FMO DATABASE

FMODB ID: K3813

Calculation Name: 2RDY-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2RDY

Chain ID: A

ChEMBL ID:

UniProt ID: Q9KEL0

Base Structure: X-ray

Registration Date: 2023-03-14

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	789
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21940360.140898
FMO2-HF: Nuclear repulsion	21628797.505147
FMO2-HF: Total energy	-311562.635752
FMO2-MP2: Total energy	-312472.718894

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:3:LEU)

Summations of interaction energy for fragment #1(A:3:LEU)

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.
-18.753	-8.926	11.323	-6.504	-14.642	-0.045

Interaction energy analysis for fragmet #1(A:3:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.033 / q_NPA : -0.017

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	5	ILE	0	-0.029	0.004	3.857	-0.930	1.063	-0.025	-0.993	-0.975	0.002
4	A	6	GLN	0	-0.049	-0.048	6.932	0.093	0.093	0.000	0.000	0.000	0.000
5	A	7	PHE	0	-0.012	-0.019	9.490	-0.017	-0.017	0.000	0.000	0.000	0.000
6	A	8	ASP	-1	-0.802	-0.872	13.106	0.508	0.508	0.000	0.000	0.000	0.000
7	A	9	PHE	0	-0.012	0.002	16.022	-0.067	-0.067	0.000	0.000	0.000	0.000
8	A	10	PRO	0	-0.042	-0.012	17.055	0.020	0.020	0.000	0.000	0.000	0.000
9	A	11	ALA	0	-0.005	0.004	17.681	-0.004	-0.004	0.000	0.000	0.000	0.000
10	A	12	SER	0	-0.048	-0.033	19.238	-0.027	-0.027	0.000	0.000	0.000	0.000
11	A	13	PHE	0	-0.038	-0.008	20.827	-0.022	-0.022	0.000	0.000	0.000	0.000
12	A	14	TRP	0	0.044	0.023	18.947	0.021	0.021	0.000	0.000	0.000	0.000
13	A	15	THR	0	-0.067	-0.068	17.583	0.009	0.009	0.000	0.000	0.000	0.000
14	A	16	GLU	-1	-0.822	-0.928	15.866	0.285	0.285	0.000	0.000	0.000	0.000
15	A	17	ALA	0	-0.020	0.008	15.525	0.049	0.049	0.000	0.000	0.000	0.000
16	A	18	LEU	0	-0.002	-0.011	10.831	0.005	0.005	0.000	0.000	0.000	0.000
17	A	19	PRO	0	0.040	0.036	11.687	-0.021	-0.021	0.000	0.000	0.000	0.000
18	A	20	ILE	0	-0.009	0.009	12.122	-0.019	-0.019	0.000	0.000	0.000	0.000
19	A	21	GLY	0	0.031	0.003	14.147	0.011	0.011	0.000	0.000	0.000	0.000
20	A	22	ASN	0	-0.038	-0.016	15.156	-0.017	-0.017	0.000	0.000	0.000	0.000
21	A	23	GLY	0	0.021	0.012	17.572	-0.011	-0.011	0.000	0.000	0.000	0.000
22	A	24	ASN	0	-0.039	-0.033	19.337	0.006	0.006	0.000	0.000	0.000	0.000
23	A	25	LEU	0	-0.051	-0.011	21.173	0.012	0.012	0.000	0.000	0.000	0.000
24	A	26	GLY	0	0.066	0.016	18.500	-0.013	-0.013	0.000	0.000	0.000	0.000
25	A	27	ALA	0	-0.043	-0.030	17.869	0.007	0.007	0.000	0.000	0.000	0.000
26	A	28	MET	0	-0.018	0.019	15.498	-0.010	-0.010	0.000	0.000	0.000	0.000
27	A	29	VAL	0	-0.005	0.000	15.882	0.001	0.001	0.000	0.000	0.000	0.000
28	A	30	PHE	0	0.014	-0.001	16.889	0.029	0.029	0.000	0.000	0.000	0.000
29	A	31	GLY	0	0.068	0.031	17.903	0.036	0.036	0.000	0.000	0.000	0.000
30	A	32	LYS	1	0.853	0.943	18.737	-0.133	-0.133	0.000	0.000	0.000	0.000
31	A	33	VAL	0	0.030	0.029	22.354	-0.014	-0.014	0.000	0.000	0.000	0.000
32	A	34	GLU	-1	-0.844	-0.917	23.990	0.115	0.115	0.000	0.000	0.000	0.000
33	A	35	LYS	1	0.862	0.927	27.161	-0.100	-0.100	0.000	0.000	0.000	0.000
34	A	36	GLU	-1	-0.745	-0.844	20.276	0.190	0.190	0.000	0.000	0.000	0.000
35	A	37	ARG	1	0.662	0.775	22.903	-0.103	-0.103	0.000	0.000	0.000	0.000
36	A	38	ILE	0	0.013	0.008	19.984	0.014	0.014	0.000	0.000	0.000	0.000
37	A	39	ALA	0	0.077	0.050	21.854	-0.013	-0.013	0.000	0.000	0.000	0.000
38	A	40	LEU	0	-0.051	-0.024	21.553	-0.003	-0.003	0.000	0.000	0.000	0.000
39	A	41	ASN	0	-0.009	-0.020	22.046	0.005	0.005	0.000	0.000	0.000	0.000
40	A	42	GLU	-1	-0.801	-0.885	23.409	-0.028	-0.028	0.000	0.000	0.000	0.000
41	A	43	ASP	-1	-0.730	-0.859	23.063	-0.051	-0.051	0.000	0.000	0.000	0.000
42	A	44	THR	0	-0.051	-0.038	24.883	-0.001	-0.001	0.000	0.000	0.000	0.000
43	A	45	LEU	0	-0.016	-0.016	28.029	0.002	0.002	0.000	0.000	0.000	0.000
44	A	46	TRP	0	0.002	0.000	26.756	0.003	0.003	0.000	0.000	0.000	0.000
45	A	47	SER	0	-0.008	-0.022	31.553	0.001	0.001	0.000	0.000	0.000	0.000
46	A	48	GLY	0	-0.025	-0.010	35.011	-0.003	-0.003	0.000	0.000	0.000	0.000
47	A	49	TYR	0	-0.015	-0.035	37.948	0.000	0.000	0.000	0.000	0.000	0.000
48	A	50	PRO	0	-0.004	-0.005	38.331	0.000	0.000	0.000	0.000	0.000	0.000
49	A	51	LYS	1	0.816	0.934	39.713	0.015	0.015	0.000	0.000	0.000	0.000
50	A	52	ASP	-1	-0.859	-0.926	42.235	-0.024	-0.024	0.000	0.000	0.000	0.000
51	A	53	TRP	0	0.014	-0.004	37.980	0.002	0.002	0.000	0.000	0.000	0.000
52	A	54	ASN	0	-0.042	-0.026	42.763	-0.003	-0.003	0.000	0.000	0.000	0.000
53	A	55	ASN	0	0.002	-0.023	45.048	0.002	0.002	0.000	0.000	0.000	0.000
54	A	56	PRO	0	0.018	0.003	47.798	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	57	LYS	1	0.834	0.915	50.979	0.014	0.014	0.000	0.000	0.000	0.000
56	A	58	ALA	0	0.014	0.016	47.381	0.000	0.000	0.000	0.000	0.000	0.000
57	A	59	LYS	1	0.912	0.957	49.428	0.023	0.023	0.000	0.000	0.000	0.000
58	A	60	GLU	-1	-0.903	-0.943	51.286	-0.021	-0.021	0.000	0.000	0.000	0.000
59	A	61	VAL	0	-0.036	-0.016	50.451	0.001	0.001	0.000	0.000	0.000	0.000
60	A	62	LEU	0	0.011	0.026	47.884	0.000	0.000	0.000	0.000	0.000	0.000
61	A	63	PRO	0	-0.025	-0.011	51.050	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	64	LYS	1	0.926	0.981	54.136	0.016	0.016	0.000	0.000	0.000	0.000
63	A	65	VAL	0	0.034	-0.006	48.337	0.000	0.000	0.000	0.000	0.000	0.000
64	A	66	ARG	1	0.857	0.929	47.237	0.032	0.032	0.000	0.000	0.000	0.000
65	A	67	GLU	-1	-0.877	-0.946	51.665	-0.018	-0.018	0.000	0.000	0.000	0.000
66	A	68	LEU	0	-0.045	-0.021	52.795	0.001	0.001	0.000	0.000	0.000	0.000
67	A	69	ILE	0	-0.005	-0.004	47.365	0.000	0.000	0.000	0.000	0.000	0.000
68	A	70	ALA	0	-0.004	0.006	51.333	0.000	0.000	0.000	0.000	0.000	0.000
69	A	71	GLN	0	-0.096	-0.038	53.869	0.002	0.002	0.000	0.000	0.000	0.000
70	A	72	GLU	-1	-0.826	-0.881	51.400	-0.021	-0.021	0.000	0.000	0.000	0.000
71	A	73	LYS	1	0.834	0.935	52.951	0.016	0.016	0.000	0.000	0.000	0.000
72	A	74	TYR	0	-0.025	-0.071	48.217	0.000	0.000	0.000	0.000	0.000	0.000
73	A	75	GLU	-1	-0.791	-0.839	49.098	-0.009	-0.009	0.000	0.000	0.000	0.000
74	A	76	GLU	-1	-0.925	-0.981	50.829	-0.013	-0.013	0.000	0.000	0.000	0.000
75	A	77	ALA	0	0.002	0.008	49.311	0.000	0.000	0.000	0.000	0.000	0.000
76	A	78	ASP	-1	-0.739	-0.863	45.212	-0.019	-0.019	0.000	0.000	0.000	0.000
77	A	79	GLN	0	-0.036	-0.014	47.148	0.000	0.000	0.000	0.000	0.000	0.000
78	A	80	LEU	0	0.004	-0.008	49.468	0.000	0.000	0.000	0.000	0.000	0.000
79	A	81	SER	0	-0.033	-0.034	45.556	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	82	ARG	1	0.876	0.929	43.986	0.009	0.009	0.000	0.000	0.000	0.000
81	A	83	ASP	-1	-0.798	-0.899	46.912	-0.014	-0.014	0.000	0.000	0.000	0.000
82	A	84	MET	0	-0.105	-0.041	45.702	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	85	MET	0	-0.080	0.006	42.325	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	86	GLY	0	0.091	0.053	42.232	0.000	0.000	0.000	0.000	0.000	0.000
85	A	87	PRO	0	-0.036	0.011	40.594	0.002	0.002	0.000	0.000	0.000	0.000
86	A	88	TYR	0	-0.007	-0.040	36.635	-0.003	-0.003	0.000	0.000	0.000	0.000
87	A	89	THR	0	0.020	0.031	33.071	0.000	0.000	0.000	0.000	0.000	0.000
88	A	90	GLN	0	-0.050	-0.019	34.642	0.005	0.005	0.000	0.000	0.000	0.000
89	A	91	SER	0	0.021	0.011	31.393	-0.003	-0.003	0.000	0.000	0.000	0.000
90	A	92	TYR	0	-0.041	-0.024	22.638	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	93	LEU	0	-0.023	-0.018	28.511	0.006	0.006	0.000	0.000	0.000	0.000
92	A	94	PRO	0	-0.029	0.015	26.494	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	95	PHE	0	0.032	-0.011	26.464	-0.002	-0.002	0.000	0.000	0.000	0.000
