FMO DATABASE

FMODB ID: 14YYZ

Calculation Name: 2BTV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2BTV

Chain ID: A

ChEMBL ID:

UniProt ID: P56582

Base Structure: X-ray

Registration Date: 2023-03-13

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	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	845
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21551133.359602
FMO2-HF: Nuclear repulsion	21209321.077954
FMO2-HF: Total energy	-341812.281647
FMO2-MP2: Total energy	-342802.49213

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:57:VAL)

Summations of interaction energy for fragment #1(A:57:VAL)

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.
-34.161	-29.556	16.722	-9.949	-11.376	-0.005

Interaction energy analysis for fragmet #1(A:57:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.023 / q_NPA : -0.011

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	59	PHE	0	-0.018	0.001	3.390	-3.582	0.104	0.009	-1.865	-1.829	-0.003
4	A	60	THR	0	0.011	0.002	6.221	-0.705	-0.705	0.000	0.000	0.000	0.000
5	A	61	VAL	0	-0.008	-0.013	9.394	0.187	0.187	0.000	0.000	0.000	0.000
6	A	62	PRO	0	0.030	0.011	13.083	-0.114	-0.114	0.000	0.000	0.000	0.000
7	A	63	ASP	-1	-0.881	-0.940	15.961	0.363	0.363	0.000	0.000	0.000	0.000
8	A	64	VAL	0	0.018	0.009	18.105	-0.037	-0.037	0.000	0.000	0.000	0.000
9	A	65	GLN	0	-0.045	-0.032	15.377	-0.037	-0.037	0.000	0.000	0.000	0.000
10	A	66	GLN	0	-0.018	0.001	18.183	-0.037	-0.037	0.000	0.000	0.000	0.000
11	A	67	ILE	0	0.045	0.015	20.818	-0.025	-0.025	0.000	0.000	0.000	0.000
12	A	68	LEU	0	-0.007	-0.003	18.132	-0.014	-0.014	0.000	0.000	0.000	0.000
13	A	69	ASP	-1	-0.853	-0.919	19.934	-0.012	-0.012	0.000	0.000	0.000	0.000
14	A	70	ASP	-1	-0.895	-0.953	22.815	0.068	0.068	0.000	0.000	0.000	0.000
15	A	71	ILE	0	0.010	-0.008	24.455	-0.008	-0.008	0.000	0.000	0.000	0.000
16	A	72	LYS	1	0.817	0.906	19.550	0.018	0.018	0.000	0.000	0.000	0.000
17	A	73	ALA	0	-0.025	-0.009	25.620	-0.012	-0.012	0.000	0.000	0.000	0.000
18	A	74	LEU	0	0.007	0.002	28.384	-0.004	-0.004	0.000	0.000	0.000	0.000
19	A	75	ALA	0	0.004	0.005	28.934	-0.002	-0.002	0.000	0.000	0.000	0.000
20	A	76	ALA	0	-0.053	-0.022	30.806	-0.007	-0.007	0.000	0.000	0.000	0.000
21	A	77	GLU	-1	-0.846	-0.908	32.827	0.027	0.027	0.000	0.000	0.000	0.000
22	A	78	GLN	0	-0.045	-0.025	35.806	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	79	VAL	0	-0.061	-0.026	38.569	0.000	0.000	0.000	0.000	0.000	0.000
24	A	80	TYR	0	-0.036	-0.057	38.921	0.000	0.000	0.000	0.000	0.000	0.000
25	A	81	LYS	1	0.943	0.972	43.358	-0.003	-0.003	0.000	0.000	0.000	0.000
26	A	82	ILE	0	0.044	0.028	43.607	0.001	0.001	0.000	0.000	0.000	0.000
27	A	83	VAL	0	-0.041	-0.022	47.193	-0.001	-0.001	0.000	0.000	0.000	0.000
28	A	84	LYS	1	0.853	0.902	50.749	0.015	0.015	0.000	0.000	0.000	0.000
29	A	85	VAL	0	0.011	0.003	54.018	0.000	0.000	0.000	0.000	0.000	0.000
30	A	86	PRO	0	0.009	0.027	54.835	0.000	0.000	0.000	0.000	0.000	0.000
31	A	87	SER	0	-0.026	-0.014	55.518	0.000	0.000	0.000	0.000	0.000	0.000
32	A	88	THR	0	-0.041	-0.037	57.211	0.001	0.001	0.000	0.000	0.000	0.000
33	A	89	SER	0	-0.034	-0.005	59.791	0.001	0.001	0.000	0.000	0.000	0.000
34	A	90	PHE	0	0.010	0.009	61.734	0.001	0.001	0.000	0.000	0.000	0.000
35	A	91	ARG	1	0.836	0.884	64.770	-0.008	-0.008	0.000	0.000	0.000	0.000
36	A	92	HIS	0	0.016	0.001	67.007	0.001	0.001	0.000	0.000	0.000	0.000
37	A	93	ILE	0	0.000	0.004	70.840	-0.001	-0.001	0.000	0.000	0.000	0.000
38	A	94	VAL	0	-0.022	-0.023	72.856	0.000	0.000	0.000	0.000	0.000	0.000
39	A	95	THR	0	0.068	0.037	76.249	0.000	0.000	0.000	0.000	0.000	0.000
40	A	96	GLN	0	0.005	0.022	79.217	0.000	0.000	0.000	0.000	0.000	0.000
41	A	97	SER	0	0.012	-0.013	81.110	0.000	0.000	0.000	0.000	0.000	0.000
42	A	98	ARG	1	0.874	0.924	81.561	0.000	0.000	0.000	0.000	0.000	0.000
43	A	99	ASP	-1	-0.837	-0.879	82.738	0.003	0.003	0.000	0.000	0.000	0.000
44	A	100	ARG	1	0.807	0.879	80.045	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	101	VAL	0	-0.002	0.031	75.305	0.000	0.000	0.000	0.000	0.000	0.000
46	A	102	LEU	0	0.048	0.031	74.129	0.000	0.000	0.000	0.000	0.000	0.000
47	A	103	ARG	1	0.767	0.891	69.484	-0.006	-0.006	0.000	0.000	0.000	0.000
