FMO DATABASE

FMODB ID: 377GL

Calculation Name: 5BP1-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5BP1

Chain ID: A

ChEMBL ID:

UniProt ID: A0R1E8

Base Structure: X-ray

Registration Date: 2023-09-27

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	817
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-18562682.531355
FMO2-HF: Nuclear repulsion	18259763.451715
FMO2-HF: Total energy	-302919.07964
FMO2-MP2: Total energy	-303799.709125

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:4:ASN)

Summations of interaction energy for fragment #1(A:4:ASN)

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.
-27.23	-19.586	6.147	-5.494	-8.294	-0.029

Interaction energy analysis for fragmet #1(A:4:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.027 / q_NPA : -0.008

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	6	VAL	0	-0.002	0.011	3.638	0.126	2.820	-0.006	-1.255	-1.433	0.006
4	A	7	ALA	0	0.050	0.027	3.367	-4.610	-4.095	0.012	-0.313	-0.214	-0.002
5	A	8	PRO	0	-0.037	-0.008	4.455	0.180	0.256	-0.001	-0.003	-0.071	0.000
6	A	9	VAL	0	0.049	0.019	6.313	0.770	0.770	0.000	0.000	0.000	0.000
7	A	10	ALA	0	-0.021	-0.003	9.921	0.082	0.082	0.000	0.000	0.000	0.000
8	A	11	ILE	0	-0.002	-0.009	12.813	0.090	0.090	0.000	0.000	0.000	0.000
9	A	12	ILE	0	0.055	0.024	15.822	0.071	0.071	0.000	0.000	0.000	0.000
10	A	13	GLY	0	0.044	0.031	18.712	0.104	0.104	0.000	0.000	0.000	0.000
11	A	14	MET	0	-0.082	-0.022	20.705	-0.082	-0.082	0.000	0.000	0.000	0.000
12	A	15	ALA	0	0.031	0.036	22.935	0.045	0.045	0.000	0.000	0.000	0.000
13	A	16	CYS	0	-0.067	-0.047	25.925	-0.022	-0.022	0.000	0.000	0.000	0.000
14	A	17	ARG	1	0.941	0.983	28.352	0.353	0.353	0.000	0.000	0.000	0.000
15	A	18	LEU	0	-0.017	-0.018	28.368	-0.006	-0.006	0.000	0.000	0.000	0.000
16	A	19	PRO	0	0.007	-0.002	32.693	0.012	0.012	0.000	0.000	0.000	0.000
17	A	20	GLY	0	0.039	0.012	35.387	-0.006	-0.006	0.000	0.000	0.000	0.000
18	A	21	ALA	0	0.002	0.010	37.512	0.000	0.000	0.000	0.000	0.000	0.000
19	A	22	ILE	0	-0.041	0.008	31.301	-0.007	-0.007	0.000	0.000	0.000	0.000
20	A	23	ASN	0	0.025	-0.002	32.492	-0.023	-0.023	0.000	0.000	0.000	0.000
21	A	24	SER	0	0.029	0.003	29.725	-0.010	-0.010	0.000	0.000	0.000	0.000
22	A	25	PRO	0	0.074	0.024	25.285	0.019	0.019	0.000	0.000	0.000	0.000
23	A	26	GLN	0	-0.025	-0.007	27.368	-0.013	-0.013	0.000	0.000	0.000	0.000
24	A	27	GLN	0	0.025	0.007	29.767	0.024	0.024	0.000	0.000	0.000	0.000
25	A	28	LEU	0	0.041	0.025	26.197	0.017	0.017	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.018	-0.022	25.374	0.010	0.010	0.000	0.000	0.000	0.000
27	A	30	GLU	-1	-0.918	-0.973	28.983	-0.243	-0.243	0.000	0.000	0.000	0.000
28	A	31	ALA	0	0.000	0.002	32.406	0.020	0.020	0.000	0.000	0.000	0.000
29	A	32	LEU	0	-0.033	-0.021	26.937	0.012	0.012	0.000	0.000	0.000	0.000
30	A	33	LEU	0	-0.027	-0.010	30.234	0.017	0.017	0.000	0.000	0.000	0.000
31	A	34	ARG	1	0.781	0.891	32.453	0.240	0.240	0.000	0.000	0.000	0.000
32	A	35	GLY	0	-0.014	0.016	33.888	0.015	0.015	0.000	0.000	0.000	0.000
33	A	36	ASP	-1	-0.821	-0.905	34.911	-0.197	-0.197	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.826	-0.921	34.804	-0.196	-0.196	0.000	0.000	0.000	0.000
35	A	38	PHE	0	-0.013	-0.011	33.694	0.006	0.006	0.000	0.000	0.000	0.000
36	A	39	VAL	0	-0.058	-0.010	35.748	-0.003	-0.003	0.000	0.000	0.000	0.000
37	A	40	THR	0	-0.015	-0.010	38.195	0.009	0.009	0.000	0.000	0.000	0.000
38	A	41	GLU	-1	-0.965	-0.986	41.748	-0.123	-0.123	0.000	0.000	0.000	0.000
39	A	42	ILE	0	-0.035	-0.017	43.298	-0.006	-0.006	0.000	0.000	0.000	0.000
40	A	43	PRO	0	0.049	0.039	43.155	0.008	0.008	0.000	0.000	0.000	0.000
41	A	44	THR	0	-0.032	-0.034	46.128	0.001	0.001	0.000	0.000	0.000	0.000
42	A	45	GLY	0	-0.014	-0.001	47.707	0.004	0.004	0.000	0.000	0.000	0.000
43	A	46	ARG	1	0.867	0.944	40.043	0.213	0.213	0.000	0.000	0.000	0.000
44	A	66	LYS	1	0.951	0.954	42.919	0.112	0.112	0.000	0.000	0.000	0.000
45	A	67	TRP	0	0.023	0.020	40.508	0.002	0.002	0.000	0.000	0.000	0.000
46	A	68	GLY	0	0.021	-0.004	37.760	-0.003	-0.003	0.000	0.000	0.000	0.000
47	A	69	ALA	0	0.021	0.036	34.918	0.007	0.007	0.000	0.000	0.000	0.000
48	A	70	PHE	0	-0.016	-0.021	36.244	-0.013	-0.013	0.000	0.000	0.000	0.000
49	A	71	LEU	0	-0.015	-0.012	33.966	-0.001	-0.001	0.000	0.000	0.000	0.000
50	A	72	ASP	-1	-0.901	-0.957	37.936	-0.212	-0.212	0.000	0.000	0.000	0.000
51	A	73	ASP	-1	-0.840	-0.943	39.953	-0.205	-0.205	0.000	0.000	0.000	0.000
52	A	74	PRO	0	-0.070	-0.028	37.809	-0.011	-0.011	0.000	0.000	0.000	0.000
53	A	75	ALA	0	-0.028	-0.015	38.478	-0.011	-0.011	0.000	0.000	0.000	0.000
54	A	76	ALA	0	-0.022	0.008	39.997	0.004	0.004	0.000	0.000	0.000	0.000
55	A	77	PHE	0	-0.043	-0.033	36.284	-0.015	-0.015	0.000	0.000	0.000	0.000
56	A	78	ASP	-1	-0.702	-0.832	39.122	-0.244	-0.244	0.000	0.000	0.000	0.000
57	A	79	PRO	0	-0.033	-0.021	39.964	-0.011	-0.011	0.000	0.000	0.000	0.000
58	A	80	GLU	-1	-0.902	-0.954	41.517	-0.213	-0.213	0.000	0.000	0.000	0.000
59	A	81	PHE	0	-0.018	-0.003	35.115	0.001	0.001	0.000	0.000	0.000	0.000
60	A	82	PHE	0	-0.036	-0.023	33.765	-0.015	-0.015	0.000	0.000	0.000	0.000
61	A	83	GLY	0	-0.012	0.011	38.696	-0.003	-0.003	0.000	0.000	0.000	0.000
62	A	84	ILE	0	-0.065	-0.030	38.372	0.005	0.005	0.000	0.000	0.000	0.000
63	A	85	THR	0	0.022	0.000	42.854	0.008	0.008	0.000	0.000	0.000	0.000
64	A	86	GLU	-1	-0.828	-0.938	45.063	-0.192	-0.192	0.000	0.000	0.000	0.000
65	A	87	ARG	1	0.898	0.941	46.406	0.160	0.160	0.000	0.000	0.000	0.000
66	A	88	GLU	-1	-0.918	-0.950	42.303	-0.239	-0.239	0.000	0.000	0.000	0.000
67	A	89	ALA	0	0.039	0.017	41.788	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	90	ALA	0	-0.002	0.002	42.183	-0.008	-0.008	0.000	0.000	0.000	0.000
69	A	91	ALA	0	-0.037	-0.020	44.218	0.001	0.001	0.000	0.000	0.000	0.000
70	A	92	ILE	0	-0.086	-0.025	37.726	-0.007	-0.007	0.000	0.000	0.000	0.000
71	A	93	ASP	-1	-0.820	-0.919	36.379	-0.288	-0.288	0.000	0.000	0.000	0.000
72	A	94	PRO	0	0.066	0.018	37.145	-0.016	-0.016	0.000	0.000	0.000	0.000
73	A	95	GLN	0	-0.012	-0.011	32.852	-0.027	-0.027	0.000	0.000	0.000	0.000
74	A	96	HIS	0	0.015	-0.009	32.765	-0.023	-0.023	0.000	0.000	0.000	0.000
75	A	97	ARG	1	0.860	0.947	33.307	0.235	0.235	0.000	0.000	0.000	0.000
76	A	98	LEU	0	0.056	0.035	32.767	-0.010	-0.010	0.000	0.000	0.000	0.000
77	A	99	LEU	0	-0.025	0.000	27.715	-0.022	-0.022	0.000	0.000	0.000	0.000
78	A	100	LEU	0	-0.026	-0.002	29.516	-0.028	-0.028	0.000	0.000	0.000	0.000
79	A	101	GLU	-1	-0.717	-0.838	31.288	-0.323	-0.323	0.000	0.000	0.000	0.000
80	A	102	THR	0	-0.006	-0.023	27.436	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	103	ALA	0	-0.010	-0.017	26.451	-0.031	-0.031	0.000	0.000	0.000	0.000
82	A	104	TRP	0	0.046	0.021	26.941	-0.035	-0.035	0.000	0.000	0.000	0.000
83	A	105	GLU	-1	-0.827	-0.914	29.003	-0.400	-0.400	0.000	0.000	0.000	0.000
84	A	106	ALA	0	-0.028	-0.011	23.694	-0.009	-0.009	0.000	0.000	0.000	0.000
85	A	107	VAL	0	0.027	0.032	24.363	-0.050	-0.050	0.000	0.000	0.000	0.000
86	A	108	GLU	-1	-0.787	-0.909	25.816	-0.394	-0.394	0.000	0.000	0.000	0.000
87	A	109	HIS	0	-0.046	-0.014	23.823	-0.024	-0.024	0.000	0.000	0.000	0.000
88	A	110	SER	0	-0.031	-0.038	22.230	-0.038	-0.038	0.000	0.000	0.000	0.000
89	A	111	GLY	0	-0.049	-0.021	23.809	-0.017	-0.017	0.000	0.000	0.000	0.000
90	A	112	LEU	0	-0.016	0.008	22.475	0.005	0.005	0.000	0.000	0.000	0.000
91	A	113	ASN	0	0.088	0.034	26.950	0.012	0.012	0.000	0.000	0.000	0.000
92	A	114	PRO	0	0.031	0.014	29.008	-0.014	-0.014	0.000	0.000	0.000	0.000
93	A	115	ALA	0	0.025	0.015	30.083	-0.009	-0.009	0.000	0.000	0.000	0.000
94	A	116	GLY	0	-0.036	-0.019	29.612	0.008	0.008	0.000	0.000	0.000	0.000
95	A	117	LEU	0	-0.016	-0.001	24.169	-0.021	-0.021	0.000	0.000	0.000	0.000
96	A	118	ALA	0	0.038	0.064	27.470	-0.026	-0.026	0.000	0.000	0.000	0.000