94	A	96	GLY	0	-0.026	0.002	27.029	0.000	0.000	0.000	0.000	0.000	0.000
95	A	97	ASP	-1	-0.804	-0.882	25.510	0.077	0.077	0.000	0.000	0.000	0.000
96	A	98	LEU	0	-0.028	-0.002	23.348	-0.004	-0.004	0.000	0.000	0.000	0.000
97	A	99	ASN	0	-0.028	-0.005	25.382	0.017	0.017	0.000	0.000	0.000	0.000
98	A	100	ILE	0	0.020	-0.005	24.102	-0.007	-0.007	0.000	0.000	0.000	0.000
99	A	101	PHE	0	-0.017	-0.011	27.627	0.009	0.009	0.000	0.000	0.000	0.000
100	A	102	MET	0	0.020	0.008	26.036	-0.010	-0.010	0.000	0.000	0.000	0.000
101	A	103	ASP	-1	-0.852	-0.935	29.505	0.099	0.099	0.000	0.000	0.000	0.000
102	A	104	HIS	0	-0.034	0.003	26.132	0.002	0.002	0.000	0.000	0.000	0.000
103	A	105	GLY	0	0.018	0.026	30.598	0.005	0.005	0.000	0.000	0.000	0.000
104	A	106	GLN	0	-0.037	-0.037	27.585	0.010	0.010	0.000	0.000	0.000	0.000
105	A	107	VAL	0	-0.002	-0.001	26.900	0.016	0.016	0.000	0.000	0.000	0.000
106	A	108	VAL	0	-0.014	-0.007	22.968	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	109	ALA	0	-0.049	-0.024	24.490	-0.004	-0.004	0.000	0.000	0.000	0.000
108	A	110	PRO	0	-0.006	-0.024	22.864	0.013	0.013	0.000	0.000	0.000	0.000
109	A	111	HIS	0	0.001	-0.001	18.126	0.013	0.013	0.000	0.000	0.000	0.000
110	A	112	TYR	0	-0.048	-0.031	16.945	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	113	HIS	0	-0.029	-0.023	9.998	-0.055	-0.055	0.000	0.000	0.000	0.000
112	A	114	ARG	1	0.782	0.886	13.518	-0.474	-0.474	0.000	0.000	0.000	0.000
113	A	115	GLU	-1	-0.747	-0.848	8.232	1.092	1.092	0.000	0.000	0.000	0.000
114	A	116	LEU	0	0.026	0.020	7.144	-0.134	-0.134	0.000	0.000	0.000	0.000
115	A	117	ASP	-1	-0.759	-0.844	4.615	-0.781	-0.687	-0.001	-0.027	-0.066	0.000
116	A	118	LEU	0	0.028	0.001	2.248	-1.320	-0.093	1.701	-0.794	-2.134	0.000
117	A	119	SER	0	-0.063	-0.031	3.647	-0.300	0.240	0.006	-0.092	-0.454	0.000
118	A	120	THR	0	-0.064	-0.064	4.871	0.096	0.193	-0.001	-0.005	-0.091	0.000
119	A	121	GLY	0	0.033	0.022	7.532	0.065	0.065	0.000	0.000	0.000	0.000
120	A	122	ILE	0	-0.071	-0.034	9.163	0.053	0.053	0.000	0.000	0.000	0.000
121	A	123	VAL	0	0.017	0.016	9.884	0.017	0.017	0.000	0.000	0.000	0.000
122	A	124	THR	0	-0.025	-0.016	10.422	-0.079	-0.079	0.000	0.000	0.000	0.000
123	A	125	VAL	0	-0.039	-0.018	13.119	0.064	0.064	0.000	0.000	0.000	0.000
124	A	126	THR	0	-0.003	-0.005	15.103	-0.029	-0.029	0.000	0.000	0.000	0.000
125	A	127	TYR	0	0.018	-0.002	17.429	0.028	0.028	0.000	0.000	0.000	0.000
126	A	128	THR	0	0.033	0.009	20.626	-0.022	-0.022	0.000	0.000	0.000	0.000
127	A	129	ILE	0	0.024	0.020	23.780	0.004	0.004	0.000	0.000	0.000	0.000
128	A	130	GLY	0	-0.006	-0.002	27.481	-0.008	-0.008	0.000	0.000	0.000	0.000
129	A	131	GLY	0	-0.037	-0.016	28.068	-0.009	-0.009	0.000	0.000	0.000	0.000
130	A	132	VAL	0	-0.042	-0.010	26.630	0.002	0.002	0.000	0.000	0.000	0.000
131	A	133	GLN	0	-0.017	-0.007	19.442	0.012	0.012	0.000	0.000	0.000	0.000
132	A	134	TYR	0	-0.025	-0.032	22.362	-0.021	-0.021	0.000	0.000	0.000	0.000
133	A	135	THR	0	-0.022	-0.011	17.490	0.029	0.029	0.000	0.000	0.000	0.000
134	A	136	ARG	1	0.807	0.877	17.807	-0.217	-0.217	0.000	0.000	0.000	0.000
135	A	137	GLU	-1	-0.806	-0.867	15.540	0.138	0.138	0.000	0.000	0.000	0.000
136	A	138	LEU	0	-0.050	-0.027	15.351	-0.023	-0.023	0.000	0.000	0.000	0.000
137	A	139	PHE	0	0.053	0.022	14.345	-0.006	-0.006	0.000	0.000	0.000	0.000
138	A	140	VAL	0	0.001	0.000	15.531	0.011	0.011	0.000	0.000	0.000	0.000
139	A	141	THR	0	0.026	0.038	16.674	-0.026	-0.026	0.000	0.000	0.000	0.000
140	A	142	TYR	0	0.009	-0.004	18.108	0.006	0.006	0.000	0.000	0.000	0.000
141	A	143	PRO	0	-0.049	-0.023	18.844	0.010	0.010	0.000	0.000	0.000	0.000
142	A	144	ASP	-1	-0.840	-0.891	21.871	-0.049	-0.049	0.000	0.000	0.000	0.000
143	A	145	ARG	1	0.801	0.865	22.963	0.056	0.056	0.000	0.000	0.000	0.000
144	A	146	ALA	0	0.039	0.019	22.247	0.007	0.007	0.000	0.000	0.000	0.000
145	A	147	ILE	0	0.011	0.011	19.572	-0.007	-0.007	0.000	0.000	0.000	0.000
146	A	148	VAL	0	-0.048	-0.025	19.274	0.002	0.002	0.000	0.000	0.000	0.000
147	A	149	VAL	0	0.034	0.006	19.314	0.008	0.008	0.000	0.000	0.000	0.000
148	A	150	ARG	1	0.772	0.862	19.338	-0.076	-0.076	0.000	0.000	0.000	0.000
149	A	151	LEU	0	0.001	-0.009	20.603	0.021	0.021	0.000	0.000	0.000	0.000
150	A	152	THR	0	-0.007	-0.024	21.151	-0.009	-0.009	0.000	0.000	0.000	0.000
151	A	153	ALA	0	0.065	0.030	23.613	0.014	0.014	0.000	0.000	0.000	0.000
152	A	154	SER	0	-0.021	-0.003	24.071	-0.007	-0.007	0.000	0.000	0.000	0.000
153	A	155	LYS	1	0.872	0.935	25.756	-0.099	-0.099	0.000	0.000	0.000	0.000
154	A	156	GLU	-1	-0.936	-0.972	29.598	0.065	0.065	0.000	0.000	0.000	0.000
155	A	157	GLY	0	-0.015	-0.007	32.144	0.001	0.001	0.000	0.000	0.000	0.000
156	A	158	PHE	0	-0.030	-0.020	30.262	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	159	LEU	0	0.039	0.036	26.266	0.010	0.010	0.000	0.000	0.000	0.000
158	A	160	SER	0	-0.040	-0.024	29.760	-0.012	-0.012	0.000	0.000	0.000	0.000
159	A	161	PHE	0	0.008	-0.001	28.256	0.007	0.007	0.000	0.000	0.000	0.000
160	A	162	ARG	1	0.821	0.920	31.226	-0.066	-0.066	0.000	0.000	0.000	0.000
161	A	163	ALA	0	0.017	0.010	28.725	0.007	0.007	0.000	0.000	0.000	0.000
162	A	164	LYS	1	0.821	0.911	30.171	-0.053	-0.053	0.000	0.000	0.000	0.000
163	A	165	LEU	0	-0.032	0.003	28.259	0.004	0.004	0.000	0.000	0.000	0.000
164	A	166	ASP	-1	-0.857	-0.934	30.387	0.046	0.046	0.000	0.000	0.000	0.000
165	A	167	SER	0	-0.035	-0.056	30.521	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	168	LEU	0	0.030	0.032	30.153	0.000	0.000	0.000	0.000	0.000	0.000
167	A	169	LEU	0	0.003	0.016	31.853	-0.003	-0.003	0.000	0.000	0.000	0.000
168	A	170	ARG	1	0.900	0.951	34.850	-0.011	-0.011	0.000	0.000	0.000	0.000
169	A	171	HIS	0	-0.053	-0.030	35.344	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	172	VAL	0	0.001	0.010	38.039	0.002	0.002	0.000	0.000	0.000	0.000
171	A	173	SER	0	0.034	0.009	36.996	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	174	SER	0	-0.053	-0.022	37.760	-0.002	-0.002	0.000	0.000	0.000	0.000
173	A	175	VAL	0	0.030	0.026	37.802	0.001	0.001	0.000	0.000	0.000	0.000
174	A	176	GLY	0	0.027	0.019	38.051	-0.002	-0.002	0.000	0.000	0.000	0.000
175	A	177	ALA	0	-0.043	-0.026	38.976	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	178	GLU	-1	-0.819	-0.908	36.245	0.010	0.010	0.000	0.000	0.000	0.000
177	A	179	HIS	0	-0.001	0.011	33.791	0.001	0.001	0.000	0.000	0.000	0.000
178	A	180	TYR	0	-0.005	-0.004	32.922	0.000	0.000	0.000	0.000	0.000	0.000
179	A	181	THR	0	-0.072	-0.049	33.117	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	182	ILE	0	0.026	0.015	30.792	0.002	0.002	0.000	0.000	0.000	0.000
181	A	183	SER	0	-0.043	-0.018	34.286	-0.004	-0.004	0.000	0.000	0.000	0.000
182	A	184	GLY	0	0.047	0.023	36.399	0.003	0.003	0.000	0.000	0.000	0.000
183	A	185	THR	0	-0.004	0.006	37.834	-0.002	-0.002	0.000	0.000	0.000	0.000
184	A	186	ALA	0	0.019	0.013	35.282	0.003	0.003	0.000	0.000	0.000	0.000
185	A	187	PRO	0	-0.028	-0.014	35.695	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	188	GLU	-1	-0.783	-0.913	38.139	-0.008	-0.008	0.000	0.000	0.000	0.000
187	A	189	HIS	0	-0.018	-0.016	39.076	-0.004	-0.004	0.000	0.000	0.000	0.000
188	A	190	VAL	0	-0.022	-0.012	34.065	0.003	0.003	0.000	0.000	0.000	0.000
189	A	191	SER	0	0.003	-0.017	36.221	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	192	PRO	0	0.048	0.031	33.675	0.003	0.003	0.000	0.000	0.000	0.000
191	A	193	SER	0	0.016	0.020	31.141	0.000	0.000	0.000	0.000	0.000	0.000
192	A	194	TYR	0	-0.006	0.004	32.428	0.003	0.003	0.000	0.000	0.000	0.000