48	A	104	VAL	0	-0.003	-0.011	66.000	0.001	0.001	0.000	0.000	0.000	0.000
49	A	105	ASP	-1	-0.807	-0.900	62.706	0.010	0.010	0.000	0.000	0.000	0.000
50	A	106	THR	0	-0.045	-0.003	61.459	0.000	0.000	0.000	0.000	0.000	0.000
51	A	107	TYR	0	0.003	-0.039	55.549	0.001	0.001	0.000	0.000	0.000	0.000
52	A	108	TYR	0	0.010	-0.042	58.995	0.001	0.001	0.000	0.000	0.000	0.000
53	A	109	GLU	-1	-0.777	-0.861	61.496	0.010	0.010	0.000	0.000	0.000	0.000
54	A	110	GLU	-1	-0.801	-0.878	56.368	0.010	0.010	0.000	0.000	0.000	0.000
55	A	111	MET	0	0.007	0.008	53.705	0.002	0.002	0.000	0.000	0.000	0.000
56	A	112	SER	0	-0.061	-0.040	57.612	0.002	0.002	0.000	0.000	0.000	0.000
57	A	113	GLN	0	-0.043	-0.041	57.628	0.000	0.000	0.000	0.000	0.000	0.000
58	A	114	VAL	0	-0.006	0.021	51.631	0.000	0.000	0.000	0.000	0.000	0.000
59	A	115	GLY	0	-0.020	-0.005	52.317	0.001	0.001	0.000	0.000	0.000	0.000
60	A	116	ASP	-1	-0.860	-0.895	51.613	0.032	0.032	0.000	0.000	0.000	0.000
61	A	117	VAL	0	-0.009	-0.009	54.781	0.000	0.000	0.000	0.000	0.000	0.000
62	A	118	ILE	0	-0.021	-0.013	56.663	0.002	0.002	0.000	0.000	0.000	0.000
63	A	119	THR	0	-0.072	-0.071	57.118	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	120	GLU	-1	-0.825	-0.885	57.765	0.033	0.033	0.000	0.000	0.000	0.000
65	A	121	ASP	-1	-0.927	-0.967	57.823	0.039	0.039	0.000	0.000	0.000	0.000
66	A	122	GLU	-1	-0.804	-0.852	53.630	0.041	0.041	0.000	0.000	0.000	0.000
67	A	123	PRO	0	-0.004	-0.017	51.644	0.000	0.000	0.000	0.000	0.000	0.000
68	A	124	GLU	-1	-0.802	-0.884	44.869	0.064	0.064	0.000	0.000	0.000	0.000
69	A	125	LYS	1	0.868	0.926	48.844	-0.037	-0.037	0.000	0.000	0.000	0.000
70	A	126	PHE	0	0.041	0.017	51.011	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	127	TYR	0	0.003	-0.016	47.967	0.000	0.000	0.000	0.000	0.000	0.000
72	A	128	SER	0	0.050	-0.009	45.188	0.000	0.000	0.000	0.000	0.000	0.000
73	A	129	THR	0	-0.049	-0.039	47.707	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	130	ILE	0	-0.016	0.002	50.216	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	131	ILE	0	-0.004	0.004	44.046	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	132	LYS	1	0.868	0.918	47.185	-0.035	-0.035	0.000	0.000	0.000	0.000
77	A	133	LYS	1	0.863	0.933	48.336	-0.027	-0.027	0.000	0.000	0.000	0.000
78	A	134	VAL	0	0.034	0.008	47.327	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	135	ARG	1	0.757	0.829	41.188	-0.047	-0.047	0.000	0.000	0.000	0.000
80	A	136	PHE	0	-0.008	-0.006	46.527	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	137	ILE	0	-0.031	0.003	49.510	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	138	ARG	1	0.881	0.924	40.981	-0.031	-0.031	0.000	0.000	0.000	0.000
83	A	139	GLY	0	-0.009	0.011	46.878	-0.002	-0.002	0.000	0.000	0.000	0.000
84	A	140	LYS	1	0.789	0.864	47.810	-0.011	-0.011	0.000	0.000	0.000	0.000
85	A	141	GLY	0	0.040	0.016	50.567	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	142	SER	0	-0.047	-0.027	45.740	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	143	PHE	0	-0.047	-0.026	47.003	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	144	ILE	0	0.015	-0.007	45.287	0.001	0.001	0.000	0.000	0.000	0.000
89	A	145	LEU	0	-0.002	0.012	49.418	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	146	HIS	0	-0.015	-0.024	49.649	0.000	0.000	0.000	0.000	0.000	0.000
91	A	147	ASP	-1	-0.841	-0.913	51.800	-0.018	-0.018	0.000	0.000	0.000	0.000
92	A	148	ILE	0	0.051	0.041	54.151	0.000	0.000	0.000	0.000	0.000	0.000
93	A	149	PRO	0	-0.057	-0.009	57.253	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	150	ALA	0	0.031	0.013	60.255	0.001	0.001	0.000	0.000	0.000	0.000
95	A	151	ARG	1	0.777	0.864	62.733	0.006	0.006	0.000	0.000	0.000	0.000
96	A	152	ASP	-1	-0.829	-0.910	66.267	-0.010	-0.010	0.000	0.000	0.000	0.000
97	A	153	HIS	0	-0.032	-0.023	68.663	0.000	0.000	0.000	0.000	0.000	0.000
98	A	154	ARG	1	0.877	0.936	71.937	0.008	0.008	0.000	0.000	0.000	0.000
99	A	155	GLY	0	-0.019	-0.009	70.836	0.000	0.000	0.000	0.000	0.000	0.000
100	A	156	MET	0	-0.049	-0.030	68.970	0.001	0.001	0.000	0.000	0.000	0.000
101	A	157	GLU	-1	-0.800	-0.866	61.708	-0.011	-0.011	0.000	0.000	0.000	0.000
102	A	158	VAL	0	-0.003	-0.006	66.185	0.001	0.001	0.000	0.000	0.000	0.000