97	A	119	GLY	0	-0.015	-0.012	29.345	0.005	0.005	0.000	0.000	0.000	0.000
98	A	120	SER	0	-0.057	-0.061	24.029	-0.030	-0.030	0.000	0.000	0.000	0.000
99	A	121	ALA	0	0.048	0.027	21.369	0.021	0.021	0.000	0.000	0.000	0.000
100	A	122	THR	0	-0.004	-0.012	20.910	-0.114	-0.114	0.000	0.000	0.000	0.000
101	A	123	GLY	0	0.008	0.013	20.526	0.053	0.053	0.000	0.000	0.000	0.000
102	A	124	VAL	0	-0.047	-0.031	21.502	-0.018	-0.018	0.000	0.000	0.000	0.000
103	A	125	PHE	0	-0.015	-0.020	18.913	0.022	0.022	0.000	0.000	0.000	0.000
104	A	126	MET	0	-0.001	0.019	22.064	-0.031	-0.031	0.000	0.000	0.000	0.000
105	A	127	GLY	0	0.011	-0.007	24.594	0.007	0.007	0.000	0.000	0.000	0.000
106	A	128	LEU	0	-0.058	-0.037	25.669	0.011	0.011	0.000	0.000	0.000	0.000
107	A	129	THR	0	0.023	0.006	29.278	-0.004	-0.004	0.000	0.000	0.000	0.000
108	A	130	HIS	0	0.013	0.017	29.507	0.018	0.018	0.000	0.000	0.000	0.000
109	A	131	ASN	0	0.004	0.011	34.101	0.005	0.005	0.000	0.000	0.000	0.000
110	A	152	THR	0	-0.012	-0.021	34.383	-0.002	-0.002	0.000	0.000	0.000	0.000
111	A	153	SER	0	-0.017	-0.005	30.510	0.005	0.005	0.000	0.000	0.000	0.000
112	A	154	PHE	0	0.034	0.011	32.319	-0.007	-0.007	0.000	0.000	0.000	0.000
113	A	155	SER	0	0.030	0.032	27.796	0.011	0.011	0.000	0.000	0.000	0.000
114	A	156	LEU	0	-0.004	-0.013	30.158	-0.016	-0.016	0.000	0.000	0.000	0.000
115	A	157	ALA	0	0.009	0.007	29.887	-0.003	-0.003	0.000	0.000	0.000	0.000
116	A	158	SER	0	0.030	-0.016	25.563	0.004	0.004	0.000	0.000	0.000	0.000
117	A	159	GLY	0	0.034	0.021	28.181	-0.014	-0.014	0.000	0.000	0.000	0.000
118	A	160	ARG	1	0.900	0.949	30.601	0.324	0.324	0.000	0.000	0.000	0.000
119	A	161	ILE	0	0.045	0.019	26.969	0.009	0.009	0.000	0.000	0.000	0.000
120	A	162	ALA	0	0.014	0.009	27.783	-0.005	-0.005	0.000	0.000	0.000	0.000
121	A	163	TYR	0	-0.030	-0.018	29.043	0.006	0.006	0.000	0.000	0.000	0.000
122	A	164	ALA	0	-0.014	-0.007	31.959	0.012	0.012	0.000	0.000	0.000	0.000
123	A	165	LEU	0	-0.007	-0.003	26.749	0.007	0.007	0.000	0.000	0.000	0.000
124	A	166	GLY	0	0.016	0.023	30.454	-0.003	-0.003	0.000	0.000	0.000	0.000
125	A	167	VAL	0	-0.062	-0.010	26.045	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	168	HIS	0	-0.060	-0.029	25.417	0.002	0.002	0.000	0.000	0.000	0.000
127	A	169	GLY	0	0.080	0.026	23.645	-0.044	-0.044	0.000	0.000	0.000	0.000
128	A	170	PRO	0	-0.057	-0.005	20.243	0.065	0.065	0.000	0.000	0.000	0.000
129	A	171	ALA	0	0.061	0.030	23.475	-0.021	-0.021	0.000	0.000	0.000	0.000
130	A	172	ILE	0	-0.044	-0.029	22.314	0.052	0.052	0.000	0.000	0.000	0.000
131	A	173	THR	0	-0.046	-0.002	24.597	-0.002	-0.002	0.000	0.000	0.000	0.000
132	A	174	VAL	0	-0.020	-0.020	22.693	0.001	0.001	0.000	0.000	0.000	0.000
133	A	175	ASP	-1	-0.764	-0.893	25.763	-0.337	-0.337	0.000	0.000	0.000	0.000
134	A	176	THR	0	-0.086	-0.064	24.648	-0.002	-0.002	0.000	0.000	0.000	0.000
135	A	177	ALA	0	0.000	0.009	26.652	0.012	0.012	0.000	0.000	0.000	0.000
136	A	178	CYS	0	-0.087	-0.050	27.662	0.030	0.030	0.000	0.000	0.000	0.000
137	A	179	SER	0	-0.027	-0.027	22.379	-0.037	-0.037	0.000	0.000	0.000	0.000
138	A	180	SER	0	0.021	-0.005	20.033	0.013	0.013	0.000	0.000	0.000	0.000
139	A	181	SER	0	0.015	0.002	22.062	-0.045	-0.045	0.000	0.000	0.000	0.000
140	A	182	LEU	0	0.010	0.019	16.138	-0.031	-0.031	0.000	0.000	0.000	0.000
141	A	183	SER	0	-0.024	-0.012	16.931	-0.142	-0.142	0.000	0.000	0.000	0.000
142	A	184	ALA	0	0.049	0.025	17.699	-0.092	-0.092	0.000	0.000	0.000	0.000
143	A	185	ILE	0	0.057	0.022	14.416	-0.058	-0.058	0.000	0.000	0.000	0.000
144	A	186	HIS	0	0.016	0.027	11.388	-0.307	-0.307	0.000	0.000	0.000	0.000
145	A	187	MET	0	-0.064	-0.043	13.535	-0.170	-0.170	0.000	0.000	0.000	0.000
146	A	188	ALA	0	0.030	0.034	15.693	-0.051	-0.051	0.000	0.000	0.000	0.000
147	A	189	CYS	0	-0.002	0.002	10.129	-0.077	-0.077	0.000	0.000	0.000	0.000
148	A	190	ARG	1	0.910	0.940	10.835	1.519	1.519	0.000	0.000	0.000	0.000
149	A	191	SER	0	0.014	0.044	12.119	0.006	0.006	0.000	0.000	0.000	0.000
150	A	192	LEU	0	0.016	0.003	12.151	0.031	0.031	0.000	0.000	0.000	0.000
151	A	193	HIS	0	-0.049	-0.019	7.696	-0.416	-0.416	0.000	0.000	0.000	0.000
152	A	194	ASP	-1	-0.950	-0.982	10.622	-1.689	-1.689	0.000	0.000	0.000	0.000
153	A	195	GLY	0	-0.033	-0.009	13.672	0.181	0.181	0.000	0.000	0.000	0.000
154	A	196	GLU	-1	-0.977	-0.969	15.411	-0.856	-0.856	0.000	0.000	0.000	0.000
155	A	197	SER	0	-0.047	-0.037	16.836	0.161	0.161	0.000	0.000	0.000	0.000
156	A	198	ASP	-1	-0.834	-0.894	16.349	-1.197	-1.197	0.000	0.000	0.000	0.000
157	A	199	VAL	0	-0.032	-0.019	17.422	-0.059	-0.059	0.000	0.000	0.000	0.000
158	A	200	ALA	0	0.004	0.003	16.647	0.028	0.028	0.000	0.000	0.000	0.000
159	A	201	LEU	0	0.003	0.025	18.715	-0.028	-0.028	0.000	0.000	0.000	0.000
160	A	202	ALA	0	0.009	-0.011	18.337	0.004	0.004	0.000	0.000	0.000	0.000
161	A	203	GLY	0	0.010	-0.005	20.276	0.001	0.001	0.000	0.000	0.000	0.000
162	A	204	GLY	0	-0.029	-0.005	22.741	-0.005	-0.005	0.000	0.000	0.000	0.000
163	A	205	VAL	0	-0.033	-0.015	25.712	0.008	0.008	0.000	0.000	0.000	0.000
164	A	206	SER	0	-0.054	-0.021	29.379	0.007	0.007	0.000	0.000	0.000	0.000
165	A	207	VAL	0	0.044	0.008	31.895	0.005	0.005	0.000	0.000	0.000	0.000
166	A	208	LEU	0	-0.026	-0.005	35.312	0.005	0.005	0.000	0.000	0.000	0.000
167	A	209	LEU	0	-0.014	-0.005	37.927	0.006	0.006	0.000	0.000	0.000	0.000
168	A	210	GLU	-1	-0.993	-0.991	40.887	-0.156	-0.156	0.000	0.000	0.000	0.000
169	A	221	GLY	0	0.019	-0.004	33.388	0.002	0.002	0.000	0.000	0.000	0.000
170	A	222	MET	0	-0.064	-0.033	34.423	0.007	0.007	0.000	0.000	0.000	0.000
171	A	223	LEU	0	0.039	0.025	36.030	-0.010	-0.010	0.000	0.000	0.000	0.000
172	A	224	SER	0	0.027	0.023	37.158	0.013	0.013	0.000	0.000	0.000	0.000
173	A	225	PRO	0	-0.045	-0.029	38.906	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	226	THR	0	-0.101	-0.092	40.497	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	227	GLY	0	0.013	0.010	39.846	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	228	HIS	1	0.855	0.921	36.788	0.146	0.146	0.000	0.000	0.000	0.000
177	A	229	CYS	0	-0.022	0.024	31.518	0.004	0.004	0.000	0.000	0.000	0.000
178	A	230	HIS	0	-0.050	-0.038	33.126	-0.009	-0.009	0.000	0.000	0.000	0.000
179	A	231	ALA	0	0.033	0.010	29.334	0.008	0.008	0.000	0.000	0.000	0.000
180	A	232	PHE	0	0.017	-0.002	24.592	0.005	0.005	0.000	0.000	0.000	0.000
181	A	233	ASP	-1	-0.722	-0.844	30.475	-0.057	-0.057	0.000	0.000	0.000	0.000
182	A	234	THR	0	-0.086	-0.060	33.995	0.004	0.004	0.000	0.000	0.000	0.000
183	A	235	ALA	0	-0.074	-0.019	36.662	0.004	0.004	0.000	0.000	0.000	0.000
184	A	236	ALA	0	-0.010	0.001	35.090	0.002	0.002	0.000	0.000	0.000	0.000
185	A	237	ASP	-1	-0.744	-0.830	36.034	-0.098	-0.098	0.000	0.000	0.000	0.000
186	A	238	GLY	0	-0.013	-0.027	35.125	0.004	0.004	0.000	0.000	0.000	0.000
187	A	239	PHE	0	-0.055	-0.032	32.207	-0.010	-0.010	0.000	0.000	0.000	0.000
188	A	240	VAL	0	0.003	0.002	33.872	0.013	0.013	0.000	0.000	0.000	0.000
189	A	241	SER	0	-0.009	0.005	33.636	-0.010	-0.010	0.000	0.000	0.000	0.000
190	A	242	ALA	0	0.030	0.017	32.466	0.013	0.013	0.000	0.000	0.000	0.000
191	A	243	GLU	-1	-0.777	-0.877	33.009	-0.262	-0.262	0.000	0.000	0.000	0.000
192	A	244	GLY	0	0.014	-0.001	30.968	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	245	CYS	0	-0.107	-0.038	28.823	-0.018	-0.018	0.000	0.000	0.000	0.000
194	A	246	VAL	0	0.009	0.010	23.194	0.006	0.006	0.000	0.000	0.000	0.000
195	A	247	VAL	0	-0.004	-0.005	23.258	-0.020	-0.020	0.000	0.000	0.000	0.000
196	A	248	LEU	0	-0.037	-0.027	17.599	0.008	0.008	0.000	0.000	0.000	0.000
197	A	249	THR	0	0.025	0.002	19.828	-0.004	-0.004	0.000	0.000	0.000	0.000
198	A	250	LEU	0	-0.084	-0.051	14.161	-0.061	-0.061	0.000	0.000	0.000	0.000
199	A	251	LYS	1	0.918	0.953	14.648	1.068	1.068	0.000	0.000	0.000	0.000
200	A	252	ARG	1	0.830	0.901	10.873	1.428	1.428	0.000	0.000	0.000	0.000