193	A	195	TYR	0	-0.087	-0.079	35.268	0.000	0.000	0.000	0.000	0.000	0.000
194	A	196	ASP	-1	-0.836	-0.903	38.493	0.017	0.017	0.000	0.000	0.000	0.000
195	A	197	GLU	-1	-0.750	-0.807	40.589	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	198	GLU	-1	-0.935	-0.979	43.011	0.010	0.010	0.000	0.000	0.000	0.000
197	A	199	ASN	0	-0.048	-0.024	44.342	0.000	0.000	0.000	0.000	0.000	0.000
198	A	200	PRO	0	0.077	0.042	39.295	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	201	VAL	0	-0.013	-0.002	37.189	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	202	ARG	1	0.750	0.860	39.804	0.000	0.000	0.000	0.000	0.000	0.000
201	A	203	TYR	0	0.023	0.001	36.778	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	204	GLY	0	0.060	0.046	42.468	0.001	0.001	0.000	0.000	0.000	0.000
203	A	205	HIS	0	-0.039	-0.023	45.164	0.001	0.001	0.000	0.000	0.000	0.000
204	A	206	PRO	0	0.016	-0.009	45.285	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	207	ASP	-1	-0.910	-0.953	46.472	0.000	0.000	0.000	0.000	0.000	0.000
206	A	208	MET	0	-0.095	-0.055	48.245	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	209	SER	0	-0.050	-0.012	42.488	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	210	GLN	0	-0.005	-0.005	43.189	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	211	GLY	0	-0.028	0.008	39.239	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	212	MET	0	-0.028	0.014	32.783	0.001	0.001	0.000	0.000	0.000	0.000
211	A	213	THR	0	-0.003	-0.006	37.250	0.003	0.003	0.000	0.000	0.000	0.000
212	A	214	PHE	0	0.011	-0.008	32.526	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	215	HIS	0	0.021	0.008	32.970	0.002	0.002	0.000	0.000	0.000	0.000
214	A	216	GLY	0	0.054	0.033	30.340	-0.003	-0.003	0.000	0.000	0.000	0.000
215	A	217	ARG	1	0.748	0.856	29.864	0.000	0.000	0.000	0.000	0.000	0.000
216	A	218	LEU	0	0.038	0.021	27.265	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	219	ALA	0	0.003	-0.010	29.073	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	220	ALA	0	0.009	-0.008	28.845	0.004	0.004	0.000	0.000	0.000	0.000
219	A	221	VAL	0	0.025	0.021	28.784	-0.005	-0.005	0.000	0.000	0.000	0.000
220	A	222	ASN	0	-0.031	-0.021	28.893	0.003	0.003	0.000	0.000	0.000	0.000
221	A	223	GLU	-1	-0.804	-0.863	26.939	0.051	0.051	0.000	0.000	0.000	0.000
222	A	224	GLY	0	0.071	0.024	30.789	0.007	0.007	0.000	0.000	0.000	0.000
223	A	225	GLY	0	0.025	0.020	33.661	0.000	0.000	0.000	0.000	0.000	0.000
224	A	226	SER	0	-0.104	-0.047	35.793	-0.005	-0.005	0.000	0.000	0.000	0.000
225	A	227	LEU	0	0.049	0.020	33.299	0.004	0.004	0.000	0.000	0.000	0.000
226	A	228	LYS	1	0.823	0.918	36.324	-0.046	-0.046	0.000	0.000	0.000	0.000
227	A	229	VAL	0	0.019	0.002	36.553	0.003	0.003	0.000	0.000	0.000	0.000
228	A	230	ASP	-1	-0.816	-0.881	38.312	0.038	0.038	0.000	0.000	0.000	0.000
229	A	231	ALA	0	0.074	0.022	38.730	0.001	0.001	0.000	0.000	0.000	0.000
230	A	232	ASP	-1	-0.832	-0.910	37.823	0.052	0.052	0.000	0.000	0.000	0.000
231	A	233	GLY	0	0.012	0.005	34.819	0.005	0.005	0.000	0.000	0.000	0.000
232	A	234	LEU	0	-0.016	0.006	31.471	-0.004	-0.004	0.000	0.000	0.000	0.000
233	A	235	HIS	0	-0.048	-0.055	33.608	0.008	0.008	0.000	0.000	0.000	0.000
234	A	236	VAL	0	0.009	0.012	30.818	-0.006	-0.006	0.000	0.000	0.000	0.000
235	A	237	MET	0	0.000	-0.001	33.417	0.006	0.006	0.000	0.000	0.000	0.000
236	A	238	GLY	0	0.052	0.026	34.584	-0.005	-0.005	0.000	0.000	0.000	0.000
237	A	239	ALA	0	-0.014	0.000	30.856	-0.004	-0.004	0.000	0.000	0.000	0.000
238	A	240	THR	0	-0.004	-0.008	28.134	0.005	0.005	0.000	0.000	0.000	0.000
239	A	241	CYS	0	-0.043	-0.016	25.329	0.014	0.014	0.000	0.000	0.000	0.000
240	A	242	ALA	0	0.021	0.008	25.557	-0.008	-0.008	0.000	0.000	0.000	0.000
241	A	243	THR	0	-0.027	0.006	22.811	0.012	0.012	0.000	0.000	0.000	0.000
242	A	244	LEU	0	-0.032	-0.001	24.537	-0.007	-0.007	0.000	0.000	0.000	0.000
243	A	245	TYR	0	0.051	0.009	23.526	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	246	PHE	0	0.028	-0.007	24.236	0.003	0.003	0.000	0.000	0.000	0.000
245	A	247	SER	0	0.020	0.019	24.828	-0.007	-0.007	0.000	0.000	0.000	0.000
246	A	248	ALA	0	0.009	-0.002	26.767	0.006	0.006	0.000	0.000	0.000	0.000
247	A	249	SER	0	-0.006	0.012	28.268	-0.008	-0.008	0.000	0.000	0.000	0.000
248	A	250	THR	0	0.022	0.000	30.371	0.005	0.005	0.000	0.000	0.000	0.000
249	A	251	SER	0	0.023	0.015	32.797	-0.002	-0.002	0.000	0.000	0.000	0.000
250	A	252	PHE	0	0.000	0.000	30.881	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	253	ASP	-1	-0.805	-0.891	33.298	-0.043	-0.043	0.000	0.000	0.000	0.000
252	A	254	PRO	0	0.011	0.002	30.132	0.000	0.000	0.000	0.000	0.000	0.000
253	A	255	SER	0	-0.079	-0.058	32.383	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	256	THR	0	-0.014	-0.013	35.104	0.001	0.001	0.000	0.000	0.000	0.000
255	A	257	GLY	0	-0.010	-0.002	34.325	0.000	0.000	0.000	0.000	0.000	0.000
256	A	258	ALA	0	0.048	0.015	35.376	0.003	0.003	0.000	0.000	0.000	0.000
257	A	259	SER	0	-0.003	0.005	36.917	0.000	0.000	0.000	0.000	0.000	0.000
258	A	260	CYS	0	-0.013	0.001	38.391	0.001	0.001	0.000	0.000	0.000	0.000
259	A	261	LEU	0	0.024	0.004	39.876	0.001	0.001	0.000	0.000	0.000	0.000
260	A	262	GLU	-1	-0.913	-0.967	41.641	-0.023	-0.023	0.000	0.000	0.000	0.000
261	A	263	ARG	1	0.778	0.909	30.709	0.035	0.035	0.000	0.000	0.000	0.000
262	A	264	ASP	-1	-0.764	-0.870	37.292	-0.007	-0.007	0.000	0.000	0.000	0.000
263	A	265	PRO	0	-0.001	-0.011	34.002	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	266	SER	0	-0.046	-0.047	34.112	0.001	0.001	0.000	0.000	0.000	0.000
265	A	267	LEU	0	0.009	-0.001	35.830	0.001	0.001	0.000	0.000	0.000	0.000
266	A	268	ARG	1	0.940	0.963	29.935	0.031	0.031	0.000	0.000	0.000	0.000
267	A	269	THR	0	0.054	0.042	30.225	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	270	ILE	0	-0.051	-0.028	31.511	0.002	0.002	0.000	0.000	0.000	0.000
269	A	271	GLU	-1	-0.805	-0.858	31.298	-0.033	-0.033	0.000	0.000	0.000	0.000
270	A	272	THR	0	0.013	0.003	26.937	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	273	ILE	0	-0.020	-0.002	27.858	0.000	0.000	0.000	0.000	0.000	0.000
272	A	274	LYS	1	0.830	0.893	30.184	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	275	ALA	0	-0.029	0.011	29.710	0.000	0.000	0.000	0.000	0.000	0.000
274	A	276	ILE	0	0.028	0.011	23.038	0.001	0.001	0.000	0.000	0.000	0.000
275	A	277	CYS	0	-0.064	-0.036	27.484	0.004	0.004	0.000	0.000	0.000	0.000
276	A	278	LYS	1	0.825	0.908	29.616	0.016	0.016	0.000	0.000	0.000	0.000
277	A	279	ARG	1	0.793	0.899	24.841	0.042	0.042	0.000	0.000	0.000	0.000
278	A	280	GLY	0	0.012	0.012	26.562	0.007	0.007	0.000	0.000	0.000	0.000
279	A	281	TYR	0	-0.024	-0.063	18.101	-0.016	-0.016	0.000	0.000	0.000	0.000
280	A	282	LYS	1	0.999	0.975	20.601	-0.034	-0.034	0.000	0.000	0.000	0.000
281	A	283	GLU	-1	-0.855	-0.902	20.488	-0.045	-0.045	0.000	0.000	0.000	0.000
282	A	284	ILE	0	0.016	0.006	20.084	-0.014	-0.014	0.000	0.000	0.000	0.000
283	A	285	VAL	0	0.025	0.026	15.530	-0.015	-0.015	0.000	0.000	0.000	0.000
284	A	286	ASN	0	-0.006	-0.012	16.295	-0.022	-0.022	0.000	0.000	0.000	0.000
285	A	287	ARG	1	0.845	0.894	17.192	0.049	0.049	0.000	0.000	0.000	0.000
286	A	288	HIS	0	0.002	0.003	12.458	-0.007	-0.007	0.000	0.000	0.000	0.000
287	A	289	LEU	0	0.015	0.005	11.238	-0.027	-0.027	0.000	0.000	0.000	0.000
288	A	290	GLU	-1	-0.913	-0.943	13.057	-0.198	-0.198	0.000	0.000	0.000	0.000
289	A	291	ASP	-1	-0.838	-0.919	14.847	-0.196	-0.196	0.000	0.000	0.000	0.000
290	A	292	TYR	0	-0.001	0.000	6.380	0.009	0.009	0.000	0.000	0.000	0.000