103	A	159	ALA	0	0.013	0.006	63.445	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	160	GLU	-1	-0.822	-0.899	63.540	-0.007	-0.007	0.000	0.000	0.000	0.000
105	A	161	PRO	0	-0.011	-0.023	63.950	0.001	0.001	0.000	0.000	0.000	0.000
106	A	162	GLU	-1	-0.868	-0.943	61.236	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	163	VAL	0	-0.029	-0.007	58.288	0.000	0.000	0.000	0.000	0.000	0.000
108	A	164	LEU	0	-0.016	-0.010	60.454	0.001	0.001	0.000	0.000	0.000	0.000
109	A	165	GLY	0	0.053	0.042	61.566	0.000	0.000	0.000	0.000	0.000	0.000
110	A	166	VAL	0	-0.046	-0.047	62.238	0.001	0.001	0.000	0.000	0.000	0.000
111	A	167	GLU	-1	-0.827	-0.904	64.218	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	168	PHE	0	0.025	-0.005	67.200	0.001	0.001	0.000	0.000	0.000	0.000
113	A	169	LYS	1	0.825	0.914	64.876	0.003	0.003	0.000	0.000	0.000	0.000
114	A	170	ASN	0	-0.003	-0.009	69.547	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	171	VAL	0	0.045	0.020	73.080	0.000	0.000	0.000	0.000	0.000	0.000
116	A	172	LEU	0	-0.010	-0.006	73.502	0.000	0.000	0.000	0.000	0.000	0.000
117	A	173	PRO	0	-0.013	-0.002	75.473	0.000	0.000	0.000	0.000	0.000	0.000
118	A	174	VAL	0	0.016	0.018	78.506	0.000	0.000	0.000	0.000	0.000	0.000
119	A	175	LEU	0	-0.030	0.010	77.537	0.000	0.000	0.000	0.000	0.000	0.000
120	A	176	THR	0	-0.030	-0.056	81.442	0.000	0.000	0.000	0.000	0.000	0.000
121	A	177	ALA	0	0.013	0.000	83.154	0.000	0.000	0.000	0.000	0.000	0.000
122	A	178	GLU	-1	-0.778	-0.866	83.471	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	179	HIS	0	0.017	-0.006	80.867	0.000	0.000	0.000	0.000	0.000	0.000
124	A	180	ARG	1	0.892	0.955	78.780	0.003	0.003	0.000	0.000	0.000	0.000
125	A	181	ALA	0	0.027	0.015	78.663	0.000	0.000	0.000	0.000	0.000	0.000
126	A	182	MET	0	-0.035	-0.006	78.985	0.000	0.000	0.000	0.000	0.000	0.000
127	A	183	ILE	0	-0.006	-0.015	74.031	0.000	0.000	0.000	0.000	0.000	0.000
128	A	184	GLN	0	-0.053	-0.023	73.509	0.000	0.000	0.000	0.000	0.000	0.000
129	A	185	ASN	0	0.006	-0.012	74.827	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	186	ALA	0	-0.046	-0.017	74.116	0.000	0.000	0.000	0.000	0.000	0.000
131	A	187	LEU	0	-0.027	-0.016	69.357	0.000	0.000	0.000	0.000	0.000	0.000
132	A	188	ASP	-1	-0.790	-0.882	70.331	-0.006	-0.006	0.000	0.000	0.000	0.000
133	A	189	GLY	0	-0.019	0.003	72.043	0.000	0.000	0.000	0.000	0.000	0.000
134	A	190	SER	0	-0.054	-0.012	66.527	0.000	0.000	0.000	0.000	0.000	0.000
135	A	191	ILE	0	-0.004	-0.013	66.961	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	192	ILE	0	-0.027	-0.012	61.104	0.001	0.001	0.000	0.000	0.000	0.000
137	A	193	GLU	-1	-0.860	-0.920	61.306	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	194	ASN	0	-0.019	-0.036	59.964	-0.001	-0.001	0.000	0.000	0.000	0.000
139	A	195	GLY	0	0.011	0.026	57.483	0.001	0.001	0.000	0.000	0.000	0.000
140	A	196	ASN	0	-0.033	-0.038	56.380	0.001	0.001	0.000	0.000	0.000	0.000
141	A	197	VAL	0	0.047	0.026	51.472	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	198	ALA	0	0.013	0.002	48.204	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	199	THR	0	-0.064	-0.032	49.210	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	200	ARG	1	0.783	0.893	44.650	0.018	0.018	0.000	0.000	0.000	0.000
145	A	201	ASP	-1	-0.901	-0.946	51.634	-0.013	-0.013	0.000	0.000	0.000	0.000
146	A	202	VAL	0	-0.057	-0.030	52.512	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	203	ASP	-1	-0.801	-0.890	55.137	-0.011	-0.011	0.000	0.000	0.000	0.000
148	A	204	VAL	0	-0.076	-0.049	57.265	0.001	0.001	0.000	0.000	0.000	0.000
149	A	205	PHE	0	0.036	0.012	57.888	0.000	0.000	0.000	0.000	0.000	0.000
150	A	206	ILE	0	0.009	0.004	61.765	0.001	0.001	0.000	0.000	0.000	0.000
151	A	207	GLY	0	0.037	0.013	62.310	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	208	ALA	0	-0.030	0.000	62.577	0.001	0.001	0.000	0.000	0.000	0.000
153	A	209	CYS	0	-0.017	-0.025	58.192	0.000	0.000	0.000	0.000	0.000	0.000
154	A	210	SER	0	0.037	0.006	59.184	0.000	0.000	0.000	0.000	0.000	0.000
155	A	211	GLU	-1	-0.797	-0.890	58.781	0.015	0.015	0.000	0.000	0.000	0.000
156	A	212	PRO	0	0.015	0.010	55.370	0.000	0.000	0.000	0.000	0.000	0.000
157	A	213	ILE	0	0.015	0.006	54.087	0.000	0.000	0.000	0.000	0.000	0.000