201	A	253	LEU	0	-0.026	-0.022	8.758	0.222	0.222	0.000	0.000	0.000	0.000
202	A	254	ASP	-1	-0.907	-0.958	10.782	-1.934	-1.934	0.000	0.000	0.000	0.000
203	A	255	ASP	-1	-0.792	-0.907	12.477	-1.138	-1.138	0.000	0.000	0.000	0.000
204	A	256	ALA	0	-0.066	-0.018	14.604	0.154	0.154	0.000	0.000	0.000	0.000
205	A	257	VAL	0	-0.056	-0.041	13.760	0.133	0.133	0.000	0.000	0.000	0.000
206	A	258	ALA	0	-0.063	-0.018	16.474	0.125	0.125	0.000	0.000	0.000	0.000
207	A	259	ASP	-1	-0.876	-0.946	18.457	-0.759	-0.759	0.000	0.000	0.000	0.000
208	A	260	GLY	0	-0.052	-0.012	19.778	0.068	0.068	0.000	0.000	0.000	0.000
209	A	261	ASP	-1	-0.883	-0.942	18.797	-0.802	-0.802	0.000	0.000	0.000	0.000
210	A	262	ARG	1	0.803	0.890	19.857	0.621	0.621	0.000	0.000	0.000	0.000
211	A	263	ILE	0	-0.023	-0.019	14.204	-0.041	-0.041	0.000	0.000	0.000	0.000
212	A	264	LEU	0	-0.047	-0.019	17.584	0.079	0.079	0.000	0.000	0.000	0.000
213	A	265	ALA	0	-0.029	-0.027	14.577	0.070	0.070	0.000	0.000	0.000	0.000
214	A	266	VAL	0	0.008	0.005	8.435	-0.091	-0.091	0.000	0.000	0.000	0.000
215	A	267	ILE	0	0.012	-0.002	9.250	0.117	0.117	0.000	0.000	0.000	0.000
216	A	268	ARG	1	0.874	0.938	3.209	3.344	3.996	0.016	-0.239	-0.429	0.002
217	A	269	GLY	0	0.049	0.013	4.610	-2.577	-2.570	-0.001	-0.007	0.001	0.000
218	A	270	THR	0	-0.021	-0.025	6.442	0.821	0.821	0.000	0.000	0.000	0.000
219	A	271	ALA	0	-0.053	-0.024	9.120	-0.220	-0.220	0.000	0.000	0.000	0.000
220	A	272	THR	0	0.021	0.009	11.554	0.170	0.170	0.000	0.000	0.000	0.000
221	A	273	ASN	0	-0.049	-0.029	15.270	0.046	0.046	0.000	0.000	0.000	0.000
222	A	274	GLN	0	-0.026	-0.004	17.874	0.013	0.013	0.000	0.000	0.000	0.000
223	A	275	ASP	-1	-0.830	-0.910	21.640	-0.160	-0.160	0.000	0.000	0.000	0.000
224	A	276	GLY	0	-0.014	-0.010	24.149	0.002	0.002	0.000	0.000	0.000	0.000
225	A	285	SER	0	-0.024	-0.030	25.942	-0.006	-0.006	0.000	0.000	0.000	0.000
226	A	286	ALA	0	-0.013	-0.011	24.141	0.022	0.022	0.000	0.000	0.000	0.000
227	A	287	ASP	-1	-0.845	-0.918	24.246	0.027	0.027	0.000	0.000	0.000	0.000
228	A	288	ALA	0	0.018	0.007	21.861	0.021	0.021	0.000	0.000	0.000	0.000
229	A	289	GLN	0	0.001	-0.011	19.434	0.015	0.015	0.000	0.000	0.000	0.000
230	A	290	ALA	0	0.095	0.044	17.702	-0.053	-0.053	0.000	0.000	0.000	0.000
231	A	291	LYS	1	0.892	0.943	14.193	-0.015	-0.015	0.000	0.000	0.000	0.000
232	A	292	VAL	0	0.009	-0.002	13.611	-0.013	-0.013	0.000	0.000	0.000	0.000
233	A	293	TYR	0	0.051	0.007	12.599	-0.177	-0.177	0.000	0.000	0.000	0.000
234	A	294	ARG	1	0.950	0.980	11.012	-0.664	-0.664	0.000	0.000	0.000	0.000
235	A	295	MET	0	-0.077	-0.037	9.116	0.211	0.211	0.000	0.000	0.000	0.000
236	A	296	ALA	0	0.037	0.031	7.898	-0.459	-0.459	0.000	0.000	0.000	0.000
237	A	297	LEU	0	0.039	0.024	6.519	-1.001	-1.001	0.000	0.000	0.000	0.000
238	A	298	LYS	1	0.920	0.975	5.170	-2.010	-2.010	0.000	0.000	0.000	0.000
239	A	299	ALA	0	-0.055	-0.030	3.301	-1.165	-0.235	0.039	-0.418	-0.551	-0.003
240	A	300	ALA	0	0.021	0.001	2.285	-11.047	-9.150	1.886	-1.930	-1.853	-0.027
241	A	301	GLY	0	-0.072	-0.034	2.436	-1.097	0.020	4.137	-2.425	-2.828	-0.001
242	A	302	VAL	0	-0.045	-0.034	3.236	-1.576	-1.820	0.065	1.096	-0.916	-0.004
243	A	303	GLU	-1	-0.882	-0.939	5.945	2.753	2.753	0.000	0.000	0.000	0.000
244	A	304	PRO	0	0.021	0.016	9.016	-0.441	-0.441	0.000	0.000	0.000	0.000
245	A	305	GLY	0	0.028	0.018	12.130	-0.155	-0.155	0.000	0.000	0.000	0.000
246	A	306	THR	0	-0.077	-0.054	10.303	-0.176	-0.176	0.000	0.000	0.000	0.000
247	A	307	VAL	0	-0.055	-0.019	12.147	-0.174	-0.174	0.000	0.000	0.000	0.000
248	A	308	GLY	0	0.021	0.013	14.323	0.085	0.085	0.000	0.000	0.000	0.000
249	A	309	LEU	0	-0.040	-0.027	17.304	0.006	0.006	0.000	0.000	0.000	0.000
250	A	310	VAL	0	-0.007	-0.013	16.779	-0.084	-0.084	0.000	0.000	0.000	0.000
251	A	311	GLU	-1	-0.793	-0.875	18.467	-0.356	-0.356	0.000	0.000	0.000	0.000
252	A	312	ALA	0	0.009	0.001	19.639	-0.055	-0.055	0.000	0.000	0.000	0.000
253	A	313	HIS	0	0.015	0.015	21.249	-0.045	-0.045	0.000	0.000	0.000	0.000
254	A	314	GLY	0	0.028	0.023	23.095	0.000	0.000	0.000	0.000	0.000	0.000
255	A	315	THR	0	-0.044	-0.029	26.113	-0.007	-0.007	0.000	0.000	0.000	0.000
256	A	316	GLY	0	0.063	0.031	28.804	0.001	0.001	0.000	0.000	0.000	0.000
257	A	317	THR	0	-0.068	-0.022	30.207	0.018	0.018	0.000	0.000	0.000	0.000
258	A	318	PRO	0	0.061	0.011	31.901	0.004	0.004	0.000	0.000	0.000	0.000
259	A	319	VAL	0	-0.037	-0.023	31.712	0.012	0.012	0.000	0.000	0.000	0.000
260	A	320	GLY	0	-0.005	-0.011	28.738	0.007	0.007	0.000	0.000	0.000	0.000
261	A	321	ASP	-1	-0.740	-0.861	27.265	-0.168	-0.168	0.000	0.000	0.000	0.000
262	A	322	PRO	0	0.035	0.015	27.336	0.004	0.004	0.000	0.000	0.000	0.000
263	A	323	LEU	0	0.001	0.033	26.395	0.020	0.020	0.000	0.000	0.000	0.000
264	A	324	GLU	-1	-0.768	-0.906	22.258	-0.270	-0.270	0.000	0.000	0.000	0.000
265	A	325	PHE	0	-0.028	-0.033	22.947	0.005	0.005	0.000	0.000	0.000	0.000
266	A	326	SER	0	-0.005	-0.030	24.267	0.034	0.034	0.000	0.000	0.000	0.000
267	A	327	SER	0	-0.005	0.002	20.645	0.050	0.050	0.000	0.000	0.000	0.000
268	A	328	LEU	0	-0.059	-0.036	18.280	0.025	0.025	0.000	0.000	0.000	0.000
269	A	329	ALA	0	0.016	0.020	19.585	0.036	0.036	0.000	0.000	0.000	0.000
270	A	330	GLU	-1	-0.979	-0.976	19.435	0.316	0.316	0.000	0.000	0.000	0.000
271	A	331	VAL	0	-0.137	-0.060	14.066	0.112	0.112	0.000	0.000	0.000	0.000
272	A	332	TYR	0	0.027	-0.010	12.299	0.029	0.029	0.000	0.000	0.000	0.000
273	A	333	GLY	0	0.027	0.016	17.852	0.000	0.000	0.000	0.000	0.000	0.000
274	A	334	THR	0	-0.005	0.007	17.766	-0.026	-0.026	0.000	0.000	0.000	0.000
275	A	335	ASP	-1	-0.892	-0.939	17.644	0.545	0.545	0.000	0.000	0.000	0.000
276	A	336	GLY	0	-0.043	-0.019	18.890	-0.037	-0.037	0.000	0.000	0.000	0.000
277	A	337	PRO	0	-0.029	-0.013	21.279	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	338	CYS	0	-0.010	-0.002	19.031	-0.043	-0.043	0.000	0.000	0.000	0.000
279	A	339	ALA	0	0.021	0.021	20.873	0.001	0.001	0.000	0.000	0.000	0.000
280	A	340	LEU	0	0.012	0.005	21.357	-0.039	-0.039	0.000	0.000	0.000	0.000
281	A	341	GLY	0	0.018	-0.006	22.782	0.021	0.021	0.000	0.000	0.000	0.000
282	A	342	SER	0	-0.040	-0.030	23.662	-0.027	-0.027	0.000	0.000	0.000	0.000
283	A	343	ILE	0	-0.011	-0.010	25.165	0.028	0.028	0.000	0.000	0.000	0.000
284	A	344	LYS	1	0.846	0.921	24.317	0.393	0.393	0.000	0.000	0.000	0.000
285	A	345	THR	0	-0.068	-0.017	29.140	0.020	0.020	0.000	0.000	0.000	0.000
286	A	346	ASN	0	-0.030	-0.016	30.359	0.004	0.004	0.000	0.000	0.000	0.000
287	A	347	PHE	0	0.023	-0.013	29.928	0.007	0.007	0.000	0.000	0.000	0.000
288	A	348	GLY	0	0.039	0.031	31.878	0.001	0.001	0.000	0.000	0.000	0.000
289	A	349	HIS	0	0.004	-0.015	27.160	-0.030	-0.030	0.000	0.000	0.000	0.000
290	A	350	THR	0	0.025	0.016	27.532	0.003	0.003	0.000	0.000	0.000	0.000
291	A	351	GLN	0	0.042	-0.005	28.418	-0.010	-0.010	0.000	0.000	0.000	0.000
292	A	352	SER	0	-0.009	0.018	25.751	-0.028	-0.028	0.000	0.000	0.000	0.000
293	A	353	ALA	0	0.038	0.033	24.660	-0.052	-0.052	0.000	0.000	0.000	0.000
294	A	354	ALA	0	-0.016	0.006	24.737	-0.027	-0.027	0.000	0.000	0.000	0.000
295	A	355	GLY	0	0.037	0.009	20.784	-0.009	-0.009	0.000	0.000	0.000	0.000
296	A	356	ALA	0	0.046	0.008	20.183	-0.049	-0.049	0.000	0.000	0.000	0.000
297	A	357	LEU	0	-0.005	0.003	21.242	-0.022	-0.022	0.000	0.000	0.000	0.000
298	A	358	GLY	0	0.022	0.007	21.257	0.016	0.016	0.000	0.000	0.000	0.000
299	A	359	VAL	0	-0.006	-0.013	16.446	-0.013	-0.013	0.000	0.000	0.000	0.000
300	A	360	MET	0	0.014	0.006	18.793	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	361	LYS	1	0.891	0.962	21.369	0.380	0.380	0.000	0.000	0.000	0.000
302	A	362	ALA	0	0.002	0.000	17.419	0.031	0.031	0.000	0.000	0.000	0.000
303	A	363	VAL	0	0.008	-0.003	16.703	0.000	0.000	0.000	0.000	0.000	0.000
304	A	364	LEU	0	-0.018	-0.004	18.773	0.035	0.035	0.000	0.000	0.000	0.000