291	A	293	THR	0	-0.016	-0.014	9.395	-0.041	-0.041	0.000	0.000	0.000	0.000
292	A	294	LYS	1	0.825	0.901	10.934	0.145	0.145	0.000	0.000	0.000	0.000
293	A	295	LEU	0	-0.016	0.004	12.077	0.006	0.006	0.000	0.000	0.000	0.000
294	A	296	PHE	0	0.051	0.023	2.310	-0.773	-0.247	0.688	-0.163	-1.050	0.001
295	A	297	ASN	0	0.020	0.005	7.296	-0.100	-0.100	0.000	0.000	0.000	0.000
296	A	298	ARG	1	0.738	0.853	8.328	0.296	0.296	0.000	0.000	0.000	0.000
297	A	299	VAL	0	-0.002	0.014	7.861	0.039	0.039	0.000	0.000	0.000	0.000
298	A	300	SER	0	-0.042	-0.008	5.322	-0.036	-0.036	0.000	0.000	0.000	0.000
299	A	301	LEU	0	0.004	-0.005	5.051	0.521	0.521	0.000	0.000	0.000	0.000
300	A	302	HIS	0	-0.028	-0.022	5.463	-0.944	-0.944	0.000	0.000	0.000	0.000
301	A	303	LEU	0	0.013	0.006	7.927	0.275	0.275	0.000	0.000	0.000	0.000
302	A	304	GLY	0	0.032	0.024	9.359	0.186	0.186	0.000	0.000	0.000	0.000
303	A	305	GLU	-1	-0.941	-0.969	8.803	-0.403	-0.403	0.000	0.000	0.000	0.000
304	A	306	SER	0	-0.069	-0.058	6.982	0.170	0.170	0.000	0.000	0.000	0.000
305	A	307	ILE	0	-0.015	-0.010	9.052	0.040	0.040	0.000	0.000	0.000	0.000
306	A	308	ALA	0	-0.005	0.016	9.363	-0.084	-0.084	0.000	0.000	0.000	0.000
307	A	309	PRO	0	-0.029	-0.008	10.305	0.170	0.170	0.000	0.000	0.000	0.000
308	A	310	ALA	0	0.014	-0.008	8.201	0.118	0.118	0.000	0.000	0.000	0.000
309	A	311	ASP	-1	-0.912	-0.951	8.488	1.403	1.403	0.000	0.000	0.000	0.000
310	A	312	MET	0	-0.058	0.002	10.547	-0.133	-0.133	0.000	0.000	0.000	0.000
311	A	313	SER	0	0.023	-0.009	9.830	0.301	0.301	0.000	0.000	0.000	0.000
312	A	314	THR	0	0.012	-0.002	7.658	-0.011	-0.011	0.000	0.000	0.000	0.000
313	A	315	ASP	-1	-0.800	-0.897	10.191	0.341	0.341	0.000	0.000	0.000	0.000
314	A	316	GLN	0	-0.048	-0.027	13.734	-0.013	-0.013	0.000	0.000	0.000	0.000
315	A	317	ARG	1	0.891	0.925	4.679	-2.567	-2.493	-0.001	-0.003	-0.070	0.000
316	A	318	ILE	0	-0.001	-0.003	10.854	-0.075	-0.075	0.000	0.000	0.000	0.000
317	A	319	LYS	1	0.904	0.961	12.736	-0.295	-0.295	0.000	0.000	0.000	0.000
318	A	320	GLU	-1	-0.903	-0.943	15.322	0.371	0.371	0.000	0.000	0.000	0.000
319	A	321	TYR	0	-0.048	-0.035	12.146	-0.037	-0.037	0.000	0.000	0.000	0.000
320	A	322	GLY	0	0.051	0.028	13.545	-0.066	-0.066	0.000	0.000	0.000	0.000
321	A	323	SER	0	0.012	-0.004	11.818	0.047	0.047	0.000	0.000	0.000	0.000
322	A	324	ARG	1	0.884	0.940	12.326	-0.196	-0.196	0.000	0.000	0.000	0.000
323	A	325	ASP	-1	-0.713	-0.820	8.045	0.750	0.750	0.000	0.000	0.000	0.000
324	A	326	LEU	0	0.052	0.020	8.851	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	327	GLY	0	0.043	0.026	5.259	-0.381	-0.381	0.000	0.000	0.000	0.000
326	A	328	LEU	0	-0.047	-0.014	4.058	-0.284	-0.024	0.001	-0.037	-0.224	0.000
327	A	329	VAL	0	-0.006	0.006	6.288	-0.068	-0.068	0.000	0.000	0.000	0.000
328	A	330	GLU	-1	-0.833	-0.927	2.501	-15.087	-10.765	2.772	-3.123	-3.970	-0.048
329	A	331	LEU	0	-0.028	-0.013	2.182	-1.663	-0.714	4.307	-1.916	-3.340	0.000
330	A	332	LEU	0	-0.002	-0.002	3.204	0.934	-0.208	0.031	1.270	-0.158	-0.001
331	A	333	PHE	0	-0.005	-0.002	5.974	0.043	0.043	0.000	0.000	0.000	0.000
332	A	334	GLN	0	0.013	0.003	2.309	0.066	0.870	1.846	-0.613	-2.037	0.001
333	A	335	TYR	0	-0.024	-0.019	4.878	0.077	0.160	-0.001	-0.008	-0.073	0.000
334	A	336	GLY	0	0.053	0.029	6.385	0.032	0.032	0.000	0.000	0.000	0.000
335	A	337	ARG	1	0.781	0.883	6.187	0.826	0.826	0.000	0.000	0.000	0.000
336	A	338	TYR	0	-0.039	-0.043	6.825	0.040	0.040	0.000	0.000	0.000	0.000
337	A	339	LEU	0	0.024	0.011	8.649	0.037	0.037	0.000	0.000	0.000	0.000
338	A	340	MET	0	-0.013	0.035	11.777	0.016	0.016	0.000	0.000	0.000	0.000
339	A	341	ILE	0	-0.045	-0.031	9.194	0.027	0.027	0.000	0.000	0.000	0.000
340	A	342	ALA	0	-0.041	-0.013	12.369	0.022	0.022	0.000	0.000	0.000	0.000
341	A	343	SER	0	-0.050	-0.054	14.208	0.027	0.027	0.000	0.000	0.000	0.000
342	A	344	SER	0	0.008	0.013	16.774	0.010	0.010	0.000	0.000	0.000	0.000
343	A	345	ARG	1	0.889	0.937	15.713	0.151	0.151	0.000	0.000	0.000	0.000
344	A	346	PRO	0	-0.016	-0.023	19.164	0.012	0.012	0.000	0.000	0.000	0.000
345	A	347	GLY	0	-0.012	0.004	22.303	0.004	0.004	0.000	0.000	0.000	0.000
346	A	348	THR	0	-0.054	-0.013	21.582	0.005	0.005	0.000	0.000	0.000	0.000
347	A	349	GLN	0	0.007	-0.004	24.039	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	350	PRO	0	0.004	-0.007	22.208	-0.007	-0.007	0.000	0.000	0.000	0.000
349	A	351	ALA	0	0.027	0.038	18.615	0.013	0.013	0.000	0.000	0.000	0.000
350	A	352	ASN	0	0.019	0.006	20.657	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	353	LEU	0	0.006	0.013	20.871	-0.007	-0.007	0.000	0.000	0.000	0.000
352	A	354	GLN	0	-0.005	-0.003	19.783	0.004	0.004	0.000	0.000	0.000	0.000
353	A	355	GLY	0	0.020	0.000	17.866	0.006	0.006	0.000	0.000	0.000	0.000
354	A	356	ILE	0	-0.015	0.007	18.047	-0.004	-0.004	0.000	0.000	0.000	0.000
355	A	357	TRP	0	-0.047	-0.014	14.270	0.008	0.008	0.000	0.000	0.000	0.000
356	A	358	ASN	0	0.060	-0.002	19.921	0.009	0.009	0.000	0.000	0.000	0.000
357	A	359	GLU	-1	-0.785	-0.875	23.259	0.082	0.082	0.000	0.000	0.000	0.000
358	A	360	GLU	-1	-0.897	-0.949	25.585	0.041	0.041	0.000	0.000	0.000	0.000
359	A	361	THR	0	-0.024	-0.036	28.360	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	362	ARG	1	0.756	0.852	31.551	-0.018	-0.018	0.000	0.000	0.000	0.000
361	A	363	ALA	0	0.047	0.039	26.876	0.002	0.002	0.000	0.000	0.000	0.000
362	A	364	PRO	0	0.036	0.015	25.476	-0.006	-0.006	0.000	0.000	0.000	0.000
363	A	365	TRP	0	0.003	0.007	25.283	-0.005	-0.005	0.000	0.000	0.000	0.000
364	A	366	SER	0	-0.004	-0.015	29.405	-0.005	-0.005	0.000	0.000	0.000	0.000
365	A	367	SER	0	-0.028	-0.023	24.552	0.000	0.000	0.000	0.000	0.000	0.000
366	A	368	ASN	0	-0.023	-0.019	25.988	-0.008	-0.008	0.000	0.000	0.000	0.000
367	A	369	TYR	0	-0.035	-0.042	24.283	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	370	THR	0	0.004	0.000	26.872	0.003	0.003	0.000	0.000	0.000	0.000
369	A	371	LEU	0	-0.059	-0.022	26.714	-0.006	-0.006	0.000	0.000	0.000	0.000
370	A	372	ASN	0	-0.008	-0.026	28.687	-0.005	-0.005	0.000	0.000	0.000	0.000
371	A	373	ILE	0	0.009	0.004	23.495	0.000	0.000	0.000	0.000	0.000	0.000
372	A	374	ASN	0	-0.015	-0.009	22.643	-0.011	-0.011	0.000	0.000	0.000	0.000
373	A	375	ALA	0	0.025	0.014	21.887	-0.009	-0.009	0.000	0.000	0.000	0.000
374	A	376	GLU	-1	-0.802	-0.925	22.756	-0.094	-0.094	0.000	0.000	0.000	0.000
375	A	377	MET	0	-0.072	-0.020	18.577	-0.014	-0.014	0.000	0.000	0.000	0.000
376	A	378	ASN	0	-0.047	-0.043	17.886	-0.023	-0.023	0.000	0.000	0.000	0.000
377	A	379	TYR	0	-0.023	-0.024	17.474	-0.015	-0.015	0.000	0.000	0.000	0.000
378	A	380	TRP	0	-0.012	0.011	17.846	-0.018	-0.018	0.000	0.000	0.000	0.000
379	A	381	PRO	0	0.000	0.003	13.002	-0.017	-0.017	0.000	0.000	0.000	0.000
380	A	382	ALA	0	0.007	0.008	14.481	-0.039	-0.039	0.000	0.000	0.000	0.000
381	A	383	GLU	-1	-0.747	-0.835	15.921	-0.239	-0.239	0.000	0.000	0.000	0.000
382	A	384	THR	0	0.060	0.030	15.662	-0.029	-0.029	0.000	0.000	0.000	0.000
383	A	385	CYS	0	-0.002	0.007	10.675	-0.068	-0.068	0.000	0.000	0.000	0.000
384	A	386	ASN	0	-0.037	-0.039	11.572	0.008	0.008	0.000	0.000	0.000	0.000
385	A	387	LEU	0	0.006	0.012	10.810	0.006	0.006	0.000	0.000	0.000	0.000
386	A	388	ALA	0	0.060	0.032	14.848	0.033	0.033	0.000	0.000	0.000	0.000
387	A	389	GLU	-1	-0.892	-0.941	17.361	-0.224	-0.224	0.000	0.000	0.000	0.000
388	A	390	LEU	0	0.014	0.004	14.197	0.020	0.020	0.000	0.000	0.000	0.000
389	A	391	HIS	0	0.048	0.009	18.241	0.020	0.020	0.000	0.000	0.000	0.000
390	A	392	LYS	1	0.902	0.957	20.428	0.160	0.160	0.000	0.000	0.000	0.000
391	A	393	PRO	0	0.010	0.018	21.090	0.008	0.008	0.000	0.000	0.000	0.000