158	A	214	TYR	0	-0.015	-0.036	53.969	0.000	0.000	0.000	0.000	0.000	0.000
159	A	215	ARG	1	0.856	0.934	54.124	-0.020	-0.020	0.000	0.000	0.000	0.000
160	A	216	ILE	0	-0.008	0.015	48.613	0.000	0.000	0.000	0.000	0.000	0.000
161	A	217	TYR	0	0.012	0.027	50.037	0.000	0.000	0.000	0.000	0.000	0.000
162	A	218	ASN	0	-0.019	-0.010	51.193	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	219	ARG	1	0.790	0.866	47.114	-0.026	-0.026	0.000	0.000	0.000	0.000
164	A	220	LEU	0	-0.015	0.001	44.683	0.000	0.000	0.000	0.000	0.000	0.000
165	A	221	GLN	0	-0.009	-0.006	46.988	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	222	GLY	0	0.044	0.021	48.609	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	223	TYR	0	-0.066	-0.048	39.238	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	224	ILE	0	0.024	0.003	43.751	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	225	GLU	-1	-0.867	-0.923	44.938	0.000	0.000	0.000	0.000	0.000	0.000
170	A	226	ALA	0	0.028	0.008	44.896	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	227	VAL	0	-0.033	-0.020	39.785	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	228	GLN	0	-0.072	-0.049	41.628	-0.005	-0.005	0.000	0.000	0.000	0.000
173	A	229	LEU	0	-0.037	-0.007	43.870	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	230	GLN	0	-0.091	-0.047	41.900	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	231	GLU	-1	-0.790	-0.890	38.784	0.015	0.015	0.000	0.000	0.000	0.000
176	A	232	LEU	0	-0.003	0.028	36.125	0.001	0.001	0.000	0.000	0.000	0.000
177	A	233	ARG	1	0.966	0.978	36.454	0.008	0.008	0.000	0.000	0.000	0.000
178	A	234	ASN	0	-0.044	-0.041	36.543	-0.003	-0.003	0.000	0.000	0.000	0.000
179	A	235	SER	0	-0.026	-0.028	33.310	0.004	0.004	0.000	0.000	0.000	0.000
180	A	236	ILE	0	0.009	0.014	31.865	0.000	0.000	0.000	0.000	0.000	0.000
181	A	237	GLY	0	0.049	0.026	31.510	-0.002	-0.002	0.000	0.000	0.000	0.000
182	A	238	TRP	0	-0.015	-0.006	27.892	0.003	0.003	0.000	0.000	0.000	0.000
183	A	239	LEU	0	0.026	0.014	26.299	0.004	0.004	0.000	0.000	0.000	0.000
184	A	240	GLU	-1	-0.884	-0.933	26.876	-0.039	-0.039	0.000	0.000	0.000	0.000
185	A	241	ARG	1	0.917	0.952	27.855	-0.018	-0.018	0.000	0.000	0.000	0.000
186	A	242	LEU	0	-0.006	0.001	22.572	0.002	0.002	0.000	0.000	0.000	0.000
187	A	243	GLY	0	0.039	0.013	23.031	0.001	0.001	0.000	0.000	0.000	0.000
188	A	244	GLN	0	-0.059	-0.024	23.133	-0.006	-0.006	0.000	0.000	0.000	0.000
189	A	245	ARG	1	0.806	0.900	22.729	-0.085	-0.085	0.000	0.000	0.000	0.000
190	A	246	LYS	1	0.855	0.930	18.914	-0.083	-0.083	0.000	0.000	0.000	0.000
191	A	247	ARG	1	0.775	0.877	17.811	0.039	0.039	0.000	0.000	0.000	0.000
192	A	248	ILE	0	0.002	-0.005	18.888	-0.024	-0.024	0.000	0.000	0.000	0.000
193	A	249	THR	0	0.002	0.006	21.001	0.018	0.018	0.000	0.000	0.000	0.000
194	A	250	TYR	0	-0.002	-0.036	23.076	-0.010	-0.010	0.000	0.000	0.000	0.000
195	A	251	SER	0	-0.075	-0.051	25.701	0.000	0.000	0.000	0.000	0.000	0.000
196	A	252	GLN	0	0.042	0.006	28.126	0.012	0.012	0.000	0.000	0.000	0.000
197	A	253	GLU	-1	-0.849	-0.904	29.026	-0.092	-0.092	0.000	0.000	0.000	0.000
198	A	254	VAL	0	-0.015	-0.009	31.771	0.003	0.003	0.000	0.000	0.000	0.000
199	A	255	LEU	0	0.017	0.016	34.501	0.005	0.005	0.000	0.000	0.000	0.000
200	A	256	THR	0	-0.073	-0.031	35.142	0.001	0.001	0.000	0.000	0.000	0.000
201	A	257	ASP	-1	-0.759	-0.901	37.288	-0.046	-0.046	0.000	0.000	0.000	0.000
202	A	258	PHE	0	-0.087	-0.057	39.186	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	259	ARG	1	0.827	0.901	42.918	0.035	0.035	0.000	0.000	0.000	0.000
204	A	260	ARG	1	0.872	0.926	40.544	0.046	0.046	0.000	0.000	0.000	0.000
205	A	261	GLN	0	-0.015	-0.001	42.846	0.001	0.001	0.000	0.000	0.000	0.000
206	A	262	ASP	-1	-0.851	-0.932	46.200	-0.027	-0.027	0.000	0.000	0.000	0.000
207	A	263	MET	0	-0.065	0.007	40.643	0.001	0.001	0.000	0.000	0.000	0.000
208	A	264	ILE	0	0.002	0.017	44.192	0.001	0.001	0.000	0.000	0.000	0.000
209	A	265	TRP	0	0.041	-0.008	38.365	-0.003	-0.003	0.000	0.000	0.000	0.000
210	A	266	VAL	0	0.025	0.004	39.848	0.004	0.004	0.000	0.000	0.000	0.000
211	A	267	LEU	0	-0.001	0.010	34.257	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	268	ALA	0	0.032	0.003	36.594	0.004	0.004	0.000	0.000	0.000	0.000