305	A	365	ALA	0	-0.030	-0.025	20.947	0.043	0.043	0.000	0.000	0.000	0.000
306	A	366	LEU	0	-0.046	-0.001	15.186	0.032	0.032	0.000	0.000	0.000	0.000
307	A	367	GLN	0	0.009	0.008	19.160	0.044	0.044	0.000	0.000	0.000	0.000
308	A	368	HIS	1	0.816	0.916	21.193	0.453	0.453	0.000	0.000	0.000	0.000
309	A	369	ASN	0	0.041	0.006	22.813	-0.026	-0.026	0.000	0.000	0.000	0.000
310	A	370	VAL	0	-0.065	-0.024	24.392	0.019	0.019	0.000	0.000	0.000	0.000
311	A	371	ILE	0	0.033	0.014	22.372	-0.042	-0.042	0.000	0.000	0.000	0.000
312	A	372	PRO	0	-0.051	-0.016	24.955	0.027	0.027	0.000	0.000	0.000	0.000
313	A	373	GLN	0	0.003	0.015	27.573	-0.019	-0.019	0.000	0.000	0.000	0.000
314	A	374	ASN	0	0.025	0.014	27.114	-0.039	-0.039	0.000	0.000	0.000	0.000
315	A	375	LEU	0	-0.026	-0.013	30.313	0.018	0.018	0.000	0.000	0.000	0.000
316	A	376	HIS	0	-0.093	-0.057	33.353	0.009	0.009	0.000	0.000	0.000	0.000
317	A	377	PHE	0	0.018	0.001	31.946	0.000	0.000	0.000	0.000	0.000	0.000
318	A	378	THR	0	-0.135	-0.070	34.893	0.006	0.006	0.000	0.000	0.000	0.000
319	A	379	ARG	1	0.939	0.958	35.786	0.036	0.036	0.000	0.000	0.000	0.000
320	A	380	LEU	0	0.069	0.047	29.511	-0.010	-0.010	0.000	0.000	0.000	0.000
321	A	381	PRO	0	0.028	0.020	32.100	0.005	0.005	0.000	0.000	0.000	0.000
322	A	382	ASP	-1	-0.907	-0.972	34.260	0.014	0.014	0.000	0.000	0.000	0.000
323	A	383	GLN	0	-0.114	-0.058	34.463	0.005	0.005	0.000	0.000	0.000	0.000
324	A	384	MET	0	-0.013	-0.004	29.668	0.010	0.010	0.000	0.000	0.000	0.000
325	A	385	ALA	0	-0.018	0.001	30.585	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	386	GLU	-1	-0.956	-0.977	32.297	0.085	0.085	0.000	0.000	0.000	0.000
327	A	387	ILE	0	-0.022	0.001	26.653	0.021	0.021	0.000	0.000	0.000	0.000
328	A	388	GLU	-1	-0.954	-0.974	27.181	0.166	0.166	0.000	0.000	0.000	0.000
329	A	389	THR	0	-0.051	-0.012	23.085	0.020	0.020	0.000	0.000	0.000	0.000
330	A	390	GLY	0	0.000	-0.002	23.169	-0.018	-0.018	0.000	0.000	0.000	0.000
331	A	391	LEU	0	-0.060	-0.048	20.751	-0.034	-0.034	0.000	0.000	0.000	0.000
332	A	392	PHE	0	-0.017	0.002	24.285	0.006	0.006	0.000	0.000	0.000	0.000
333	A	393	VAL	0	0.014	0.009	26.104	-0.028	-0.028	0.000	0.000	0.000	0.000
334	A	394	PRO	0	-0.018	0.000	26.228	0.017	0.017	0.000	0.000	0.000	0.000
335	A	395	GLU	-1	-0.851	-0.929	29.197	-0.079	-0.079	0.000	0.000	0.000	0.000
336	A	396	THR	0	-0.055	-0.045	32.128	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	397	ILE	0	0.022	0.008	30.204	-0.011	-0.011	0.000	0.000	0.000	0.000
338	A	398	THR	0	0.004	0.011	26.727	0.017	0.017	0.000	0.000	0.000	0.000
339	A	399	PRO	0	-0.056	-0.045	26.764	-0.026	-0.026	0.000	0.000	0.000	0.000
340	A	400	TRP	0	0.054	0.020	17.714	0.009	0.009	0.000	0.000	0.000	0.000
341	A	401	PRO	0	-0.016	-0.002	20.314	0.019	0.019	0.000	0.000	0.000	0.000
342	A	402	VAL	0	0.040	0.028	16.603	0.023	0.023	0.000	0.000	0.000	0.000
343	A	403	ARG	1	0.931	0.957	19.763	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	404	GLU	-1	-0.955	-0.978	17.062	0.275	0.275	0.000	0.000	0.000	0.000
345	A	405	GLY	0	-0.029	-0.011	16.889	0.041	0.041	0.000	0.000	0.000	0.000
346	A	406	GLN	0	-0.034	-0.020	11.392	-0.025	-0.025	0.000	0.000	0.000	0.000
347	A	407	PRO	0	0.003	0.020	11.203	0.023	0.023	0.000	0.000	0.000	0.000
348	A	408	ARG	1	0.904	0.967	13.308	0.445	0.445	0.000	0.000	0.000	0.000
349	A	409	ARG	1	0.929	0.963	8.125	0.669	0.669	0.000	0.000	0.000	0.000
350	A	410	ALA	0	0.008	0.002	13.320	0.169	0.169	0.000	0.000	0.000	0.000
351	A	411	ALA	0	-0.014	0.004	12.928	-0.210	-0.210	0.000	0.000	0.000	0.000
352	A	412	VAL	0	-0.003	0.007	14.410	0.101	0.101	0.000	0.000	0.000	0.000
353	A	413	SER	0	0.002	0.003	15.395	-0.101	-0.101	0.000	0.000	0.000	0.000
354	A	414	ALA	0	0.025	0.009	17.894	0.032	0.032	0.000	0.000	0.000	0.000
355	A	415	TYR	0	-0.005	0.032	19.125	-0.057	-0.057	0.000	0.000	0.000	0.000
356	A	416	GLY	0	0.028	0.021	22.586	0.012	0.012	0.000	0.000	0.000	0.000
357	A	417	LEU	0	-0.007	-0.017	24.997	0.026	0.026	0.000	0.000	0.000	0.000
358	A	418	SER	0	-0.049	-0.017	26.142	0.021	0.021	0.000	0.000	0.000	0.000
359	A	419	GLY	0	0.037	0.031	25.127	0.014	0.014	0.000	0.000	0.000	0.000
360	A	420	THR	0	-0.063	-0.019	20.221	-0.017	-0.017	0.000	0.000	0.000	0.000
361	A	421	ASN	0	-0.017	-0.012	18.783	-0.021	-0.021	0.000	0.000	0.000	0.000
362	A	422	VAL	0	-0.032	-0.021	14.790	-0.047	-0.047	0.000	0.000	0.000	0.000
363	A	423	HIS	0	0.015	0.006	11.804	0.090	0.090	0.000	0.000	0.000	0.000
364	A	424	ALA	0	-0.010	-0.014	11.030	-0.278	-0.278	0.000	0.000	0.000	0.000
365	A	425	VAL	0	0.001	0.005	8.139	0.305	0.305	0.000	0.000	0.000	0.000
366	A	426	LEU	0	-0.020	-0.028	9.331	-0.463	-0.463	0.000	0.000	0.000	0.000
367	A	427	GLU	-1	-0.844	-0.931	8.719	-1.655	-1.655	0.000	0.000	0.000	0.000
368	A	428	GLN	0	0.022	0.021	11.808	-0.007	-0.007	0.000	0.000	0.000	0.000
369	A	429	ALA	0	0.010	0.009	13.376	-0.138	-0.138	0.000	0.000	0.000	0.000
370	A	430	PRO	0	0.000	-0.010	12.665	0.115	0.115	0.000	0.000	0.000	0.000
371	A	431	GLU	-1	-0.950	-0.964	15.299	-0.341	-0.341	0.000	0.000	0.000	0.000
372	A	432	SER	0	-0.006	-0.025	18.722	-0.022	-0.022	0.000	0.000	0.000	0.000
373	A	433	PRO	0	-0.032	0.010	21.155	0.027	0.027	0.000	0.000	0.000	0.000
374	A	444	LYS	1	0.964	0.975	45.125	0.113	0.113	0.000	0.000	0.000	0.000
375	A	445	ALA	0	0.003	-0.007	44.609	-0.005	-0.005	0.000	0.000	0.000	0.000
376	A	446	GLY	0	0.015	0.003	45.783	0.008	0.008	0.000	0.000	0.000	0.000
377	A	447	ASN	0	-0.024	-0.013	45.861	0.004	0.004	0.000	0.000	0.000	0.000
378	A	448	ALA	0	0.011	0.009	45.731	-0.006	-0.006	0.000	0.000	0.000	0.000
379	A	449	LEU	0	-0.021	-0.010	40.202	-0.004	-0.004	0.000	0.000	0.000	0.000
380	A	450	VAL	0	0.046	0.013	42.446	0.006	0.006	0.000	0.000	0.000	0.000
381	A	451	PHE	0	-0.012	-0.021	39.359	-0.014	-0.014	0.000	0.000	0.000	0.000
382	A	452	PRO	0	0.006	0.002	38.951	0.008	0.008	0.000	0.000	0.000	0.000
383	A	453	VAL	0	-0.008	-0.003	39.476	-0.013	-0.013	0.000	0.000	0.000	0.000
384	A	454	SER	0	0.012	0.003	39.304	0.005	0.005	0.000	0.000	0.000	0.000
385	A	455	ALA	0	0.009	-0.001	40.047	-0.011	-0.011	0.000	0.000	0.000	0.000
386	A	456	SER	0	-0.047	-0.015	40.551	0.010	0.010	0.000	0.000	0.000	0.000
387	A	457	SER	0	0.062	0.027	42.336	0.011	0.011	0.000	0.000	0.000	0.000
388	A	458	ALA	0	0.048	0.008	45.635	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	459	ASP	-1	-0.856	-0.924	47.851	-0.170	-0.170	0.000	0.000	0.000	0.000
390	A	460	ALA	0	0.013	0.014	42.382	0.000	0.000	0.000	0.000	0.000	0.000
391	A	461	LEU	0	-0.002	0.015	43.256	-0.008	-0.008	0.000	0.000	0.000	0.000
392	A	462	ARG	1	0.871	0.943	44.605	0.166	0.166	0.000	0.000	0.000	0.000
393	A	463	SER	0	0.003	0.005	43.459	0.004	0.004	0.000	0.000	0.000	0.000
394	A	464	THR	0	-0.013	-0.026	39.337	-0.008	-0.008	0.000	0.000	0.000	0.000
395	A	465	ALA	0	-0.007	-0.004	41.415	-0.005	-0.005	0.000	0.000	0.000	0.000
396	A	466	GLN	0	0.010	0.009	43.895	0.006	0.006	0.000	0.000	0.000	0.000
397	A	467	HIS	0	-0.020	-0.015	39.382	-0.004	-0.004	0.000	0.000	0.000	0.000
398	A	468	LEU	0	-0.007	0.000	37.715	-0.006	-0.006	0.000	0.000	0.000	0.000
399	A	469	ALA	0	0.041	0.015	40.195	0.000	0.000	0.000	0.000	0.000	0.000
400	A	470	ASP	-1	-0.875	-0.949	41.889	-0.184	-0.184	0.000	0.000	0.000	0.000
401	A	471	TRP	0	-0.085	-0.047	33.146	0.004	0.004	0.000	0.000	0.000	0.000
402	A	472	LEU	0	-0.021	-0.028	38.715	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	473	LEU	0	-0.072	-0.039	40.470	0.006	0.006	0.000	0.000	0.000	0.000
404	A	474	ARG	1	0.949	1.005	36.974	0.236	0.236	0.000	0.000	0.000	0.000
405	A	475	SER	0	-0.049	-0.027	36.770	-0.002	-0.002	0.000	0.000	0.000	0.000
406	A	476	GLY	0	-0.016	-0.006	39.008	0.006	0.006	0.000	0.000	0.000	0.000
407	A	477	ASP	-1	-0.866	-0.905	40.757	-0.144	-0.144	0.000	0.000	0.000	0.000