392	A	394	LEU	0	0.024	0.027	22.916	0.011	0.011	0.000	0.000	0.000	0.000
393	A	395	ILE	0	-0.018	-0.011	24.450	0.008	0.008	0.000	0.000	0.000	0.000
394	A	396	HIS	0	-0.010	0.006	26.939	0.006	0.006	0.000	0.000	0.000	0.000
395	A	397	PHE	0	-0.023	-0.011	27.496	0.007	0.007	0.000	0.000	0.000	0.000
396	A	398	ILE	0	0.005	0.003	27.258	0.006	0.006	0.000	0.000	0.000	0.000
397	A	399	GLU	-1	-0.909	-0.965	30.698	-0.076	-0.076	0.000	0.000	0.000	0.000
398	A	400	ARG	1	0.822	0.915	30.881	0.056	0.056	0.000	0.000	0.000	0.000
399	A	401	LEU	0	0.003	0.002	30.911	0.005	0.005	0.000	0.000	0.000	0.000
400	A	402	ALA	0	0.001	0.004	34.525	0.003	0.003	0.000	0.000	0.000	0.000
401	A	403	ALA	0	-0.039	-0.023	36.696	0.003	0.003	0.000	0.000	0.000	0.000
402	A	404	ASN	0	-0.070	-0.046	36.760	0.003	0.003	0.000	0.000	0.000	0.000
403	A	405	GLY	0	0.053	0.017	38.293	0.003	0.003	0.000	0.000	0.000	0.000
404	A	406	LYS	1	0.820	0.901	39.461	0.046	0.046	0.000	0.000	0.000	0.000
405	A	407	LYS	1	0.920	0.975	42.436	0.031	0.031	0.000	0.000	0.000	0.000
406	A	408	THR	0	0.026	0.019	40.998	0.002	0.002	0.000	0.000	0.000	0.000
407	A	409	ALA	0	0.011	0.015	42.801	0.002	0.002	0.000	0.000	0.000	0.000
408	A	410	GLU	-1	-0.887	-0.959	44.456	-0.033	-0.033	0.000	0.000	0.000	0.000
409	A	411	ILE	0	-0.075	-0.037	46.841	0.002	0.002	0.000	0.000	0.000	0.000
410	A	412	ASN	0	0.006	-0.001	44.750	0.001	0.001	0.000	0.000	0.000	0.000
411	A	413	TYR	0	-0.029	-0.059	42.139	0.001	0.001	0.000	0.000	0.000	0.000
412	A	414	GLY	0	-0.043	-0.002	48.087	0.000	0.000	0.000	0.000	0.000	0.000
413	A	415	ALA	0	-0.065	-0.019	46.220	0.000	0.000	0.000	0.000	0.000	0.000
414	A	416	ARG	1	0.830	0.872	46.467	0.042	0.042	0.000	0.000	0.000	0.000
415	A	417	GLY	0	0.036	0.014	42.598	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	418	TRP	0	-0.071	-0.022	32.974	0.002	0.002	0.000	0.000	0.000	0.000
417	A	419	VAL	0	-0.023	-0.001	38.537	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	420	ALA	0	0.050	0.009	34.385	0.001	0.001	0.000	0.000	0.000	0.000
419	A	421	HIS	0	-0.012	0.014	35.487	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	422	HIS	0	0.063	0.024	31.878	-0.004	-0.004	0.000	0.000	0.000	0.000
421	A	423	ASN	0	-0.058	-0.023	30.747	0.004	0.004	0.000	0.000	0.000	0.000
422	A	424	ALA	0	0.057	0.049	30.890	0.001	0.001	0.000	0.000	0.000	0.000
423	A	425	ASP	-1	-0.769	-0.912	30.503	-0.028	-0.028	0.000	0.000	0.000	0.000
424	A	426	LEU	0	0.009	0.023	29.166	-0.004	-0.004	0.000	0.000	0.000	0.000
425	A	427	TRP	0	-0.028	-0.009	31.174	-0.005	-0.005	0.000	0.000	0.000	0.000
426	A	428	GLY	0	0.015	0.018	33.173	-0.002	-0.002	0.000	0.000	0.000	0.000
427	A	429	GLN	0	-0.054	-0.036	34.129	0.001	0.001	0.000	0.000	0.000	0.000
428	A	430	THR	0	0.016	0.005	35.119	-0.003	-0.003	0.000	0.000	0.000	0.000
429	A	431	ALA	0	0.008	0.012	37.469	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	432	PRO	0	-0.005	0.009	38.430	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	433	VAL	0	-0.004	0.014	35.552	0.002	0.002	0.000	0.000	0.000	0.000
432	A	434	GLY	0	0.038	-0.006	38.758	0.000	0.000	0.000	0.000	0.000	0.000
433	A	435	ASP	-1	-0.850	-0.909	40.749	-0.007	-0.007	0.000	0.000	0.000	0.000
434	A	436	PHE	0	-0.061	-0.031	42.950	0.001	0.001	0.000	0.000	0.000	0.000
435	A	437	GLY	0	0.033	0.024	44.773	0.000	0.000	0.000	0.000	0.000	0.000
436	A	438	HIS	0	0.011	0.034	40.548	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	439	GLY	0	0.016	0.001	40.642	0.001	0.001	0.000	0.000	0.000	0.000
438	A	440	ASP	-1	-0.803	-0.890	39.380	-0.014	-0.014	0.000	0.000	0.000	0.000
439	A	441	PRO	0	0.012	0.002	39.565	-0.002	-0.002	0.000	0.000	0.000	0.000
440	A	442	VAL	0	-0.014	-0.004	37.052	-0.003	-0.003	0.000	0.000	0.000	0.000
441	A	443	TRP	0	-0.001	-0.003	34.613	-0.003	-0.003	0.000	0.000	0.000	0.000
442	A	444	ALA	0	-0.015	0.002	36.226	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	445	PHE	0	-0.028	-0.019	38.356	-0.002	-0.002	0.000	0.000	0.000	0.000
444	A	446	TRP	0	0.065	0.039	31.278	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	447	PRO	0	0.022	0.003	36.679	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	448	MET	0	-0.028	-0.005	35.051	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	449	GLY	0	0.090	0.045	31.849	-0.005	-0.005	0.000	0.000	0.000	0.000
448	A	450	GLY	0	-0.032	-0.025	31.652	-0.006	-0.006	0.000	0.000	0.000	0.000
449	A	451	VAL	0	0.032	0.005	33.132	-0.005	-0.005	0.000	0.000	0.000	0.000
450	A	452	TRP	0	0.017	0.026	26.091	-0.003	-0.003	0.000	0.000	0.000	0.000
451	A	453	LEU	0	0.024	0.010	27.043	-0.010	-0.010	0.000	0.000	0.000	0.000
452	A	454	THR	0	-0.052	-0.039	29.022	-0.007	-0.007	0.000	0.000	0.000	0.000
453	A	455	GLN	0	-0.020	-0.029	27.912	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	456	HIS	0	0.003	0.004	21.835	-0.005	-0.005	0.000	0.000	0.000	0.000
455	A	457	LEU	0	-0.028	0.002	25.800	-0.009	-0.009	0.000	0.000	0.000	0.000
456	A	458	TRP	0	0.065	0.026	28.232	-0.003	-0.003	0.000	0.000	0.000	0.000
457	A	459	GLU	-1	-0.759	-0.838	23.692	-0.181	-0.181	0.000	0.000	0.000	0.000
458	A	460	HIS	1	0.803	0.899	22.205	0.157	0.157	0.000	0.000	0.000	0.000
459	A	461	TYR	0	0.000	0.024	24.665	-0.002	-0.002	0.000	0.000	0.000	0.000
460	A	462	THR	0	0.015	-0.029	25.470	-0.010	-0.010	0.000	0.000	0.000	0.000
461	A	463	PHE	0	0.026	0.009	19.694	-0.007	-0.007	0.000	0.000	0.000	0.000
462	A	464	GLY	0	-0.049	-0.031	22.518	-0.016	-0.016	0.000	0.000	0.000	0.000
463	A	465	GLU	-1	-0.849	-0.879	24.644	-0.131	-0.131	0.000	0.000	0.000	0.000
464	A	466	ASP	-1	-0.870	-0.932	27.686	-0.115	-0.115	0.000	0.000	0.000	0.000
465	A	467	GLU	-1	-0.858	-0.933	29.445	-0.086	-0.086	0.000	0.000	0.000	0.000
466	A	468	ALA	0	0.037	0.034	32.682	0.005	0.005	0.000	0.000	0.000	0.000
467	A	469	TYR	0	-0.031	-0.025	28.055	0.003	0.003	0.000	0.000	0.000	0.000
468	A	470	LEU	0	-0.022	-0.017	31.331	0.003	0.003	0.000	0.000	0.000	0.000
469	A	471	ARG	1	0.796	0.870	32.951	0.083	0.083	0.000	0.000	0.000	0.000
470	A	472	ASP	-1	-0.900	-0.954	35.346	-0.073	-0.073	0.000	0.000	0.000	0.000
471	A	473	THR	0	-0.077	-0.039	31.191	0.000	0.000	0.000	0.000	0.000	0.000
472	A	474	ALA	0	-0.011	0.000	30.740	0.003	0.003	0.000	0.000	0.000	0.000
473	A	475	TYR	0	0.017	-0.035	32.570	0.003	0.003	0.000	0.000	0.000	0.000
474	A	476	PRO	0	-0.005	-0.001	35.775	0.004	0.004	0.000	0.000	0.000	0.000
475	A	477	ILE	0	0.031	0.027	33.425	0.004	0.004	0.000	0.000	0.000	0.000
476	A	478	MET	0	-0.041	-0.011	32.955	0.001	0.001	0.000	0.000	0.000	0.000
477	A	479	LYS	1	0.851	0.919	35.753	0.060	0.060	0.000	0.000	0.000	0.000
478	A	480	GLU	-1	-0.839	-0.921	39.378	-0.047	-0.047	0.000	0.000	0.000	0.000
479	A	481	ALA	0	0.005	0.023	36.437	0.003	0.003	0.000	0.000	0.000	0.000
480	A	482	ALA	0	0.063	0.016	38.484	0.003	0.003	0.000	0.000	0.000	0.000
481	A	483	LEU	0	-0.054	-0.038	40.239	0.003	0.003	0.000	0.000	0.000	0.000
482	A	484	PHE	0	0.014	0.028	40.339	0.003	0.003	0.000	0.000	0.000	0.000
483	A	485	CYS	0	-0.056	-0.036	39.567	0.002	0.002	0.000	0.000	0.000	0.000
484	A	486	LEU	0	-0.059	-0.042	42.320	0.002	0.002	0.000	0.000	0.000	0.000
485	A	487	ASP	-1	-0.797	-0.848	45.636	-0.038	-0.038	0.000	0.000	0.000	0.000
486	A	488	TRP	0	-0.052	-0.026	42.143	0.003	0.003	0.000	0.000	0.000	0.000
487	A	489	LEU	0	-0.035	-0.019	43.429	0.001	0.001	0.000	0.000	0.000	0.000
488	A	490	ILE	0	-0.017	-0.011	46.559	0.001	0.001	0.000	0.000	0.000	0.000
489	A	491	GLU	-1	-0.812	-0.883	49.651	-0.036	-0.036	0.000	0.000	0.000	0.000
490	A	492	ASN	0	0.021	0.012	50.895	0.001	0.001	0.000	0.000	0.000	0.000