213	A	269	LEU	0	0.007	-0.008	32.177	0.004	0.004	0.000	0.000	0.000	0.000
214	A	270	GLN	0	0.078	0.051	34.717	0.005	0.005	0.000	0.000	0.000	0.000
215	A	271	LEU	0	0.055	0.018	28.439	0.001	0.001	0.000	0.000	0.000	0.000
216	A	272	PRO	0	-0.022	-0.003	30.796	0.003	0.003	0.000	0.000	0.000	0.000
217	A	273	VAL	0	0.016	0.019	28.481	0.008	0.008	0.000	0.000	0.000	0.000
218	A	274	ASN	0	0.040	0.005	31.771	0.001	0.001	0.000	0.000	0.000	0.000
219	A	275	PRO	0	0.033	0.030	30.076	0.004	0.004	0.000	0.000	0.000	0.000
220	A	276	GLN	0	0.019	0.021	30.839	0.015	0.015	0.000	0.000	0.000	0.000
221	A	277	VAL	0	-0.014	0.007	32.153	0.008	0.008	0.000	0.000	0.000	0.000
222	A	278	VAL	0	0.010	0.000	26.734	0.003	0.003	0.000	0.000	0.000	0.000
223	A	279	TRP	0	0.033	0.014	24.311	0.015	0.015	0.000	0.000	0.000	0.000
224	A	280	ASP	-1	-0.804	-0.894	30.670	0.101	0.101	0.000	0.000	0.000	0.000
225	A	281	VAL	0	-0.052	-0.016	30.470	-0.002	-0.002	0.000	0.000	0.000	0.000
226	A	282	PRO	0	-0.002	-0.015	32.022	0.010	0.010	0.000	0.000	0.000	0.000
227	A	283	ARG	1	0.921	0.941	30.446	-0.169	-0.169	0.000	0.000	0.000	0.000
228	A	284	SER	0	0.009	0.018	28.330	0.021	0.021	0.000	0.000	0.000	0.000
229	A	285	SER	0	-0.001	-0.003	26.281	0.011	0.011	0.000	0.000	0.000	0.000
230	A	286	ILE	0	0.059	0.027	22.462	0.015	0.015	0.000	0.000	0.000	0.000
231	A	287	ALA	0	-0.001	0.003	22.259	0.030	0.030	0.000	0.000	0.000	0.000
232	A	288	ASN	0	-0.025	-0.033	22.383	0.010	0.010	0.000	0.000	0.000	0.000
233	A	289	LEU	0	0.016	0.020	18.036	0.006	0.006	0.000	0.000	0.000	0.000
234	A	290	ILE	0	-0.004	-0.012	17.906	0.040	0.040	0.000	0.000	0.000	0.000
235	A	291	MET	0	0.023	0.016	17.502	0.017	0.017	0.000	0.000	0.000	0.000
236	A	292	ASN	0	0.001	0.023	18.316	-0.047	-0.047	0.000	0.000	0.000	0.000
237	A	293	ILE	0	-0.029	-0.010	12.587	-0.006	-0.006	0.000	0.000	0.000	0.000
238	A	294	ALA	0	-0.009	-0.009	13.490	0.011	0.011	0.000	0.000	0.000	0.000
239	A	295	THR	0	-0.062	-0.033	15.151	-0.069	-0.069	0.000	0.000	0.000	0.000
240	A	296	CYS	0	-0.057	-0.054	15.353	-0.084	-0.084	0.000	0.000	0.000	0.000
241	A	297	LEU	0	0.018	0.033	8.752	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	298	PRO	0	-0.025	-0.005	9.018	-0.026	-0.026	0.000	0.000	0.000	0.000
243	A	299	THR	0	-0.017	-0.007	3.433	0.030	0.307	0.016	-0.066	-0.226	0.000
244	A	300	GLY	0	-0.045	-0.031	3.848	-0.484	-0.193	0.002	-0.091	-0.202	0.000
245	A	301	GLU	-1	-0.865	-0.931	2.279	-11.831	-6.528	3.923	-3.858	-5.368	-0.043
246	A	302	TYR	0	-0.038	-0.021	3.556	0.686	1.071	0.007	-0.062	-0.329	0.000
247	A	303	ILE	0	0.022	0.022	6.203	-0.105	-0.105	0.000	0.000	0.000	0.000
248	A	304	ALA	0	0.027	0.009	8.868	0.241	0.241	0.000	0.000	0.000	0.000
249	A	305	PRO	0	0.016	0.017	11.627	-0.050	-0.050	0.000	0.000	0.000	0.000
250	A	306	ASN	0	0.036	0.007	15.343	-0.024	-0.024	0.000	0.000	0.000	0.000
251	A	307	PRO	0	0.070	0.033	17.092	0.037	0.037	0.000	0.000	0.000	0.000
252	A	308	ARG	1	0.956	0.973	19.515	0.154	0.154	0.000	0.000	0.000	0.000
253	A	309	ILE	0	0.017	0.017	19.314	0.010	0.010	0.000	0.000	0.000	0.000
254	A	310	SER	0	0.076	0.045	21.014	0.007	0.007	0.000	0.000	0.000	0.000
255	A	311	SER	0	-0.035	-0.026	23.219	0.008	0.008	0.000	0.000	0.000	0.000
256	A	312	ILE	0	-0.024	-0.006	25.473	0.004	0.004	0.000	0.000	0.000	0.000
257	A	313	THR	0	-0.075	-0.043	25.707	0.008	0.008	0.000	0.000	0.000	0.000
258	A	314	LEU	0	-0.008	0.004	23.808	0.004	0.004	0.000	0.000	0.000	0.000
259	A	315	THR	0	0.004	-0.016	24.744	0.008	0.008	0.000	0.000	0.000	0.000
260	A	316	GLN	0	-0.031	0.006	27.614	-0.003	-0.003	0.000	0.000	0.000	0.000
261	A	317	ARG	1	0.926	0.949	30.612	-0.010	-0.010	0.000	0.000	0.000	0.000
262	A	318	ILE	0	0.029	0.025	29.912	0.007	0.007	0.000	0.000	0.000	0.000
263	A	319	THR	0	-0.017	-0.018	33.230	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	320	THR	0	-0.003	-0.014	32.443	-0.001	-0.001	0.000	0.000	0.000	0.000
265	A	321	THR	0	-0.008	0.010	30.269	0.003	0.003	0.000	0.000	0.000	0.000
266	A	322	GLY	0	0.044	0.019	29.251	0.005	0.005	0.000	0.000	0.000	0.000
267	A	323	PRO	0	-0.014	-0.005	27.385	0.003	0.003	0.000	0.000	0.000	0.000
268	A	324	PHE	0	0.032	0.000	22.895	0.014	0.014	0.000	0.000	0.000	0.000
