	ALA	0	-0.012	0.002	45.099	-0.002	-0.002	0.000	0.000	0.000	0.000
604	A	613	ILE	0	0.014	-0.001	41.725	0.001	0.001	0.000	0.000	0.000	0.000
605	A	614	ASN	0	-0.043	-0.003	44.279	-0.004	-0.004	0.000	0.000	0.000	0.000
606	A	615	TYR	0	-0.014	-0.022	39.419	0.004	0.004	0.000	0.000	0.000	0.000
607	A	616	SER	0	-0.020	-0.031	43.064	-0.002	-0.002	0.000	0.000	0.000	0.000
608	A	617	ASN	0	0.065	0.014	45.548	0.000	0.000	0.000	0.000	0.000	0.000
609	A	618	SER	0	0.006	0.006	48.384	0.002	0.002	0.000	0.000	0.000	0.000
610	A	619	ARG	1	0.962	0.979	50.037	0.040	0.040	0.000	0.000	0.000	0.000
611	A	620	VAL	0	0.021	0.024	48.038	0.000	0.000	0.000	0.000	0.000	0.000
612	A	621	LYS	1	0.906	0.952	51.197	0.041	0.041	0.000	0.000	0.000	0.000
613	A	622	GLU	-1	-0.773	-0.869	47.963	-0.051	-0.051	0.000	0.000	0.000	0.000
614	A	623	LEU	0	0.030	0.008	48.698	0.001	0.001	0.000	0.000	0.000	0.000
615	A	624	GLY	0	-0.003	0.005	52.676	0.001	0.001	0.000	0.000	0.000	0.000
616	A	625	ILE	0	0.010	0.024	53.250	0.001	0.001	0.000	0.000	0.000	0.000
617	A	626	THR	0	-0.049	-0.051	54.717	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	627	ILE	0	0.014	0.020	49.369	0.001	0.001	0.000	0.000	0.000	0.000
619	A	628	PRO	0	0.024	-0.005	51.885	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	629	GLU	-1	-0.863	-0.901	49.767	-0.051	-0.051	0.000	0.000	0.000	0.000
621	A	630	TYR	0	-0.032	-0.022	42.955	0.003	0.003	0.000	0.000	0.000	0.000
622	A	631	SER	0	-0.043	-0.028	47.762	0.002	0.002	0.000	0.000	0.000	0.000
623	A	632	GLY	0	0.040	0.027	47.504	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	633	VAL	0	-0.046	-0.036	48.181	0.003	0.003	0.000	0.000	0.000	0.000
625	A	634	ILE	0	-0.002	-0.003	47.894	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	635	ILE	0	0.000	-0.002	50.428	0.002	0.002	0.000	0.000	0.000	0.000
627	A	636	ASN	0	-0.004	-0.003	51.217	-0.002	-0.002	0.000	0.000	0.000	0.000
628	A	637	GLU	-1	-0.809	-0.900	53.282	-0.037	-0.037	0.000	0.000	0.000	0.000
629	A	638	ASP	-1	-0.909	-0.956	56.397	-0.034	-0.034	0.000	0.000	0.000	0.000
630	A	639	LYS	1	0.865	0.937	56.033	0.035	0.035	0.000	0.000	0.000	0.000
631	A	640	VAL	0	0.035	0.026	55.040	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	641	LYS	1	0.946	0.977	53.389	0.044	0.044	0.000	0.000	0.000	0.000
633	A	642	LEU	0	-0.006	0.005	52.674	-0.002	-0.002	0.000	0.000	0.000	0.000
634	A	643	ILE	0	-0.014	-0.013	48.924	0.001	0.001	0.000	0.000	0.000	0.000
635	A	644	LYS	1	0.863	0.906	50.165	0.049	0.049	0.000	0.000	0.000	0.000
636	A	645	TYR	0	-0.025	-0.028	50.348	0.003	0.003	0.000	0.000	0.000	0.000

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