491	A	493	GLU	-1	-0.921	-0.971	52.919	-0.025	-0.025	0.000	0.000	0.000	0.000
492	A	494	ALA	0	-0.070	-0.026	53.388	0.001	0.001	0.000	0.000	0.000	0.000
493	A	495	GLY	0	-0.001	0.011	54.347	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	496	TYR	0	-0.015	-0.004	48.576	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	497	LEU	0	-0.028	-0.013	46.952	0.002	0.002	0.000	0.000	0.000	0.000
496	A	498	VAL	0	-0.003	-0.013	45.487	-0.002	-0.002	0.000	0.000	0.000	0.000
497	A	499	THR	0	0.005	-0.024	41.371	0.001	0.001	0.000	0.000	0.000	0.000
498	A	500	SER	0	0.034	0.014	44.580	0.002	0.002	0.000	0.000	0.000	0.000
499	A	501	PRO	0	0.025	0.011	44.876	0.000	0.000	0.000	0.000	0.000	0.000
500	A	502	SER	0	-0.080	-0.043	40.924	-0.002	-0.002	0.000	0.000	0.000	0.000
501	A	503	THR	0	0.039	-0.005	38.699	0.001	0.001	0.000	0.000	0.000	0.000
502	A	504	SER	0	-0.028	-0.049	35.047	-0.005	-0.005	0.000	0.000	0.000	0.000
503	A	505	PRO	0	-0.019	-0.010	31.661	0.004	0.004	0.000	0.000	0.000	0.000
504	A	506	GLU	-1	-0.812	-0.899	30.818	-0.028	-0.028	0.000	0.000	0.000	0.000
505	A	507	GLN	0	-0.044	-0.007	34.460	0.006	0.006	0.000	0.000	0.000	0.000
506	A	508	ARG	1	0.781	0.868	36.327	0.014	0.014	0.000	0.000	0.000	0.000
507	A	509	PHE	0	-0.029	-0.015	39.891	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	510	ARG	1	0.855	0.926	41.154	0.013	0.013	0.000	0.000	0.000	0.000
509	A	511	ILE	0	-0.022	-0.016	45.212	-0.002	-0.002	0.000	0.000	0.000	0.000
510	A	512	GLY	0	-0.002	0.020	48.928	0.001	0.001	0.000	0.000	0.000	0.000
511	A	513	GLU	-1	-0.925	-0.990	48.038	-0.007	-0.007	0.000	0.000	0.000	0.000
512	A	514	LYS	1	0.801	0.887	46.830	0.009	0.009	0.000	0.000	0.000	0.000
513	A	515	GLY	0	0.075	0.035	44.339	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	516	TYR	0	-0.118	-0.073	44.502	0.002	0.002	0.000	0.000	0.000	0.000
515	A	517	ALA	0	0.027	0.013	41.242	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	518	VAL	0	-0.055	-0.029	41.991	-0.003	-0.003	0.000	0.000	0.000	0.000
517	A	519	SER	0	0.011	-0.001	43.167	0.001	0.001	0.000	0.000	0.000	0.000
518	A	520	SER	0	0.021	-0.010	45.375	0.000	0.000	0.000	0.000	0.000	0.000
519	A	521	ALA	0	-0.012	0.012	42.432	0.000	0.000	0.000	0.000	0.000	0.000
520	A	522	THR	0	0.005	0.008	38.248	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	523	THR	0	-0.011	-0.034	35.563	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	524	MET	0	-0.031	0.030	30.500	-0.003	-0.003	0.000	0.000	0.000	0.000
523	A	525	ASP	-1	-0.764	-0.831	35.208	-0.050	-0.050	0.000	0.000	0.000	0.000
524	A	526	LEU	0	0.006	0.001	37.868	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	527	SER	0	-0.005	-0.023	33.909	-0.003	-0.003	0.000	0.000	0.000	0.000
526	A	528	LEU	0	-0.026	-0.013	31.061	-0.004	-0.004	0.000	0.000	0.000	0.000
527	A	529	ILE	0	0.015	0.000	34.799	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	530	ALA	0	0.003	0.004	37.563	-0.002	-0.002	0.000	0.000	0.000	0.000
529	A	531	GLU	-1	-0.740	-0.865	30.468	-0.114	-0.114	0.000	0.000	0.000	0.000
530	A	532	CYS	0	-0.031	0.002	34.535	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	533	PHE	0	0.056	0.010	35.507	-0.001	-0.001	0.000	0.000	0.000	0.000
532	A	534	ASP	-1	-0.822	-0.886	35.266	-0.082	-0.082	0.000	0.000	0.000	0.000
533	A	535	ASN	0	-0.038	-0.026	31.074	-0.006	-0.006	0.000	0.000	0.000	0.000
534	A	536	CYS	0	-0.006	0.003	34.229	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	537	ILE	0	-0.022	-0.007	37.155	0.001	0.001	0.000	0.000	0.000	0.000
536	A	538	GLN	0	-0.017	-0.020	35.008	0.006	0.006	0.000	0.000	0.000	0.000
537	A	539	ALA	0	0.019	0.018	34.536	-0.002	-0.002	0.000	0.000	0.000	0.000
538	A	540	ALA	0	0.023	0.011	36.049	0.000	0.000	0.000	0.000	0.000	0.000
539	A	541	LYS	1	0.899	0.944	39.207	0.078	0.078	0.000	0.000	0.000	0.000
540	A	542	ARG	1	0.760	0.859	31.774	0.120	0.120	0.000	0.000	0.000	0.000
541	A	543	LEU	0	0.008	0.011	36.131	-0.001	-0.001	0.000	0.000	0.000	0.000
542	A	544	SER	0	-0.081	-0.032	39.125	0.003	0.003	0.000	0.000	0.000	0.000
543	A	545	ILE	0	0.014	0.013	40.844	0.003	0.003	0.000	0.000	0.000	0.000
544	A	546	ASP	-1	-0.747	-0.837	43.227	-0.061	-0.061	0.000	0.000	0.000	0.000
545	A	547	GLU	-1	-0.854	-0.931	45.336	-0.060	-0.060	0.000	0.000	0.000	0.000
546	A	548	ASP	-1	-0.860	-0.930	47.042	-0.047	-0.047	0.000	0.000	0.000	0.000
547	A	549	PHE	0	0.016	0.014	41.273	0.002	0.002	0.000	0.000	0.000	0.000
548	A	550	VAL	0	0.023	0.003	42.251	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	551	LYS	1	0.790	0.887	44.636	0.048	0.048	0.000	0.000	0.000	0.000
550	A	552	ALA	0	0.018	0.013	47.357	0.000	0.000	0.000	0.000	0.000	0.000
551	A	553	LEU	0	0.007	0.004	40.671	0.000	0.000	0.000	0.000	0.000	0.000
552	A	554	SER	0	-0.018	-0.003	43.914	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	555	ASP	-1	-0.904	-0.964	44.909	-0.049	-0.049	0.000	0.000	0.000	0.000
554	A	556	ALA	0	-0.024	-0.005	45.148	0.002	0.002	0.000	0.000	0.000	0.000
555	A	557	LYS	1	0.831	0.888	38.276	0.075	0.075	0.000	0.000	0.000	0.000
556	A	558	GLN	0	-0.097	-0.056	43.814	0.000	0.000	0.000	0.000	0.000	0.000
557	A	559	ARG	1	0.769	0.855	46.606	0.040	0.040	0.000	0.000	0.000	0.000
558	A	560	LEU	0	-0.017	0.015	41.336	0.002	0.002	0.000	0.000	0.000	0.000
559	A	561	LEU	0	-0.007	0.002	45.209	0.000	0.000	0.000	0.000	0.000	0.000
560	A	562	PRO	0	-0.025	-0.013	43.796	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	563	LEU	0	0.012	0.013	37.351	0.002	0.002	0.000	0.000	0.000	0.000
562	A	564	GLN	0	-0.047	-0.018	41.193	0.002	0.002	0.000	0.000	0.000	0.000
563	A	565	ILE	0	-0.028	-0.021	40.158	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	566	GLY	0	0.031	0.035	41.579	0.002	0.002	0.000	0.000	0.000	0.000
565	A	567	LYS	1	0.797	0.861	43.393	0.026	0.026	0.000	0.000	0.000	0.000
566	A	568	ARG	1	0.868	0.942	38.354	0.029	0.029	0.000	0.000	0.000	0.000
567	A	569	GLY	0	0.001	0.013	40.117	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	570	GLN	0	-0.013	-0.012	37.129	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	571	LEU	0	0.005	0.015	34.200	0.002	0.002	0.000	0.000	0.000	0.000
570	A	572	GLN	0	-0.006	-0.021	37.101	0.001	0.001	0.000	0.000	0.000	0.000
571	A	573	GLU	-1	-0.740	-0.822	34.624	-0.047	-0.047	0.000	0.000	0.000	0.000
572	A	574	TRP	0	0.004	0.000	38.059	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	575	SER	0	-0.002	-0.013	41.536	0.000	0.000	0.000	0.000	0.000	0.000
574	A	576	ASN	0	0.051	0.042	44.580	0.000	0.000	0.000	0.000	0.000	0.000
575	A	577	ASP	-1	-0.773	-0.869	43.365	-0.032	-0.032	0.000	0.000	0.000	0.000
576	A	578	PHE	0	0.009	0.010	43.580	0.002	0.002	0.000	0.000	0.000	0.000
577	A	579	GLU	-1	-0.978	-0.985	42.811	-0.017	-0.017	0.000	0.000	0.000	0.000
578	A	580	ASP	-1	-0.872	-0.945	37.003	-0.031	-0.031	0.000	0.000	0.000	0.000
579	A	581	GLU	-1	-0.883	-0.952	39.337	-0.010	-0.010	0.000	0.000	0.000	0.000
580	A	582	ASP	-1	-0.819	-0.915	33.691	-0.011	-0.011	0.000	0.000	0.000	0.000
581	A	583	VAL	0	-0.032	-0.020	35.511	-0.004	-0.004	0.000	0.000	0.000	0.000
582	A	584	HIS	1	0.785	0.881	31.345	0.017	0.017	0.000	0.000	0.000	0.000
583	A	585	HIS	0	0.014	0.035	30.701	0.003	0.003	0.000	0.000	0.000	0.000
584	A	586	ARG	1	0.832	0.919	27.011	0.013	0.013	0.000	0.000	0.000	0.000
585	A	587	HIS	0	0.045	0.037	27.072	-0.005	-0.005	0.000	0.000	0.000	0.000
586	A	588	VAL	0	-0.007	-0.004	26.752	0.004	0.004	0.000	0.000	0.000	0.000
587	A	589	SER	0	0.088	0.028	29.642	-0.008	-0.008	0.000	0.000	0.000	0.000
588	A	590	HIS	0	0.019	0.014	31.227	-0.007	-0.007	0.000	0.000	0.000	0.000