269	A	325	ALA	0	0.044	0.033	24.483	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	326	ILE	0	0.001	0.014	20.277	-0.007	-0.007	0.000	0.000	0.000	0.000
271	A	327	LEU	0	-0.025	-0.023	20.103	0.015	0.015	0.000	0.000	0.000	0.000
272	A	328	THR	0	-0.062	-0.021	19.569	-0.018	-0.018	0.000	0.000	0.000	0.000
273	A	329	GLY	0	-0.025	-0.001	18.289	-0.010	-0.010	0.000	0.000	0.000	0.000
274	A	330	SER	0	0.011	0.009	14.418	0.021	0.021	0.000	0.000	0.000	0.000
275	A	331	THR	0	0.014	-0.004	9.976	0.018	0.018	0.000	0.000	0.000	0.000
276	A	332	PRO	0	0.025	0.017	11.696	0.013	0.013	0.000	0.000	0.000	0.000
277	A	333	THR	0	0.028	-0.004	7.030	0.089	0.089	0.000	0.000	0.000	0.000
278	A	334	ALA	0	0.035	0.023	9.481	0.295	0.295	0.000	0.000	0.000	0.000
279	A	335	GLN	0	0.041	0.040	10.887	0.138	0.138	0.000	0.000	0.000	0.000
280	A	336	GLN	0	0.027	-0.014	11.863	0.197	0.197	0.000	0.000	0.000	0.000
281	A	337	LEU	0	0.003	-0.006	5.111	-0.155	-0.155	0.000	0.000	0.000	0.000
282	A	338	ASN	0	0.008	0.002	7.528	1.429	1.429	0.000	0.000	0.000	0.000
283	A	339	ASP	-1	-0.733	-0.832	9.093	0.917	0.917	0.000	0.000	0.000	0.000
284	A	340	VAL	0	-0.035	-0.035	7.928	-0.144	-0.144	0.000	0.000	0.000	0.000
285	A	341	ARG	1	0.786	0.871	1.966	-18.599	-24.349	12.761	-3.923	-3.088	0.041
286	A	342	LYS	1	0.812	0.901	8.667	-1.310	-1.310	0.000	0.000	0.000	0.000
287	A	343	ILE	0	-0.015	0.004	11.881	-0.160	-0.160	0.000	0.000	0.000	0.000
288	A	344	TYR	0	-0.028	-0.035	9.949	-0.190	-0.190	0.000	0.000	0.000	0.000
289	A	345	LEU	0	0.027	0.009	11.003	-0.176	-0.176	0.000	0.000	0.000	0.000
290	A	346	ALA	0	0.019	0.001	12.468	-0.145	-0.145	0.000	0.000	0.000	0.000
291	A	347	LEU	0	-0.015	0.004	15.021	-0.106	-0.106	0.000	0.000	0.000	0.000
292	A	348	MET	0	-0.027	-0.003	11.122	-0.028	-0.028	0.000	0.000	0.000	0.000
293	A	349	PHE	0	0.039	0.023	14.067	-0.038	-0.038	0.000	0.000	0.000	0.000
294	A	350	PRO	0	-0.066	-0.010	17.991	-0.047	-0.047	0.000	0.000	0.000	0.000
295	A	351	GLY	0	0.084	0.013	19.971	0.032	0.032	0.000	0.000	0.000	0.000
296	A	352	GLN	0	0.013	0.008	20.480	-0.020	-0.020	0.000	0.000	0.000	0.000
297	A	353	ILE	0	-0.036	-0.009	16.156	0.015	0.015	0.000	0.000	0.000	0.000
298	A	354	ILE	0	-0.017	0.008	19.811	-0.011	-0.011	0.000	0.000	0.000	0.000
299	A	355	LEU	0	-0.021	-0.004	16.302	0.062	0.062	0.000	0.000	0.000	0.000
300	A	356	ASP	-1	-0.805	-0.945	20.172	0.355	0.355	0.000	0.000	0.000	0.000
301	A	357	LEU	0	-0.009	0.004	22.421	-0.004	-0.004	0.000	0.000	0.000	0.000
302	A	358	LYS	1	0.857	0.937	20.604	-0.347	-0.347	0.000	0.000	0.000	0.000
303	A	359	ILE	0	-0.006	0.012	18.181	-0.002	-0.002	0.000	0.000	0.000	0.000
304	A	360	ASP	-1	-0.838	-0.926	22.840	0.262	0.262	0.000	0.000	0.000	0.000
305	A	361	PRO	0	-0.050	-0.007	22.461	-0.024	-0.024	0.000	0.000	0.000	0.000
306	A	362	GLY	0	0.070	0.043	25.528	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	363	GLU	-1	-0.872	-0.954	22.476	0.257	0.257	0.000	0.000	0.000	0.000
308	A	364	ARG	1	0.767	0.871	25.189	-0.280	-0.280	0.000	0.000	0.000	0.000
309	A	365	MET	0	-0.038	-0.031	26.039	-0.005	-0.005	0.000	0.000	0.000	0.000
310	A	366	ASP	-1	-0.860	-0.912	25.340	0.174	0.174	0.000	0.000	0.000	0.000
311	A	367	PRO	0	0.016	-0.001	26.716	0.012	0.012	0.000	0.000	0.000	0.000
312	A	368	ALA	0	0.019	0.014	25.483	0.000	0.000	0.000	0.000	0.000	0.000
313	A	369	VAL	0	-0.010	-0.025	21.052	0.013	0.013	0.000	0.000	0.000	0.000
314	A	370	ARG	1	0.801	0.885	23.012	-0.157	-0.157	0.000	0.000	0.000	0.000
315	A	371	MET	0	-0.013	0.002	25.375	0.006	0.006	0.000	0.000	0.000	0.000
316	A	372	VAL	0	-0.009	0.006	21.404	0.003	0.003	0.000	0.000	0.000	0.000
317	A	373	ALA	0	-0.016	-0.007	21.178	0.009	0.009	0.000	0.000	0.000	0.000
318	A	374	GLY	0	0.053	0.023	22.110	0.017	0.017	0.000	0.000	0.000	0.000
319	A	375	VAL	0	-0.032	-0.007	24.803	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	376	VAL	0	-0.024	-0.011	18.585	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	377	GLY	0	0.027	0.005	21.522	0.010	0.010	0.000	0.000	0.000	0.000
322	A	378	HIS	1	0.781	0.885	22.498	-0.192	-0.192	0.000	0.000	0.000	0.000
323	A	379	LEU	0	-0.003	0.006	22.667	-0.018	-0.018	0.000	0.000	0.000	0.000
324	A	380	LEU	0	-0.030	-0.005	15.915	-0.011	-0.011	0.000	0.000	0.000	0.000