408	A	478	GLY	0	-0.024	-0.026	40.669	-0.006	-0.006	0.000	0.000	0.000	0.000
409	A	479	ASN	0	-0.078	-0.056	40.492	0.004	0.004	0.000	0.000	0.000	0.000
410	A	480	GLY	0	0.067	0.051	38.657	-0.003	-0.003	0.000	0.000	0.000	0.000
411	A	481	ARG	1	0.909	0.934	29.684	0.280	0.280	0.000	0.000	0.000	0.000
412	A	482	GLY	0	0.007	0.011	36.106	0.001	0.001	0.000	0.000	0.000	0.000
413	A	483	PRO	0	-0.054	-0.016	33.930	0.008	0.008	0.000	0.000	0.000	0.000
414	A	484	ALA	0	0.035	0.004	37.039	-0.006	-0.006	0.000	0.000	0.000	0.000
415	A	485	ILE	0	-0.010	0.000	35.518	-0.007	-0.007	0.000	0.000	0.000	0.000
416	A	486	ASP	-1	-0.864	-0.919	34.733	-0.229	-0.229	0.000	0.000	0.000	0.000
417	A	487	LEU	0	0.001	-0.012	36.240	-0.012	-0.012	0.000	0.000	0.000	0.000
418	A	488	GLY	0	0.051	0.032	37.526	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	489	ASP	-1	-0.803	-0.916	32.212	-0.313	-0.313	0.000	0.000	0.000	0.000
420	A	490	LEU	0	-0.049	-0.005	33.449	-0.019	-0.019	0.000	0.000	0.000	0.000
421	A	491	ALA	0	0.040	0.020	35.504	-0.011	-0.011	0.000	0.000	0.000	0.000
422	A	492	TYR	0	0.023	0.019	28.720	-0.019	-0.019	0.000	0.000	0.000	0.000
423	A	493	THR	0	-0.047	-0.045	30.722	-0.027	-0.027	0.000	0.000	0.000	0.000
424	A	494	LEU	0	-0.052	-0.033	32.503	-0.015	-0.015	0.000	0.000	0.000	0.000
425	A	495	ALA	0	0.024	0.021	35.359	0.001	0.001	0.000	0.000	0.000	0.000
426	A	496	ARG	1	0.828	0.913	30.971	0.351	0.351	0.000	0.000	0.000	0.000
427	A	497	ARG	1	0.808	0.910	24.207	0.509	0.509	0.000	0.000	0.000	0.000
428	A	498	ARG	1	0.875	0.934	29.154	0.390	0.390	0.000	0.000	0.000	0.000
429	A	499	GLY	0	0.044	0.031	32.280	0.003	0.003	0.000	0.000	0.000	0.000
430	A	500	PHE	0	-0.078	-0.013	34.060	0.011	0.011	0.000	0.000	0.000	0.000
431	A	501	ARG	1	0.894	0.954	34.304	0.326	0.326	0.000	0.000	0.000	0.000
432	A	502	ALA	0	0.049	0.026	39.989	0.007	0.007	0.000	0.000	0.000	0.000
433	A	503	ALA	0	-0.009	0.011	43.609	0.009	0.009	0.000	0.000	0.000	0.000
434	A	504	ARG	1	0.729	0.818	40.873	0.239	0.239	0.000	0.000	0.000	0.000
435	A	505	SER	0	0.002	-0.002	44.515	0.009	0.009	0.000	0.000	0.000	0.000
436	A	506	ALA	0	0.066	0.020	44.212	-0.011	-0.011	0.000	0.000	0.000	0.000
437	A	507	VAL	0	-0.014	0.022	44.776	0.009	0.009	0.000	0.000	0.000	0.000
438	A	508	LEU	0	0.023	0.005	45.255	-0.006	-0.006	0.000	0.000	0.000	0.000
439	A	509	ALA	0	-0.007	-0.002	45.516	0.007	0.007	0.000	0.000	0.000	0.000
440	A	510	GLY	0	0.048	0.042	45.433	-0.007	-0.007	0.000	0.000	0.000	0.000
441	A	511	ASP	-1	-0.928	-0.920	45.343	-0.145	-0.145	0.000	0.000	0.000	0.000
442	A	512	ARG	1	1.021	1.001	42.412	0.164	0.164	0.000	0.000	0.000	0.000
443	A	513	GLY	0	-0.024	-0.008	45.063	-0.002	-0.002	0.000	0.000	0.000	0.000
444	A	514	THR	0	0.008	-0.052	48.638	-0.002	-0.002	0.000	0.000	0.000	0.000
445	A	515	LEU	0	0.011	0.019	41.578	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	516	VAL	0	-0.014	-0.016	45.117	-0.004	-0.004	0.000	0.000	0.000	0.000
447	A	517	GLU	-1	-0.806	-0.876	46.893	-0.135	-0.135	0.000	0.000	0.000	0.000
448	A	518	GLY	0	0.020	0.005	48.680	0.002	0.002	0.000	0.000	0.000	0.000
449	A	519	LEU	0	-0.032	-0.022	42.753	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	520	ARG	1	0.708	0.811	47.071	0.134	0.134	0.000	0.000	0.000	0.000
451	A	521	GLN	0	-0.038	-0.003	49.875	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	522	ILE	0	-0.007	0.014	46.321	0.001	0.001	0.000	0.000	0.000	0.000
453	A	523	ALA	0	-0.019	-0.014	47.590	0.000	0.000	0.000	0.000	0.000	0.000
454	A	524	ASP	-1	-0.878	-0.944	49.257	-0.144	-0.144	0.000	0.000	0.000	0.000
455	A	525	GLY	0	-0.078	-0.040	52.263	0.005	0.005	0.000	0.000	0.000	0.000
456	A	526	GLU	-1	-0.886	-0.920	53.951	-0.124	-0.124	0.000	0.000	0.000	0.000
457	A	527	ALA	0	-0.024	-0.015	51.554	0.003	0.003	0.000	0.000	0.000	0.000
458	A	528	MET	0	-0.056	-0.036	52.433	-0.004	-0.004	0.000	0.000	0.000	0.000
459	A	529	PRO	0	-0.033	-0.013	48.676	-0.002	-0.002	0.000	0.000	0.000	0.000
460	A	530	GLN	0	0.020	0.012	48.688	0.010	0.010	0.000	0.000	0.000	0.000
461	A	531	GLN	0	-0.041	-0.025	47.864	-0.014	-0.014	0.000	0.000	0.000	0.000
462	A	532	ALA	0	0.017	0.014	44.981	0.006	0.006	0.000	0.000	0.000	0.000
463	A	533	VAL	0	-0.036	-0.025	46.904	0.001	0.001	0.000	0.000	0.000	0.000
464	A	534	THR	0	-0.084	-0.046	45.273	0.000	0.000	0.000	0.000	0.000	0.000
465	A	535	ASN	0	0.004	-0.001	38.464	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	536	ASP	-1	-0.770	-0.849	39.188	-0.276	-0.276	0.000	0.000	0.000	0.000
467	A	537	ASP	-1	-0.906	-0.958	39.885	-0.247	-0.247	0.000	0.000	0.000	0.000
468	A	538	ARG	1	0.848	0.924	41.148	0.199	0.199	0.000	0.000	0.000	0.000
469	A	539	GLY	0	0.035	0.027	44.115	0.000	0.000	0.000	0.000	0.000	0.000
470	A	540	PRO	0	-0.029	-0.014	46.105	0.003	0.003	0.000	0.000	0.000	0.000
471	A	541	VAL	0	0.006	0.000	49.466	0.001	0.001	0.000	0.000	0.000	0.000
472	A	542	TRP	0	0.007	0.007	49.857	0.003	0.003	0.000	0.000	0.000	0.000
473	A	543	VAL	0	-0.008	-0.016	54.727	0.003	0.003	0.000	0.000	0.000	0.000
474	A	544	PHE	0	0.048	0.011	55.708	0.001	0.001	0.000	0.000	0.000	0.000
475	A	545	SER	0	-0.015	-0.030	60.845	0.003	0.003	0.000	0.000	0.000	0.000
476	A	546	GLY	0	0.067	0.021	64.270	0.000	0.000	0.000	0.000	0.000	0.000
477	A	547	GLN	0	0.018	-0.011	67.563	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	548	GLY	0	-0.015	-0.008	70.386	0.000	0.000	0.000	0.000	0.000	0.000
479	A	549	SER	0	-0.012	0.010	66.044	0.001	0.001	0.000	0.000	0.000	0.000
480	A	550	GLN	0	0.051	0.019	67.553	-0.004	-0.004	0.000	0.000	0.000	0.000
481	A	551	TRP	0	-0.039	-0.050	63.083	0.004	0.004	0.000	0.000	0.000	0.000
482	A	552	ALA	0	-0.012	-0.010	68.608	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	553	SER	0	-0.015	-0.032	66.978	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	554	MET	0	-0.030	0.011	64.560	-0.002	-0.002	0.000	0.000	0.000	0.000
485	A	555	GLY	0	0.039	0.013	61.882	-0.004	-0.004	0.000	0.000	0.000	0.000
486	A	556	ALA	0	-0.009	-0.005	61.393	-0.002	-0.002	0.000	0.000	0.000	0.000
487	A	557	GLU	-1	-0.784	-0.895	58.297	-0.109	-0.109	0.000	0.000	0.000	0.000
488	A	558	LEU	0	0.024	-0.011	55.367	-0.003	-0.003	0.000	0.000	0.000	0.000
489	A	559	LEU	0	-0.034	-0.006	56.370	-0.004	-0.004	0.000	0.000	0.000	0.000
490	A	560	ASP	-1	-0.928	-0.949	57.445	-0.096	-0.096	0.000	0.000	0.000	0.000
491	A	561	ARG	1	0.769	0.897	53.998	0.110	0.110	0.000	0.000	0.000	0.000
492	A	562	GLU	-1	-0.792	-0.884	50.613	-0.154	-0.154	0.000	0.000	0.000	0.000
493	A	563	PRO	0	-0.006	-0.003	49.766	0.004	0.004	0.000	0.000	0.000	0.000
494	A	564	ALA	0	0.028	0.019	49.490	0.004	0.004	0.000	0.000	0.000	0.000
495	A	565	PHE	0	0.022	0.010	51.586	0.003	0.003	0.000	0.000	0.000	0.000
496	A	566	ALA	0	0.020	-0.006	54.866	0.004	0.004	0.000	0.000	0.000	0.000
497	A	567	ALA	0	-0.056	-0.023	53.176	0.004	0.004	0.000	0.000	0.000	0.000
498	A	568	ALA	0	0.048	0.030	54.782	0.003	0.003	0.000	0.000	0.000	0.000
499	A	569	ILE	0	-0.009	-0.003	56.304	0.004	0.004	0.000	0.000	0.000	0.000
500	A	570	ALA	0	-0.041	-0.021	58.047	0.004	0.004	0.000	0.000	0.000	0.000
501	A	571	GLU	-1	-0.955	-0.975	55.918	-0.105	-0.105	0.000	0.000	0.000	0.000
502	A	572	LEU	0	0.016	-0.002	59.308	0.003	0.003	0.000	0.000	0.000	0.000
503	A	573	GLU	-1	-0.808	-0.850	61.963	-0.075	-0.075	0.000	0.000	0.000	0.000
504	A	574	PRO	0	-0.046	-0.028	62.775	0.003	0.003	0.000	0.000	0.000	0.000
505	A	575	LEU	0	0.018	0.013	61.253	0.003	0.003	0.000	0.000	0.000	0.000
506	A	576	ILE	0	0.040	0.005	64.804	0.002	0.002	0.000	0.000	0.000	0.000
507	A	577	ALA	0	-0.031	0.001	67.775	0.003	0.003	0.000	0.000	0.000	0.000
508	A	578	ALA	0	-0.039	-0.019	69.195	0.003	0.003	0.000	0.000	0.000	0.000
509	A	579	GLU	-1	-0.831	-0.902	69.056	-0.069	-0.069	0.000	0.000	0.000	0.000
510	A	580	SER	0	-0.075	-0.051	71.472	0.002	0.002	0.000	0.000	0.000	0.000
511	A	581	ASP	-1	-0.985	-0.969	73.086	-0.058	-0.058	0.000	0.000	0.000	0.000