589	A	591	LEU	0	0.021	0.003	28.698	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	592	VAL	0	0.034	0.020	28.231	-0.009	-0.009	0.000	0.000	0.000	0.000
591	A	593	GLY	0	-0.017	-0.012	28.800	-0.007	-0.007	0.000	0.000	0.000	0.000
592	A	594	ILE	0	-0.065	-0.006	26.945	-0.002	-0.002	0.000	0.000	0.000	0.000
593	A	595	TYR	0	0.049	0.028	19.523	-0.013	-0.013	0.000	0.000	0.000	0.000
594	A	596	PRO	0	-0.005	0.001	23.178	0.010	0.010	0.000	0.000	0.000	0.000
595	A	597	GLY	0	0.018	0.003	24.755	-0.008	-0.008	0.000	0.000	0.000	0.000
596	A	598	ARG	1	0.862	0.914	27.699	0.121	0.121	0.000	0.000	0.000	0.000
597	A	599	LEU	0	-0.017	0.007	29.705	0.002	0.002	0.000	0.000	0.000	0.000
598	A	600	ILE	0	-0.033	-0.001	32.108	0.005	0.005	0.000	0.000	0.000	0.000
599	A	601	THR	0	0.025	0.001	29.528	-0.007	-0.007	0.000	0.000	0.000	0.000
600	A	602	GLU	-1	-0.898	-0.948	31.412	-0.100	-0.100	0.000	0.000	0.000	0.000
601	A	603	GLN	0	0.003	-0.011	31.649	0.001	0.001	0.000	0.000	0.000	0.000
602	A	604	SER	0	-0.059	-0.024	34.439	0.004	0.004	0.000	0.000	0.000	0.000
603	A	605	ALA	0	0.017	-0.004	35.844	0.006	0.006	0.000	0.000	0.000	0.000
604	A	606	PRO	0	0.053	0.036	35.856	0.001	0.001	0.000	0.000	0.000	0.000
605	A	607	ASN	0	-0.029	-0.022	36.640	-0.001	-0.001	0.000	0.000	0.000	0.000
606	A	608	LEU	0	0.039	0.010	37.016	0.002	0.002	0.000	0.000	0.000	0.000
607	A	609	PHE	0	0.020	0.032	28.550	0.000	0.000	0.000	0.000	0.000	0.000
608	A	610	GLU	-1	-0.771	-0.881	33.022	-0.082	-0.082	0.000	0.000	0.000	0.000
609	A	611	ALA	0	0.016	0.028	34.930	0.003	0.003	0.000	0.000	0.000	0.000
610	A	612	ALA	0	-0.001	-0.004	31.970	0.003	0.003	0.000	0.000	0.000	0.000
611	A	613	LYS	1	0.837	0.910	29.523	0.089	0.089	0.000	0.000	0.000	0.000
612	A	614	THR	0	-0.030	-0.020	31.497	0.003	0.003	0.000	0.000	0.000	0.000
613	A	615	SER	0	-0.032	-0.044	33.704	0.005	0.005	0.000	0.000	0.000	0.000
614	A	616	LEU	0	-0.021	0.007	25.875	0.004	0.004	0.000	0.000	0.000	0.000
615	A	617	GLU	-1	-0.815	-0.883	29.878	-0.054	-0.054	0.000	0.000	0.000	0.000
616	A	618	ILE	0	-0.117	-0.050	31.286	0.007	0.007	0.000	0.000	0.000	0.000
617	A	619	ARG	1	0.745	0.848	30.318	0.046	0.046	0.000	0.000	0.000	0.000
618	A	620	GLY	0	0.015	0.026	29.152	0.005	0.005	0.000	0.000	0.000	0.000
619	A	621	ASP	-1	-0.818	-0.907	23.805	-0.069	-0.069	0.000	0.000	0.000	0.000
620	A	622	GLU	-1	-0.869	-0.934	23.686	0.002	0.002	0.000	0.000	0.000	0.000
621	A	623	GLY	0	0.008	-0.001	24.475	-0.008	-0.008	0.000	0.000	0.000	0.000
622	A	624	THR	0	0.055	0.034	22.970	0.003	0.003	0.000	0.000	0.000	0.000
623	A	625	GLY	0	0.023	0.011	18.647	-0.008	-0.008	0.000	0.000	0.000	0.000
624	A	626	TRP	0	0.035	0.007	18.661	-0.020	-0.020	0.000	0.000	0.000	0.000
625	A	627	SER	0	-0.044	-0.027	20.373	-0.015	-0.015	0.000	0.000	0.000	0.000
626	A	628	LEU	0	-0.006	-0.004	18.984	-0.011	-0.011	0.000	0.000	0.000	0.000
627	A	629	GLY	0	0.061	0.014	17.459	-0.017	-0.017	0.000	0.000	0.000	0.000
628	A	630	TRP	0	-0.011	-0.034	18.225	-0.017	-0.017	0.000	0.000	0.000	0.000
629	A	631	LYS	1	0.847	0.918	21.481	0.040	0.040	0.000	0.000	0.000	0.000
630	A	632	ILE	0	-0.003	0.014	15.440	-0.007	-0.007	0.000	0.000	0.000	0.000
631	A	633	SER	0	0.042	0.013	18.873	-0.019	-0.019	0.000	0.000	0.000	0.000
632	A	634	LEU	0	-0.037	-0.003	20.242	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	635	TRP	0	-0.007	-0.021	22.048	-0.002	-0.002	0.000	0.000	0.000	0.000
634	A	636	ALA	0	0.028	0.003	19.128	-0.002	-0.002	0.000	0.000	0.000	0.000
635	A	637	ARG	1	0.688	0.852	21.182	0.168	0.168	0.000	0.000	0.000	0.000
636	A	638	PHE	0	-0.027	-0.027	24.357	0.004	0.004	0.000	0.000	0.000	0.000
637	A	639	LYS	1	0.836	0.935	23.328	0.175	0.175	0.000	0.000	0.000	0.000
638	A	640	ASP	-1	-0.782	-0.879	23.558	-0.113	-0.113	0.000	0.000	0.000	0.000
639	A	641	GLY	0	0.087	0.022	19.466	0.000	0.000	0.000	0.000	0.000	0.000
640	A	642	ASN	0	-0.045	-0.042	18.827	-0.015	-0.015	0.000	0.000	0.000	0.000
641	A	643	ARG	1	0.689	0.807	20.484	0.086	0.086	0.000	0.000	0.000	0.000
642	A	644	CYS	0	-0.035	-0.005	17.219	0.011	0.011	0.000	0.000	0.000	0.000
643	A	645	GLU	-1	-0.812	-0.865	14.675	-0.169	-0.169	0.000	0.000	0.000	0.000
644	A	646	ARG	1	0.819	0.909	17.017	0.105	0.105	0.000	0.000	0.000	0.000
645	A	647	LEU	0	0.011	0.016	19.249	0.020	0.020	0.000	0.000	0.000	0.000
646	A	648	LEU	0	0.006	0.011	11.346	0.012	0.012	0.000	0.000	0.000	0.000
647	A	649	SER	0	-0.058	-0.056	14.825	0.041	0.041	0.000	0.000	0.000	0.000
648	A	650	ASN	0	-0.043	-0.010	16.585	0.036	0.036	0.000	0.000	0.000	0.000
649	A	651	MET	0	-0.030	0.005	14.486	0.016	0.016	0.000	0.000	0.000	0.000
650	A	652	LEU	0	-0.061	-0.022	10.103	0.028	0.028	0.000	0.000	0.000	0.000
651	A	653	THR	0	-0.004	-0.011	14.121	0.050	0.050	0.000	0.000	0.000	0.000
652	A	654	LEU	0	-0.062	-0.030	15.272	-0.004	-0.004	0.000	0.000	0.000	0.000
653	A	655	ILE	0	-0.057	-0.018	17.142	-0.019	-0.019	0.000	0.000	0.000	0.000
654	A	656	LYS	1	0.873	0.920	18.318	-0.240	-0.240	0.000	0.000	0.000	0.000
655	A	657	GLU	-1	-0.791	-0.890	21.344	0.119	0.119	0.000	0.000	0.000	0.000
656	A	658	ASP	-1	-0.922	-0.949	23.979	0.114	0.114	0.000	0.000	0.000	0.000
657	A	659	GLU	-1	-0.847	-0.899	24.582	0.067	0.067	0.000	0.000	0.000	0.000
658	A	660	SER	0	-0.023	-0.007	26.535	-0.009	-0.009	0.000	0.000	0.000	0.000
659	A	661	MET	0	-0.040	-0.035	27.258	-0.011	-0.011	0.000	0.000	0.000	0.000
660	A	662	GLN	0	0.041	0.005	26.940	0.002	0.002	0.000	0.000	0.000	0.000
661	A	663	HIS	0	-0.082	-0.041	26.157	-0.009	-0.009	0.000	0.000	0.000	0.000
662	A	664	ARG	1	0.875	0.944	21.818	-0.095	-0.095	0.000	0.000	0.000	0.000
663	A	665	GLY	0	0.044	0.013	20.810	0.007	0.007	0.000	0.000	0.000	0.000
664	A	666	GLY	0	-0.034	-0.015	17.452	0.010	0.010	0.000	0.000	0.000	0.000
665	A	667	VAL	0	-0.032	-0.007	12.150	-0.019	-0.019	0.000	0.000	0.000	0.000
666	A	668	TYR	0	0.048	0.017	15.183	0.016	0.016	0.000	0.000	0.000	0.000
667	A	669	ALA	0	0.020	-0.009	13.949	0.033	0.033	0.000	0.000	0.000	0.000
668	A	670	ASN	0	-0.050	-0.021	11.667	0.082	0.082	0.000	0.000	0.000	0.000
669	A	671	LEU	0	0.009	0.008	6.932	-0.028	-0.028	0.000	0.000	0.000	0.000
670	A	672	PHE	0	0.018	0.019	11.141	-0.068	-0.068	0.000	0.000	0.000	0.000
671	A	673	GLY	0	0.024	0.021	13.648	0.018	0.018	0.000	0.000	0.000	0.000
672	A	674	ALA	0	0.010	-0.007	15.578	0.009	0.009	0.000	0.000	0.000	0.000
673	A	675	HIS	0	-0.030	0.000	18.934	-0.022	-0.022	0.000	0.000	0.000	0.000
674	A	676	PRO	0	0.017	0.014	22.286	-0.004	-0.004	0.000	0.000	0.000	0.000
675	A	677	PRO	0	0.031	0.004	23.336	-0.007	-0.007	0.000	0.000	0.000	0.000
676	A	678	PHE	0	0.048	-0.004	16.249	-0.002	-0.002	0.000	0.000	0.000	0.000
677	A	679	GLN	0	-0.014	-0.012	19.039	-0.014	-0.014	0.000	0.000	0.000	0.000
678	A	680	ILE	0	-0.020	-0.005	14.726	0.002	0.002	0.000	0.000	0.000	0.000
679	A	681	ASP	-1	-0.772	-0.880	15.620	-0.071	-0.071	0.000	0.000	0.000	0.000
680	A	682	GLY	0	0.026	0.020	16.274	-0.024	-0.024	0.000	0.000	0.000	0.000
681	A	683	ASN	0	-0.034	-0.027	10.662	-0.005	-0.005	0.000	0.000	0.000	0.000
682	A	684	PHE	0	0.006	0.009	11.976	-0.057	-0.057	0.000	0.000	0.000	0.000
683	A	685	SER	0	-0.005	-0.022	14.077	-0.037	-0.037	0.000	0.000	0.000	0.000
684	A	686	ALA	0	0.021	0.016	11.440	-0.022	-0.022	0.000	0.000	0.000	0.000
685	A	687	THR	0	-0.056	-0.044	8.926	-0.018	-0.018	0.000	0.000	0.000	0.000
686	A	688	ALA	0	-0.003	-0.009	11.199	-0.053	-0.053	0.000	0.000	0.000	0.000
687	A	689	GLY	0	0.038	0.021	14.820	-0.006	-0.006	0.000	0.000	0.000	0.000
688	A	690	ILE	0	-0.001	-0.019	9.279	-0.004	-0.004	0.000	0.000	0.000	0.000
689	A	691	ALA	0	-0.018	-0.005	12.788	-0.039	-0.039	0.000	0.000	0.000	0.000