325	A	381	PHE	0	0.056	0.033	17.297	0.026	0.026	0.000	0.000	0.000	0.000
326	A	382	THR	0	0.034	0.002	21.812	-0.021	-0.021	0.000	0.000	0.000	0.000
327	A	383	ALA	0	0.013	0.009	24.697	0.013	0.013	0.000	0.000	0.000	0.000
328	A	384	GLY	0	0.001	-0.011	27.704	-0.011	-0.011	0.000	0.000	0.000	0.000
329	A	385	GLY	0	0.103	0.073	29.062	0.009	0.009	0.000	0.000	0.000	0.000
330	A	386	ARG	1	0.674	0.805	26.003	-0.178	-0.178	0.000	0.000	0.000	0.000
331	A	387	PHE	0	0.023	0.002	22.569	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	388	THR	0	0.030	0.029	25.832	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	389	ASN	0	-0.018	-0.018	19.431	0.043	0.043	0.000	0.000	0.000	0.000
334	A	390	LEU	0	0.015	0.015	21.578	0.040	0.040	0.000	0.000	0.000	0.000
335	A	391	THR	0	0.087	0.048	23.984	-0.034	-0.034	0.000	0.000	0.000	0.000
336	A	392	GLN	0	0.042	0.003	26.568	0.013	0.013	0.000	0.000	0.000	0.000
337	A	393	ASN	0	-0.041	-0.014	27.538	0.004	0.004	0.000	0.000	0.000	0.000
338	A	394	MET	0	0.049	0.041	19.768	-0.005	-0.005	0.000	0.000	0.000	0.000
339	A	395	ALA	0	0.041	0.021	25.654	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	396	ARG	1	0.820	0.877	27.450	-0.171	-0.171	0.000	0.000	0.000	0.000
341	A	397	GLN	0	0.000	-0.013	25.877	0.005	0.005	0.000	0.000	0.000	0.000
342	A	398	LEU	0	0.001	0.002	22.540	-0.007	-0.007	0.000	0.000	0.000	0.000
343	A	399	ASP	-1	-0.763	-0.866	26.780	0.166	0.166	0.000	0.000	0.000	0.000
344	A	400	ILE	0	-0.016	-0.012	30.396	-0.013	-0.013	0.000	0.000	0.000	0.000
345	A	401	ALA	0	-0.021	-0.001	27.038	-0.010	-0.010	0.000	0.000	0.000	0.000
346	A	402	LEU	0	-0.019	-0.009	28.450	-0.011	-0.011	0.000	0.000	0.000	0.000
347	A	403	ASN	0	0.021	-0.024	29.936	-0.018	-0.018	0.000	0.000	0.000	0.000
348	A	404	ASP	-1	-0.774	-0.865	31.897	0.135	0.135	0.000	0.000	0.000	0.000
349	A	405	TYR	0	-0.057	-0.069	28.493	-0.009	-0.009	0.000	0.000	0.000	0.000
350	A	406	LEU	0	-0.019	-0.008	31.419	-0.011	-0.011	0.000	0.000	0.000	0.000
351	A	407	LEU	0	-0.033	-0.016	34.327	-0.008	-0.008	0.000	0.000	0.000	0.000
352	A	408	TYR	0	-0.012	-0.006	32.542	-0.005	-0.005	0.000	0.000	0.000	0.000
353	A	409	MET	0	-0.047	-0.017	36.041	-0.007	-0.007	0.000	0.000	0.000	0.000
354	A	410	TYR	0	-0.035	-0.019	32.053	-0.006	-0.006	0.000	0.000	0.000	0.000
355	A	411	ASN	0	-0.003	0.001	37.564	-0.006	-0.006	0.000	0.000	0.000	0.000
356	A	412	THR	0	-0.033	-0.026	39.717	0.002	0.002	0.000	0.000	0.000	0.000
357	A	413	ARG	1	0.980	1.006	41.674	-0.041	-0.041	0.000	0.000	0.000	0.000
358	A	414	VAL	0	0.026	0.010	40.659	-0.004	-0.004	0.000	0.000	0.000	0.000
359	A	415	GLN	0	-0.038	-0.033	43.666	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	416	VAL	0	0.043	0.018	41.614	0.002	0.002	0.000	0.000	0.000	0.000
361	A	417	ASN	0	-0.028	-0.002	44.023	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	418	TYR	0	0.026	-0.009	41.319	0.005	0.005	0.000	0.000	0.000	0.000
363	A	419	GLY	0	0.037	0.036	44.225	-0.004	-0.004	0.000	0.000	0.000	0.000
364	A	420	PRO	0	-0.052	-0.027	45.861	0.000	0.000	0.000	0.000	0.000	0.000
365	A	421	THR	0	-0.029	-0.023	43.130	0.000	0.000	0.000	0.000	0.000	0.000
366	A	422	GLY	0	-0.023	-0.015	43.549	0.001	0.001	0.000	0.000	0.000	0.000
367	A	423	GLU	-1	-0.778	-0.852	38.378	0.136	0.136	0.000	0.000	0.000	0.000
368	A	424	PRO	0	-0.014	-0.004	35.041	-0.003	-0.003	0.000	0.000	0.000	0.000
369	A	425	LEU	0	0.011	-0.007	32.692	0.002	0.002	0.000	0.000	0.000	0.000
370	A	426	ASP	-1	-0.808	-0.864	37.033	0.091	0.091	0.000	0.000	0.000	0.000
371	A	427	PHE	0	-0.012	-0.005	36.426	-0.006	-0.006	0.000	0.000	0.000	0.000
372	A	428	GLN	0	0.045	0.026	40.012	0.000	0.000	0.000	0.000	0.000	0.000
373	A	429	ILE	0	-0.063	-0.021	37.266	-0.002	-0.002	0.000	0.000	0.000	0.000
374	A	430	GLY	0	0.020	0.007	41.224	-0.002	-0.002	0.000	0.000	0.000	0.000
375	A	431	ARG	1	0.915	0.976	42.771	-0.036	-0.036	0.000	0.000	0.000	0.000
376	A	432	ASN	0	-0.005	-0.027	42.260	-0.004	-0.004	0.000	0.000	0.000	0.000
377	A	433	GLN	0	-0.059	-0.021	43.512	0.000	0.000	0.000	0.000	0.000	0.000
378	A	434	TYR	0	0.018	-0.019	36.414	0.002	0.002	0.000	0.000	0.000	0.000
379	A	435	ASP	-1	-0.897	-0.966	39.576	0.086	0.086	0.000	0.000	0.000	0.000