512	A	582	PHE	0	-0.054	-0.039	70.083	0.001	0.001	0.000	0.000	0.000	0.000
513	A	583	SER	0	-0.003	-0.008	68.208	-0.002	-0.002	0.000	0.000	0.000	0.000
514	A	584	VAL	0	0.052	0.012	64.614	0.000	0.000	0.000	0.000	0.000	0.000
515	A	585	THR	0	0.000	-0.037	63.879	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	586	GLU	-1	-0.970	-0.979	65.786	-0.067	-0.067	0.000	0.000	0.000	0.000
517	A	587	ALA	0	-0.045	-0.031	68.977	0.000	0.000	0.000	0.000	0.000	0.000
518	A	588	LEU	0	-0.041	-0.015	62.817	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	589	THR	0	-0.049	-0.028	64.810	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	590	ALA	0	0.024	0.036	67.359	0.002	0.002	0.000	0.000	0.000	0.000
521	A	591	SER	0	0.007	0.014	70.586	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	592	GLU	-1	-1.009	-0.998	72.649	-0.063	-0.063	0.000	0.000	0.000	0.000
523	A	593	THR	0	-0.030	-0.021	71.370	-0.002	-0.002	0.000	0.000	0.000	0.000
524	A	594	VAL	0	0.026	0.031	70.127	0.002	0.002	0.000	0.000	0.000	0.000
525	A	595	THR	0	-0.013	-0.031	73.011	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	596	GLY	0	0.013	0.022	76.117	0.000	0.000	0.000	0.000	0.000	0.000
527	A	597	ILE	0	0.057	0.022	75.436	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	598	ASP	-1	-0.875	-0.942	75.250	-0.067	-0.067	0.000	0.000	0.000	0.000
529	A	599	ARG	1	0.967	0.986	72.523	0.066	0.066	0.000	0.000	0.000	0.000
530	A	600	VAL	0	-0.040	0.005	70.897	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	601	GLN	0	0.073	0.027	69.341	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	602	PRO	0	0.044	0.022	67.562	-0.003	-0.003	0.000	0.000	0.000	0.000
533	A	603	THR	0	0.009	-0.022	66.141	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	604	ILE	0	-0.057	-0.027	64.919	-0.003	-0.003	0.000	0.000	0.000	0.000
535	A	605	PHE	0	0.018	0.006	61.782	-0.004	-0.004	0.000	0.000	0.000	0.000
536	A	606	ALA	0	0.032	0.015	61.710	-0.004	-0.004	0.000	0.000	0.000	0.000
537	A	607	VAL	0	-0.006	-0.008	60.242	-0.004	-0.004	0.000	0.000	0.000	0.000
538	A	608	GLN	0	-0.053	-0.036	58.846	-0.004	-0.004	0.000	0.000	0.000	0.000
539	A	609	VAL	0	0.052	0.029	56.656	-0.006	-0.006	0.000	0.000	0.000	0.000
540	A	610	ALA	0	-0.016	-0.002	55.571	-0.005	-0.005	0.000	0.000	0.000	0.000
541	A	611	LEU	0	-0.042	-0.033	54.551	-0.005	-0.005	0.000	0.000	0.000	0.000
542	A	612	ALA	0	0.021	0.015	52.717	-0.006	-0.006	0.000	0.000	0.000	0.000
543	A	613	ALA	0	-0.005	0.001	50.940	-0.008	-0.008	0.000	0.000	0.000	0.000
544	A	614	ALA	0	0.002	-0.009	49.774	-0.006	-0.006	0.000	0.000	0.000	0.000
545	A	615	MET	0	-0.016	0.027	48.774	-0.008	-0.008	0.000	0.000	0.000	0.000
546	A	616	ARG	1	1.006	1.016	45.716	0.162	0.162	0.000	0.000	0.000	0.000
547	A	617	SER	0	-0.122	-0.079	44.959	-0.008	-0.008	0.000	0.000	0.000	0.000
548	A	618	HIS	0	-0.015	-0.024	44.204	-0.011	-0.011	0.000	0.000	0.000	0.000
549	A	619	GLY	0	-0.002	0.004	41.742	-0.008	-0.008	0.000	0.000	0.000	0.000
550	A	620	VAL	0	-0.024	-0.012	42.575	-0.008	-0.008	0.000	0.000	0.000	0.000
551	A	621	VAL	0	-0.020	-0.016	43.820	0.010	0.010	0.000	0.000	0.000	0.000
552	A	622	PRO	0	-0.007	0.000	46.409	-0.006	-0.006	0.000	0.000	0.000	0.000
553	A	623	GLY	0	0.005	-0.001	47.674	-0.004	-0.004	0.000	0.000	0.000	0.000
554	A	624	ALA	0	-0.023	-0.020	48.462	0.002	0.002	0.000	0.000	0.000	0.000
555	A	625	VAL	0	-0.018	0.000	52.152	0.000	0.000	0.000	0.000	0.000	0.000
556	A	626	ILE	0	0.012	0.001	55.435	0.002	0.002	0.000	0.000	0.000	0.000
557	A	627	GLY	0	0.029	0.026	59.003	0.000	0.000	0.000	0.000	0.000	0.000
558	A	628	HIS	0	-0.032	-0.019	62.033	0.001	0.001	0.000	0.000	0.000	0.000
559	A	629	SER	0	0.000	-0.014	65.497	0.002	0.002	0.000	0.000	0.000	0.000
560	A	630	MET	0	0.011	0.011	65.818	0.000	0.000	0.000	0.000	0.000	0.000
561	A	631	GLY	0	0.017	0.016	63.963	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	632	GLU	-1	-0.753	-0.853	62.230	-0.106	-0.106	0.000	0.000	0.000	0.000
563	A	633	VAL	0	-0.009	0.025	62.092	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	634	ALA	0	0.025	0.005	59.730	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	635	ALA	0	-0.008	0.003	57.905	-0.004	-0.004	0.000	0.000	0.000	0.000
566	A	636	SER	0	0.030	-0.002	57.263	-0.004	-0.004	0.000	0.000	0.000	0.000
567	A	637	VAL	0	-0.026	0.005	56.608	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	638	VAL	0	-0.077	-0.039	52.807	-0.004	-0.004	0.000	0.000	0.000	0.000
569	A	639	SER	0	-0.075	-0.046	52.684	-0.006	-0.006	0.000	0.000	0.000	0.000
570	A	640	GLY	0	0.065	0.027	52.997	-0.005	-0.005	0.000	0.000	0.000	0.000
571	A	641	ALA	0	-0.004	0.028	54.325	0.002	0.002	0.000	0.000	0.000	0.000
572	A	642	LEU	0	-0.013	-0.007	57.489	0.005	0.005	0.000	0.000	0.000	0.000
573	A	643	SER	0	0.064	0.037	57.544	-0.003	-0.003	0.000	0.000	0.000	0.000
574	A	644	LEU	0	0.041	0.008	57.539	0.001	0.001	0.000	0.000	0.000	0.000
575	A	645	GLU	-1	-0.912	-0.973	59.342	-0.094	-0.094	0.000	0.000	0.000	0.000
576	A	646	ASP	-1	-0.816	-0.920	62.013	-0.086	-0.086	0.000	0.000	0.000	0.000
577	A	647	GLY	0	0.017	0.007	62.161	0.002	0.002	0.000	0.000	0.000	0.000
578	A	648	VAL	0	-0.027	-0.018	63.133	0.002	0.002	0.000	0.000	0.000	0.000
579	A	649	LYS	1	0.897	0.954	65.427	0.081	0.081	0.000	0.000	0.000	0.000
580	A	650	VAL	0	0.023	0.020	65.854	0.003	0.003	0.000	0.000	0.000	0.000
581	A	651	ILE	0	-0.046	-0.031	66.287	0.003	0.003	0.000	0.000	0.000	0.000
582	A	652	CYS	0	-0.047	-0.014	68.220	0.002	0.002	0.000	0.000	0.000	0.000
583	A	653	ARG	1	0.798	0.890	70.894	0.074	0.074	0.000	0.000	0.000	0.000
584	A	654	ARG	1	0.927	0.966	69.857	0.083	0.083	0.000	0.000	0.000	0.000
585	A	655	THR	0	0.029	0.012	72.009	0.002	0.002	0.000	0.000	0.000	0.000
586	A	656	ARG	1	0.929	0.953	74.798	0.066	0.066	0.000	0.000	0.000	0.000
587	A	657	LEU	0	-0.016	0.001	76.474	0.003	0.003	0.000	0.000	0.000	0.000
588	A	658	MET	0	-0.027	-0.013	74.548	0.001	0.001	0.000	0.000	0.000	0.000
589	A	659	THR	0	-0.029	-0.015	78.684	0.001	0.001	0.000	0.000	0.000	0.000
590	A	660	ARG	1	0.748	0.873	80.785	0.058	0.058	0.000	0.000	0.000	0.000
591	A	661	ILE	0	-0.028	-0.003	80.045	0.002	0.002	0.000	0.000	0.000	0.000
592	A	662	ALA	0	0.008	0.009	81.980	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	663	GLY	0	-0.047	-0.026	83.274	0.002	0.002	0.000	0.000	0.000	0.000
594	A	664	SER	0	-0.076	-0.027	84.999	0.002	0.002	0.000	0.000	0.000	0.000
595	A	665	GLY	0	-0.006	-0.002	84.291	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	666	ALA	0	-0.034	-0.018	83.326	0.000	0.000	0.000	0.000	0.000	0.000
597	A	667	MET	0	0.038	0.014	76.094	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	668	ALA	0	-0.003	0.009	80.234	0.001	0.001	0.000	0.000	0.000	0.000
599	A	669	MET	0	-0.007	0.026	73.058	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	670	VAL	0	-0.006	-0.008	77.903	0.002	0.002	0.000	0.000	0.000	0.000
601	A	671	GLU	-1	-0.914	-0.957	75.347	-0.085	-0.085	0.000	0.000	0.000	0.000
602	A	672	LEU	0	-0.024	-0.019	77.337	0.001	0.001	0.000	0.000	0.000	0.000
603	A	673	PRO	0	0.044	0.036	74.411	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	674	ALA	0	0.078	0.039	73.875	0.002	0.002	0.000	0.000	0.000	0.000
605	A	675	GLN	0	-0.006	-0.011	75.524	0.004	0.004	0.000	0.000	0.000	0.000
606	A	676	GLN	0	0.014	0.001	77.210	0.000	0.000	0.000	0.000	0.000	0.000
607	A	677	VAL	0	0.047	0.028	78.758	0.002	0.002	0.000	0.000	0.000	0.000
608	A	678	LEU	0	0.008	-0.001	77.745	0.002	0.002	0.000	0.000	0.000	0.000
609	A	679	SER	0	-0.029	-0.015	80.831	0.002	0.002	0.000	0.000	0.000	0.000
610	A	680	GLU	-1	-0.811	-0.885	83.252	-0.064	-0.064	0.000	0.000	0.000	0.000
611	A	681	LEU	0	-0.008	-0.004	82.071	0.002	0.002	0.000	0.000	0.000	0.000
612	A	682	ALA	0	0.036	0.032	84.813	0.002	0.002	0.000	0.000	0.000	0.000