690	A	692	GLU	-1	-0.798	-0.894	14.008	-0.225	-0.225	0.000	0.000	0.000	0.000
691	A	693	MET	0	-0.001	0.011	14.752	0.031	0.031	0.000	0.000	0.000	0.000
692	A	694	LEU	0	-0.048	-0.020	11.851	0.008	0.008	0.000	0.000	0.000	0.000
693	A	695	LEU	0	-0.016	-0.013	16.226	0.014	0.014	0.000	0.000	0.000	0.000
694	A	696	GLN	0	-0.008	0.002	18.308	0.029	0.029	0.000	0.000	0.000	0.000
695	A	697	SER	0	0.039	0.015	21.330	0.009	0.009	0.000	0.000	0.000	0.000
696	A	698	HIS	0	-0.053	-0.027	23.756	0.019	0.019	0.000	0.000	0.000	0.000
697	A	699	GLN	0	-0.004	-0.018	26.239	0.004	0.004	0.000	0.000	0.000	0.000
698	A	700	GLY	0	-0.018	0.002	28.292	0.009	0.009	0.000	0.000	0.000	0.000
699	A	701	TYR	0	0.006	0.015	26.984	0.006	0.006	0.000	0.000	0.000	0.000
700	A	702	LEU	0	-0.031	-0.032	22.186	-0.009	-0.009	0.000	0.000	0.000	0.000
701	A	703	GLU	-1	-0.786	-0.890	23.350	-0.180	-0.180	0.000	0.000	0.000	0.000
702	A	704	PHE	0	0.015	-0.010	19.610	-0.024	-0.024	0.000	0.000	0.000	0.000
703	A	705	LEU	0	-0.045	-0.024	16.955	0.020	0.020	0.000	0.000	0.000	0.000
704	A	706	PRO	0	-0.039	0.002	18.964	0.023	0.023	0.000	0.000	0.000	0.000
705	A	707	ALA	0	0.013	0.000	19.252	0.030	0.030	0.000	0.000	0.000	0.000
706	A	708	LEU	0	-0.004	0.013	15.387	-0.021	-0.021	0.000	0.000	0.000	0.000
707	A	709	PRO	0	-0.020	-0.002	15.401	0.033	0.033	0.000	0.000	0.000	0.000
708	A	710	ASP	-1	-0.870	-0.927	18.045	-0.150	-0.150	0.000	0.000	0.000	0.000
709	A	711	SER	0	-0.083	-0.084	16.615	-0.008	-0.008	0.000	0.000	0.000	0.000
710	A	712	TRP	0	-0.009	-0.013	11.742	-0.060	-0.060	0.000	0.000	0.000	0.000
711	A	713	LYS	1	0.860	0.939	15.104	0.119	0.119	0.000	0.000	0.000	0.000
712	A	714	ASP	-1	-0.842	-0.932	15.405	-0.212	-0.212	0.000	0.000	0.000	0.000
713	A	715	GLY	0	0.023	0.022	12.437	-0.042	-0.042	0.000	0.000	0.000	0.000
714	A	716	TYR	0	-0.050	-0.039	7.563	0.235	0.235	0.000	0.000	0.000	0.000
715	A	717	VAL	0	0.010	0.008	9.212	-0.193	-0.193	0.000	0.000	0.000	0.000
716	A	718	LYS	1	0.905	0.957	9.870	0.975	0.975	0.000	0.000	0.000	0.000
717	A	719	GLY	0	0.079	0.039	10.548	-0.093	-0.093	0.000	0.000	0.000	0.000
718	A	720	LEU	0	0.018	0.025	11.447	0.016	0.016	0.000	0.000	0.000	0.000
719	A	721	ARG	1	0.789	0.878	14.128	0.326	0.326	0.000	0.000	0.000	0.000
720	A	722	GLY	0	-0.011	-0.013	17.622	-0.006	-0.006	0.000	0.000	0.000	0.000
721	A	723	ARG	1	0.786	0.860	20.796	0.219	0.219	0.000	0.000	0.000	0.000
722	A	724	GLY	0	0.043	0.020	24.250	0.000	0.000	0.000	0.000	0.000	0.000
723	A	725	GLY	0	-0.023	0.014	24.099	0.007	0.007	0.000	0.000	0.000	0.000
724	A	726	TYR	0	0.028	0.012	22.017	0.003	0.003	0.000	0.000	0.000	0.000
725	A	727	GLU	-1	-0.899	-0.948	16.655	-0.381	-0.381	0.000	0.000	0.000	0.000
726	A	728	VAL	0	-0.023	-0.014	16.874	0.026	0.026	0.000	0.000	0.000	0.000
727	A	729	ASP	-1	-0.796	-0.869	14.021	-0.577	-0.577	0.000	0.000	0.000	0.000
728	A	730	LEU	0	-0.015	-0.010	14.437	0.073	0.073	0.000	0.000	0.000	0.000
729	A	731	ALA	0	0.025	0.007	14.232	-0.088	-0.088	0.000	0.000	0.000	0.000
730	A	732	TRP	0	-0.011	-0.013	12.090	0.049	0.049	0.000	0.000	0.000	0.000
731	A	733	THR	0	0.029	0.003	17.033	-0.019	-0.019	0.000	0.000	0.000	0.000
732	A	734	ASN	0	-0.009	-0.024	19.499	0.023	0.023	0.000	0.000	0.000	0.000
733	A	735	GLY	0	0.007	0.008	19.674	0.024	0.024	0.000	0.000	0.000	0.000
734	A	736	ALA	0	0.002	0.010	20.629	0.000	0.000	0.000	0.000	0.000	0.000
735	A	737	LEU	0	0.051	0.030	19.169	-0.013	-0.013	0.000	0.000	0.000	0.000
736	A	738	VAL	0	-0.071	-0.026	18.956	0.033	0.033	0.000	0.000	0.000	0.000
737	A	739	LYS	1	0.819	0.894	18.770	0.332	0.332	0.000	0.000	0.000	0.000
738	A	740	VAL	0	0.033	0.023	19.006	-0.032	-0.032	0.000	0.000	0.000	0.000
739	A	741	GLU	-1	-0.872	-0.902	18.284	-0.321	-0.321	0.000	0.000	0.000	0.000
740	A	742	ILE	0	0.042	0.020	19.161	-0.026	-0.026	0.000	0.000	0.000	0.000
741	A	743	VAL	0	0.012	0.016	20.701	0.021	0.021	0.000	0.000	0.000	0.000
742	A	744	SER	0	0.069	0.024	22.488	-0.009	-0.009	0.000	0.000	0.000	0.000
743	A	745	THR	0	-0.059	-0.045	23.287	0.014	0.014	0.000	0.000	0.000	0.000
744	A	746	LYS	1	0.846	0.905	25.941	0.148	0.148	0.000	0.000	0.000	0.000
745	A	747	THR	0	0.033	0.026	29.417	-0.009	-0.009	0.000	0.000	0.000	0.000
746	A	748	GLN	0	-0.085	-0.036	27.973	0.015	0.015	0.000	0.000	0.000	0.000
747	A	749	THR	0	0.012	-0.009	32.244	0.000	0.000	0.000	0.000	0.000	0.000
748	A	750	CYS	0	-0.065	-0.011	26.669	-0.008	-0.008	0.000	0.000	0.000	0.000
749	A	751	GLU	-1	-0.799	-0.904	28.808	-0.119	-0.119	0.000	0.000	0.000	0.000
750	A	752	VAL	0	-0.024	-0.011	25.222	-0.014	-0.014	0.000	0.000	0.000	0.000
751	A	753	LEU	0	0.010	0.010	25.796	0.014	0.014	0.000	0.000	0.000	0.000
752	A	754	THR	0	0.003	0.010	24.276	-0.020	-0.020	0.000	0.000	0.000	0.000
753	A	755	ARG	1	0.827	0.909	23.495	0.201	0.201	0.000	0.000	0.000	0.000
754	A	756	ILE	0	-0.036	-0.022	24.785	0.010	0.010	0.000	0.000	0.000	0.000
755	A	757	SER	0	0.027	0.016	28.289	-0.006	-0.006	0.000	0.000	0.000	0.000
756	A	758	MET	0	-0.012	0.012	23.380	-0.005	-0.005	0.000	0.000	0.000	0.000
757	A	759	ARG	1	0.881	0.948	28.405	0.136	0.136	0.000	0.000	0.000	0.000
758	A	760	ILE	0	0.040	0.009	27.937	-0.016	-0.016	0.000	0.000	0.000	0.000
759	A	761	THR	0	-0.033	-0.020	27.233	0.009	0.009	0.000	0.000	0.000	0.000
760	A	762	GLU	-1	-0.791	-0.880	27.468	-0.161	-0.161	0.000	0.000	0.000	0.000
761	A	763	SER	0	-0.055	-0.039	27.690	0.013	0.013	0.000	0.000	0.000	0.000
762	A	764	GLY	0	-0.081	-0.043	29.073	0.003	0.003	0.000	0.000	0.000	0.000
763	A	765	GLU	-1	-0.900	-0.925	30.957	-0.102	-0.102	0.000	0.000	0.000	0.000
764	A	766	GLU	-1	-0.918	-0.965	31.606	-0.119	-0.119	0.000	0.000	0.000	0.000
765	A	767	VAL	0	-0.034	-0.016	30.920	0.003	0.003	0.000	0.000	0.000	0.000
766	A	768	GLU	-1	-0.916	-0.961	33.191	-0.106	-0.106	0.000	0.000	0.000	0.000
767	A	769	GLY	0	0.010	-0.021	33.324	-0.007	-0.007	0.000	0.000	0.000	0.000
768	A	770	ASP	-1	-0.966	-0.955	34.164	-0.096	-0.096	0.000	0.000	0.000	0.000
769	A	771	VAL	0	-0.026	-0.028	34.102	-0.005	-0.005	0.000	0.000	0.000	0.000
770	A	772	LEU	0	-0.050	-0.018	33.960	0.008	0.008	0.000	0.000	0.000	0.000
771	A	773	ASP	-1	-0.802	-0.898	35.303	-0.099	-0.099	0.000	0.000	0.000	0.000
772	A	774	SER	0	-0.063	-0.037	32.757	-0.006	-0.006	0.000	0.000	0.000	0.000
773	A	775	GLY	0	-0.007	0.005	30.917	-0.007	-0.007	0.000	0.000	0.000	0.000
774	A	776	ARG	1	0.816	0.883	29.827	0.105	0.105	0.000	0.000	0.000	0.000
775	A	777	MET	0	-0.027	-0.009	29.290	0.010	0.010	0.000	0.000	0.000	0.000
776	A	778	SER	0	-0.021	0.000	30.432	-0.008	-0.008	0.000	0.000	0.000	0.000
777	A	779	PHE	0	0.043	0.011	26.360	0.003	0.003	0.000	0.000	0.000	0.000
778	A	780	GLN	0	0.038	0.040	31.978	-0.005	-0.005	0.000	0.000	0.000	0.000
779	A	781	VAL	0	0.011	0.014	27.526	-0.006	-0.006	0.000	0.000	0.000	0.000
780	A	782	GLU	-1	-0.816	-0.909	30.093	-0.120	-0.120	0.000	0.000	0.000	0.000
781	A	783	LYS	1	0.850	0.907	28.408	0.139	0.139	0.000	0.000	0.000	0.000
782	A	784	GLY	0	-0.040	-0.021	25.409	0.007	0.007	0.000	0.000	0.000	0.000
783	A	785	LYS	1	0.787	0.891	25.283	0.123	0.123	0.000	0.000	0.000	0.000
784	A	786	ARG	1	0.788	0.861	17.208	0.343	0.343	0.000	0.000	0.000	0.000
785	A	787	TYR	0	0.044	0.031	24.145	0.007	0.007	0.000	0.000	0.000	0.000
786	A	788	VAL	0	-0.034	-0.030	22.301	-0.028	-0.028	0.000	0.000	0.000	0.000
787	A	789	LEU	0	0.017	0.020	23.122	0.019	0.019	0.000	0.000	0.000	0.000
788	A	790	ASN	0	-0.023	-0.028	23.231	-0.013	-0.013	0.000	0.000	0.000	0.000
789	A	791	ARG	1	0.806	0.885	22.718	0.219	0.219	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:3:LEU)