613	A	683	SER	0	-0.115	-0.060	86.672	0.002	0.002	0.000	0.000	0.000	0.000
614	A	684	ARG	1	0.908	0.950	88.584	0.059	0.059	0.000	0.000	0.000	0.000
615	A	685	GLY	0	-0.043	-0.013	90.112	0.001	0.001	0.000	0.000	0.000	0.000
616	A	686	VAL	0	-0.033	-0.005	86.975	0.001	0.001	0.000	0.000	0.000	0.000
617	A	687	ASP	-1	-0.899	-0.951	86.467	-0.057	-0.057	0.000	0.000	0.000	0.000
618	A	688	ASP	-1	-0.850	-0.879	86.254	-0.057	-0.057	0.000	0.000	0.000	0.000
619	A	689	VAL	0	-0.040	-0.030	83.327	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	690	VAL	0	-0.002	0.006	79.368	0.000	0.000	0.000	0.000	0.000	0.000
621	A	691	LEU	0	-0.009	-0.015	75.700	0.000	0.000	0.000	0.000	0.000	0.000
622	A	692	SER	0	0.012	0.006	75.977	0.000	0.000	0.000	0.000	0.000	0.000
623	A	693	VAL	0	-0.009	-0.009	70.400	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	694	VAL	0	-0.005	0.000	69.949	0.002	0.002	0.000	0.000	0.000	0.000
625	A	695	ALA	0	0.028	0.009	67.529	-0.003	-0.003	0.000	0.000	0.000	0.000
626	A	696	SER	0	0.005	-0.028	66.838	-0.003	-0.003	0.000	0.000	0.000	0.000
627	A	697	PRO	0	0.011	0.016	67.087	0.003	0.003	0.000	0.000	0.000	0.000
628	A	698	GLN	0	-0.048	-0.039	69.947	0.004	0.004	0.000	0.000	0.000	0.000
629	A	699	SER	0	0.001	0.013	72.021	0.002	0.002	0.000	0.000	0.000	0.000
630	A	700	THR	0	-0.023	-0.017	72.802	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	701	VAL	0	0.007	0.008	74.039	0.002	0.002	0.000	0.000	0.000	0.000
632	A	702	VAL	0	-0.009	0.003	76.541	0.000	0.000	0.000	0.000	0.000	0.000
633	A	703	GLY	0	0.070	0.024	79.633	0.000	0.000	0.000	0.000	0.000	0.000
634	A	704	GLY	0	0.036	0.008	81.085	0.000	0.000	0.000	0.000	0.000	0.000
635	A	705	ALA	0	0.010	0.018	84.183	0.000	0.000	0.000	0.000	0.000	0.000
636	A	706	THR	0	0.029	0.006	87.385	0.000	0.000	0.000	0.000	0.000	0.000
637	A	707	ALA	0	-0.059	-0.035	88.366	0.000	0.000	0.000	0.000	0.000	0.000
638	A	708	SER	0	0.041	-0.025	88.734	0.000	0.000	0.000	0.000	0.000	0.000
639	A	709	VAL	0	-0.003	0.010	84.057	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	710	ARG	1	0.829	0.882	86.834	0.057	0.057	0.000	0.000	0.000	0.000
641	A	711	GLU	-1	-0.965	-0.964	88.827	-0.053	-0.053	0.000	0.000	0.000	0.000
642	A	712	LEU	0	-0.029	-0.024	85.522	0.000	0.000	0.000	0.000	0.000	0.000
643	A	713	ILE	0	-0.014	0.000	84.604	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	714	GLU	-1	-0.896	-0.941	86.930	-0.057	-0.057	0.000	0.000	0.000	0.000
645	A	715	MET	0	-0.103	-0.038	88.520	0.000	0.000	0.000	0.000	0.000	0.000
646	A	716	TRP	0	-0.030	-0.056	83.099	0.000	0.000	0.000	0.000	0.000	0.000
647	A	717	GLU	-1	-0.823	-0.911	84.878	-0.065	-0.065	0.000	0.000	0.000	0.000
648	A	718	SER	0	-0.115	-0.044	87.725	0.000	0.000	0.000	0.000	0.000	0.000
649	A	719	ARG	1	0.783	0.881	84.641	0.065	0.065	0.000	0.000	0.000	0.000
650	A	720	GLY	0	-0.049	-0.023	86.759	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	721	VAL	0	-0.077	-0.034	81.618	-0.002	-0.002	0.000	0.000	0.000	0.000
652	A	722	MET	0	-0.015	0.005	77.222	0.002	0.002	0.000	0.000	0.000	0.000
653	A	723	ALA	0	-0.001	-0.014	81.029	-0.002	-0.002	0.000	0.000	0.000	0.000
654	A	724	ARG	1	0.939	0.970	78.354	0.074	0.074	0.000	0.000	0.000	0.000
655	A	725	GLU	-1	-0.805	-0.893	80.689	-0.062	-0.062	0.000	0.000	0.000	0.000
656	A	726	ILE	0	-0.053	-0.033	75.915	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	727	ALA	0	-0.040	-0.018	79.360	0.001	0.001	0.000	0.000	0.000	0.000
658	A	728	VAL	0	-0.001	-0.009	76.990	-0.002	-0.002	0.000	0.000	0.000	0.000
659	A	729	ASP	-1	-0.908	-0.945	78.239	-0.065	-0.065	0.000	0.000	0.000	0.000
660	A	730	VAL	0	0.025	0.000	77.982	0.002	0.002	0.000	0.000	0.000	0.000
661	A	731	ALA	0	0.022	0.028	78.487	-0.002	-0.002	0.000	0.000	0.000	0.000
662	A	732	SER	0	0.024	0.017	74.444	0.001	0.001	0.000	0.000	0.000	0.000
663	A	733	HIS	0	-0.002	0.026	71.328	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	734	SER	0	-0.017	-0.030	76.365	0.001	0.001	0.000	0.000	0.000	0.000
665	A	735	PRO	0	0.027	-0.010	80.085	0.000	0.000	0.000	0.000	0.000	0.000
666	A	736	GLN	0	-0.019	0.002	82.438	0.002	0.002	0.000	0.000	0.000	0.000
667	A	737	VAL	0	0.015	0.010	77.778	0.001	0.001	0.000	0.000	0.000	0.000
668	A	738	ASP	-1	-0.795	-0.896	80.605	-0.063	-0.063	0.000	0.000	0.000	0.000
669	A	739	PRO	0	-0.073	-0.036	82.365	0.000	0.000	0.000	0.000	0.000	0.000
670	A	740	ILE	0	-0.041	-0.028	78.361	0.001	0.001	0.000	0.000	0.000	0.000
671	A	741	LEU	0	0.005	0.008	76.716	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	742	ASP	-1	-0.892	-0.939	77.827	-0.061	-0.061	0.000	0.000	0.000	0.000
673	A	743	ASP	-1	-0.810	-0.904	78.959	-0.057	-0.057	0.000	0.000	0.000	0.000
674	A	744	LEU	0	-0.050	-0.027	72.921	-0.001	-0.001	0.000	0.000	0.000	0.000
675	A	745	ILE	0	-0.009	-0.017	74.216	-0.002	-0.002	0.000	0.000	0.000	0.000
676	A	746	GLU	-1	-0.985	-0.985	74.392	-0.058	-0.058	0.000	0.000	0.000	0.000
677	A	747	ALA	0	-0.054	-0.028	74.582	0.000	0.000	0.000	0.000	0.000	0.000
678	A	748	LEU	0	-0.031	-0.007	69.292	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	749	ALA	0	0.014	0.006	70.186	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	750	ASP	-1	-0.952	-0.978	68.897	-0.074	-0.074	0.000	0.000	0.000	0.000
681	A	751	LEU	0	-0.069	-0.020	65.440	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	752	ASP	-1	-0.979	-0.987	61.048	-0.091	-0.091	0.000	0.000	0.000	0.000
683	A	753	PRO	0	-0.033	-0.005	60.727	-0.003	-0.003	0.000	0.000	0.000	0.000
684	A	754	ALA	0	-0.022	-0.009	55.693	0.001	0.001	0.000	0.000	0.000	0.000
685	A	755	GLU	-1	-0.878	-0.948	54.067	-0.117	-0.117	0.000	0.000	0.000	0.000
686	A	756	PRO	0	-0.060	-0.010	54.141	-0.003	-0.003	0.000	0.000	0.000	0.000
687	A	757	GLU	-1	-0.955	-0.981	48.655	-0.159	-0.159	0.000	0.000	0.000	0.000
688	A	758	ILE	0	-0.119	-0.038	48.410	-0.008	-0.008	0.000	0.000	0.000	0.000
689	A	759	PRO	0	0.002	-0.005	49.701	0.007	0.007	0.000	0.000	0.000	0.000
690	A	760	TYR	0	0.023	-0.015	52.825	0.000	0.000	0.000	0.000	0.000	0.000
691	A	761	TYR	0	-0.068	-0.042	54.156	0.000	0.000	0.000	0.000	0.000	0.000
692	A	762	SER	0	0.024	0.001	59.044	0.003	0.003	0.000	0.000	0.000	0.000
693	A	763	ALA	0	-0.026	-0.016	62.522	0.000	0.000	0.000	0.000	0.000	0.000
694	A	764	THR	0	-0.039	-0.018	65.467	0.004	0.004	0.000	0.000	0.000	0.000
695	A	765	LEU	0	0.026	0.017	63.713	0.004	0.004	0.000	0.000	0.000	0.000
696	A	766	TYR	0	-0.106	-0.077	67.372	0.000	0.000	0.000	0.000	0.000	0.000
697	A	767	ASP	-1	-0.843	-0.929	63.121	-0.111	-0.111	0.000	0.000	0.000	0.000
698	A	768	PRO	0	-0.074	-0.017	61.144	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	769	ARG	1	0.808	0.885	56.596	0.130	0.130	0.000	0.000	0.000	0.000
700	A	770	ASP	-1	-0.910	-0.938	59.477	-0.105	-0.105	0.000	0.000	0.000	0.000
701	A	771	TYR	0	-0.144	-0.070	58.767	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	772	ALA	0	-0.002	-0.001	60.782	0.004	0.004	0.000	0.000	0.000	0.000
703	A	773	ASP	-1	-0.862	-0.940	61.508	-0.096	-0.096	0.000	0.000	0.000	0.000
704	A	774	TYR	0	-0.051	-0.033	59.101	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	775	ASP	-1	-0.777	-0.894	64.229	-0.083	-0.083	0.000	0.000	0.000	0.000
706	A	776	ALA	0	-0.017	-0.019	67.084	0.000	0.000	0.000	0.000	0.000	0.000
707	A	777	TYR	0	-0.017	-0.026	70.595	0.001	0.001	0.000	0.000	0.000	0.000
708	A	778	TYR	0	0.054	0.035	64.249	0.000	0.000	0.000	0.000	0.000	0.000
709	A	779	TRP	0	-0.011	-0.019	63.658	0.000	0.000	0.000	0.000	0.000	0.000
710	A	780	ALA	0	-0.032	-0.011	69.779	0.001	0.001	0.000	0.000	0.000	0.000
711	A	781	ASP	-1	-0.889	-0.950	70.986	-0.077	-0.077	0.000	0.000	0.000	0.000
712	A	782	ASN	0	-0.110	-0.048	67.460	0.002	0.002	0.000	0.000	0.000	0.000
713	A	783	LEU	0	-0.050	-0.022	70.372	0.000	0.000	0.000	0.000	0.000	0.000
714	A	784	ARG	1	0.845	0.911	73.375	0.069	0.069	0.000	0.000	0.000	0.000
715	A	785	HIS	0	-0.002	-0.006	72.503	0.002	0.002	0.000	0.000	0.000	0.000
716	A	786	THR	0	-0.088	-0.064	72.222	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	787	VAL	0	0.048	0.030	68.030	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	788	ARG	1	0.872	0.936	67.519	0.088	0.088	0.000	0.000	0.000	0.000
719	A	789	PHE	0	0.057	0.018	61.654	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	790	SER	0	-0.028	-0.009	63.807	-0.003	-0.003	0.000	0.000	0.000	0.000
721	A	791	ALA	0	0.032	0.001	63.814	-0.003	-0.003	0.000	0.000	0.000	0.000
722	A	792	ALA	0	0.052	0.031	61.174	-0.003	-0.003	0.000	0.000	0.000	0.000
723	A	793	VAL	0	-0.007	-0.009	59.280	-0.005	-0.005	0.000	0.000	0.000	0.000
724	A	794	GLN	0	-0.035	-0.016	58.881	-0.002	-0.002	0.000	0.000	0.000	0.000
725	A	795	ALA	0	0.007	0.010	58.843	-0.004	-0.004	0.000	0.000	0.000	0.000
726	A	796	ALA	0	0.044	0.022	55.280	-0.005	-0.005	0.000	0.000	0.000	0.000
727	A	797	LEU	0	-0.065	-0.032	54.267	-0.007	-0.007	0.000	0.000	0.000	0.000
728	A	798	GLU	-1	-0.871	-0.936	54.524	-0.133	-0.133	0.000	0.000	0.000	0.000
729	A	799	ASP	-1	-0.806	-0.860	52.331	-0.151	-0.151	0.000	0.000	0.000	0.000
730	A	800	GLY	0	-0.057	-0.033	50.024	-0.008	-0.008	0.000	0.000	0.000	0.000
731	A	801	HIS	0	-0.001	0.014	49.766	-0.011	-0.011	0.000	0.000	0.000	0.000
732	A	802	ARG	1	0.899	0.934	49.795	0.173	0.173	0.000	0.000	0.000	0.000
733	A	803	VAL	0	0.030	0.023	48.328	0.004	0.004	0.000	0.000	0.000	0.000
734	A	804	PHE	0	-0.020	-0.001	51.473	0.000	0.000	0.000	0.000	0.000	0.000
735	A	805	ALA	0	0.038	0.005	52.976	0.001	0.001	0.000	0.000	0.000	0.000
736	A	806	GLU	-1	-0.741	-0.815	55.128	-0.110	-0.110	0.000	0.000	0.000	0.000
737	A	807	LEU	0	-0.025	-0.001	53.805	0.000	0.000	0.000	0.000	0.000	0.000
738	A	808	SER	0	-0.019	-0.040	57.906	0.004	0.004	0.000	0.000	0.000	0.000
739	A	809	PRO	0	0.037	0.012	60.885	-0.002	-0.002	0.000	0.000	0.000	0.000
740	A	810	HIS	0	0.027	0.009	63.239	0.001	0.001	0.000	0.000	0.000	0.000
741	A	811	PRO	0	-0.008	0.022	61.662	0.001	0.001	0.000	0.000	0.000	0.000
742	A	812	LEU	0	-0.055	-0.051	63.424	0.003	0.003	0.000	0.000	0.000	0.000
743	A	813	LEU	0	-0.048	-0.037	63.056	0.002	0.002	0.000	0.000	0.000	0.000
744	A	814	THR	0	0.048	0.024	59.883	0.000	0.000	0.000	0.000	0.000	0.000
745	A	815	HIS	0	-0.016	-0.009	62.015	0.001	0.001	0.000	0.000	0.000	0.000
746	A	816	PRO	0	-0.001	0.003	64.634	-0.001	-0.001	0.000	0.000	0.000	0.000
747	A	817	VAL	0	0.061	0.039	58.682	0.000	0.000	0.000	0.000	0.000	0.000
748	A	818	GLU	-1	-0.895	-0.949	60.056	-0.123	-0.123	0.000	0.000	0.000	0.000
749	A	819	GLN	0	-0.061	-0.020	61.850	0.000	0.000	0.000	0.000	0.000	0.000
750	A	820	THR	0	0.017	0.005	62.402	0.003	0.003	0.000	0.000	0.000	0.000
751	A	821	ALA	0	0.042	0.039	58.816	0.000	0.000	0.000	0.000	0.000	0.000
752	A	822	ARG	1	0.942	0.964	60.762	0.114	0.114	0.000	0.000	0.000	0.000
753	A	823	SER	0	-0.121	-0.051	62.720	0.001	0.001	0.000	0.000	0.000	0.000
754	A	824	LEU	0	-0.018	-0.012	60.881	0.002	0.002	0.000	0.000	0.000	0.000
755	A	825	ASP	-1	-0.959	-0.963	60.271	-0.124	-0.124	0.000	0.000	0.000	0.000
756	A	826	MET	0	-0.032	-0.023	55.544	-0.007	-0.007	0.000	0.000	0.000	0.000
757	A	827	PRO	0	-0.044	-0.015	52.909	0.002	0.002	0.000	0.000	0.000	0.000
758	A	828	LEU	0	-0.016	-0.029	53.504	-0.002	-0.002	0.000	0.000	0.000	0.000
759	A	829	ALA	0	-0.007	0.006	51.800	0.001	0.001	0.000	0.000	0.000	0.000
760	A	830	VAL	0	-0.010	0.001	53.853	-0.001	-0.001	0.000	0.000	0.000	0.000
761	A	831	PHE	0	0.022	0.012	51.444	0.001	0.001	0.000	0.000	0.000	0.000
762	A	832	ALA	0	-0.011	-0.021	55.915	0.003	0.003	0.000	0.000	0.000	0.000
763	A	833	ALA	0	-0.002	0.021	55.532	-0.002	-0.002	0.000	0.000	0.000	0.000
764	A	834	MET	0	-0.036	-0.007	56.510	0.000	0.000	0.000	0.000	0.000	0.000
765	A	835	ARG	1	0.919	0.956	59.647	0.106	0.106	0.000	0.000	0.000	0.000
766	A	836	ARG	1	0.958	0.970	62.886	0.089	0.089	0.000	0.000	0.000	0.000
767	A	837	GLN	0	-0.033	-0.026	65.747	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	838	GLN	0	-0.014	0.010	57.084	0.002	0.002	0.000	0.000	0.000	0.000
769	A	839	GLU	-1	-0.898	-0.938	60.466	-0.097	-0.097	0.000	0.000	0.000	0.000
770	A	840	MET	0	-0.097	-0.046	55.938	-0.003	-0.003	0.000	0.000	0.000	0.000
771	A	841	PRO	0	0.024	0.001	55.176	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	842	HIS	0	-0.024	-0.021	50.405	-0.002	-0.002	0.000	0.000	0.000	0.000
773	A	843	GLY	0	0.022	0.018	51.141	-0.006	-0.006	0.000	0.000	0.000	0.000
774	A	844	LEU	0	-0.001	-0.017	51.290	0.002	0.002	0.000	0.000	0.000	0.000
775	A	845	LEU	0	0.041	0.017	45.728	-0.005	-0.005	0.000	0.000	0.000	0.000
776	A	846	GLY	0	0.005	0.000	48.238	-0.006	-0.006	0.000	0.000	0.000	0.000
777	A	847	PHE	0	0.033	0.014	50.431	-0.002	-0.002	0.000	0.000	0.000	0.000
778	A	848	VAL	0	0.014	-0.003	44.766	-0.003	-0.003	0.000	0.000	0.000	0.000
779	A	849	ALA	0	-0.020	-0.013	45.757	-0.008	-0.008	0.000	0.000	0.000	0.000
780	A	850	ASP	-1	-0.902	-0.947	46.745	-0.166	-0.166	0.000	0.000	0.000	0.000
781	A	851	LEU	0	-0.045	-0.020	47.563	-0.003	-0.003	0.000	0.000	0.000	0.000
782	A	852	HIS	0	0.046	0.027	39.695	0.005	0.005	0.000	0.000	0.000	0.000
783	A	853	SER	0	-0.035	-0.023	44.141	-0.009	-0.009	0.000	0.000	0.000	0.000
784	A	854	ALA	0	-0.015	-0.016	46.006	0.000	0.000	0.000	0.000	0.000	0.000
785	A	855	GLY	0	-0.002	0.003	43.816	0.001	0.001	0.000	0.000	0.000	0.000
786	A	856	ALA	0	-0.030	-0.009	44.012	-0.004	-0.004	0.000	0.000	0.000	0.000
787	A	857	ALA	0	0.007	0.002	41.301	-0.006	-0.006	0.000	0.000	0.000	0.000
788	A	858	VAL	0	-0.022	-0.018	40.752	0.012	0.012	0.000	0.000	0.000	0.000
789	A	859	ASP	-1	-0.828	-0.873	36.714	-0.297	-0.297	0.000	0.000	0.000	0.000
790	A	860	PHE	0	0.032	-0.012	36.574	0.008	0.008	0.000	0.000	0.000	0.000
791	A	861	SER	0	-0.153	-0.097	34.121	-0.001	-0.001	0.000	0.000	0.000	0.000
792	A	862	VAL	0	0.023	0.018	35.635	0.002	0.002	0.000	0.000	0.000	0.000
793	A	863	LEU	0	0.009	0.004	38.975	0.006	0.006	0.000	0.000	0.000	0.000
794	A	864	TYR	0	-0.049	-0.015	35.572	0.008	0.008	0.000	0.000	0.000	0.000
795	A	865	PRO	0	0.060	0.042	34.348	-0.025	-0.025	0.000	0.000	0.000	0.000
796	A	866	THR	0	-0.084	-0.054	30.527	-0.020	-0.020	0.000	0.000	0.000	0.000
797	A	867	GLY	0	0.055	0.027	30.223	0.021	0.021	0.000	0.000	0.000	0.000
798	A	868	ARG	1	0.826	0.916	28.000	0.280	0.280	0.000	0.000	0.000	0.000
799	A	869	LEU	0	0.012	0.014	24.648	0.019	0.019	0.000	0.000	0.000	0.000
800	A	870	LEU	0	-0.035	-0.013	27.641	-0.005	-0.005	0.000	0.000	0.000	0.000
801	A	871	ASP	-1	-0.867	-0.948	26.949	-0.496	-0.496	0.000	0.000	0.000	0.000
802	A	872	ALA	0	-0.029	-0.013	29.806	0.018	0.018	0.000	0.000	0.000	0.000
803	A	873	PRO	0	-0.032	-0.024	32.580	-0.019	-0.019	0.000	0.000	0.000	0.000
804	A	874	LEU	0	-0.014	0.006	29.529	0.003	0.003	0.000	0.000	0.000	0.000
805	A	875	PRO	0	0.003	0.000	33.948	0.014	0.014	0.000	0.000	0.000	0.000
806	A	876	ALA	0	-0.024	0.004	36.767	-0.010	-0.010	0.000	0.000	0.000	0.000
807	A	877	TRP	0	-0.074	-0.061	33.266	0.003	0.003	0.000	0.000	0.000	0.000
808	A	878	THR	0	-0.037	-0.051	39.634	0.016	0.016	0.000	0.000	0.000	0.000
809	A	879	HIS	0	-0.111	-0.065	37.781	0.009	0.009	0.000	0.000	0.000	0.000
810	A	880	SER	0	0.012	0.008	42.941	0.008	0.008	0.000	0.000	0.000	0.000
811	A	881	THR	0	-0.032	-0.023	44.277	-0.005	-0.005	0.000	0.000	0.000	0.000
812	A	882	LEU	0	-0.016	0.002	43.111	0.009	0.009	0.000	0.000	0.000	0.000
813	A	883	LEU	0	-0.004	-0.029	43.565	-0.010	-0.010	0.000	0.000	0.000	0.000
814	A	884	LEU	0	-0.024	0.006	45.298	0.008	0.008	0.000	0.000	0.000	0.000
815	A	885	ASP	-1	-0.889	-0.940	47.686	-0.150	-0.150	0.000	0.000	0.000	0.000
816	A	886	ARG	1	0.857	0.903	50.416	0.127	0.127	0.000	0.000	0.000	0.000
817	A	887	GLU	-1	-0.977	-0.958	46.657	-0.159	-0.159	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:4:ASN)