380	A	436	CYS	0	-0.016	-0.012	35.659	0.004	0.004	0.000	0.000	0.000	0.000
381	A	437	ASN	0	0.023	0.030	36.135	0.008	0.008	0.000	0.000	0.000	0.000
382	A	438	VAL	0	-0.005	0.004	35.416	0.006	0.006	0.000	0.000	0.000	0.000
383	A	439	PHE	0	-0.031	-0.038	30.624	0.005	0.005	0.000	0.000	0.000	0.000
384	A	440	ARG	1	0.825	0.899	32.045	-0.105	-0.105	0.000	0.000	0.000	0.000
385	A	441	ALA	0	-0.010	-0.023	30.507	0.000	0.000	0.000	0.000	0.000	0.000
386	A	442	ASP	-1	-0.857	-0.916	31.930	0.140	0.140	0.000	0.000	0.000	0.000
387	A	443	PHE	0	-0.017	-0.018	27.479	0.004	0.004	0.000	0.000	0.000	0.000
388	A	444	ALA	0	-0.002	0.011	32.359	0.002	0.002	0.000	0.000	0.000	0.000
389	A	445	THR	0	-0.033	-0.027	34.902	-0.007	-0.007	0.000	0.000	0.000	0.000
390	A	446	GLY	0	-0.017	-0.015	30.913	0.001	0.001	0.000	0.000	0.000	0.000
391	A	447	THR	0	-0.051	-0.035	30.678	0.006	0.006	0.000	0.000	0.000	0.000
392	A	448	GLY	0	0.043	0.049	31.229	-0.004	-0.004	0.000	0.000	0.000	0.000
393	A	449	TYR	0	-0.083	-0.072	25.316	0.013	0.013	0.000	0.000	0.000	0.000
394	A	450	ASN	0	-0.013	-0.010	21.390	-0.042	-0.042	0.000	0.000	0.000	0.000
395	A	451	GLY	0	0.050	0.025	25.418	0.002	0.002	0.000	0.000	0.000	0.000
396	A	452	TRP	0	0.039	0.008	27.441	-0.021	-0.021	0.000	0.000	0.000	0.000
397	A	453	ALA	0	-0.022	0.015	30.824	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	454	THR	0	-0.038	-0.028	28.531	-0.014	-0.014	0.000	0.000	0.000	0.000
399	A	455	ILE	0	0.008	0.017	30.670	0.010	0.010	0.000	0.000	0.000	0.000
400	A	456	ASP	-1	-0.750	-0.872	25.074	0.157	0.157	0.000	0.000	0.000	0.000
401	A	457	VAL	0	0.024	0.016	25.952	0.012	0.012	0.000	0.000	0.000	0.000
402	A	458	GLU	-1	-0.809	-0.845	28.403	0.056	0.056	0.000	0.000	0.000	0.000
403	A	459	TYR	0	0.009	-0.027	29.216	0.005	0.005	0.000	0.000	0.000	0.000
404	A	460	ARG	1	0.828	0.925	24.427	-0.060	-0.060	0.000	0.000	0.000	0.000
405	A	461	ASP	-1	-0.906	-0.945	30.363	0.057	0.057	0.000	0.000	0.000	0.000
406	A	462	PRO	0	-0.004	-0.010	32.500	0.002	0.002	0.000	0.000	0.000	0.000
407	A	463	ALA	0	0.003	0.004	27.455	-0.003	-0.003	0.000	0.000	0.000	0.000
408	A	464	PRO	0	-0.005	-0.006	25.927	0.001	0.001	0.000	0.000	0.000	0.000
409	A	465	TYR	0	-0.049	-0.053	23.942	0.009	0.009	0.000	0.000	0.000	0.000
410	A	466	VAL	0	-0.028	-0.005	29.214	0.001	0.001	0.000	0.000	0.000	0.000
411	A	467	HIS	0	-0.011	0.005	26.653	-0.015	-0.015	0.000	0.000	0.000	0.000
412	A	468	ALA	0	0.002	-0.007	28.357	0.013	0.013	0.000	0.000	0.000	0.000
413	A	469	GLN	0	-0.039	-0.007	28.389	0.018	0.018	0.000	0.000	0.000	0.000
414	A	470	ARG	1	0.818	0.879	23.875	-0.181	-0.181	0.000	0.000	0.000	0.000
415	A	471	TYR	0	-0.098	-0.095	24.580	-0.005	-0.005	0.000	0.000	0.000	0.000
416	A	472	ILE	0	0.018	0.016	21.245	-0.004	-0.004	0.000	0.000	0.000	0.000
417	A	473	ARG	1	0.687	0.810	22.329	-0.088	-0.088	0.000	0.000	0.000	0.000
418	A	474	TYR	0	-0.021	-0.042	18.577	-0.019	-0.019	0.000	0.000	0.000	0.000
419	A	475	CYS	0	-0.052	-0.033	22.672	-0.018	-0.018	0.000	0.000	0.000	0.000
420	A	476	GLY	0	0.033	0.028	25.332	-0.016	-0.016	0.000	0.000	0.000	0.000
421	A	477	ILE	0	-0.040	-0.017	21.319	-0.019	-0.019	0.000	0.000	0.000	0.000
422	A	478	ASP	-1	-0.747	-0.867	22.818	0.065	0.065	0.000	0.000	0.000	0.000
423	A	479	SER	0	-0.064	-0.037	20.265	-0.016	-0.016	0.000	0.000	0.000	0.000
424	A	480	ARG	1	0.860	0.905	22.246	-0.011	-0.011	0.000	0.000	0.000	0.000
425	A	481	GLU	-1	-0.821	-0.875	21.609	-0.027	-0.027	0.000	0.000	0.000	0.000
426	A	482	LEU	0	0.035	0.014	17.542	0.004	0.004	0.000	0.000	0.000	0.000
427	A	483	ILE	0	-0.034	-0.006	16.265	-0.015	-0.015	0.000	0.000	0.000	0.000
428	A	484	ASN	0	0.005	0.024	16.269	-0.013	-0.013	0.000	0.000	0.000	0.000
429	A	485	PRO	0	0.055	0.031	14.284	-0.032	-0.032	0.000	0.000	0.000	0.000
430	A	486	THR	0	-0.048	-0.045	17.254	0.019	0.019	0.000	0.000	0.000	0.000
431	A	487	THR	0	-0.010	-0.004	19.727	0.022	0.022	0.000	0.000	0.000	0.000
432	A	488	TYR	0	0.009	-0.022	20.725	-0.005	-0.005	0.000	0.000	0.000	0.000
433	A	489	GLY	0	0.020	0.015	21.447	0.018	0.018	0.000	0.000	0.000	0.000
434	A	490	ILE	0	-0.011	-0.019	22.347	0.004	0.004	0.000	0.000	0.000	0.000
435	A	491	GLY	0	-0.003	0.005	25.889	0.009	0.009	0.000	0.000	0.000	0.000
436	A	492	MET	0	-0.036	-0.011	24.252	0.005	0.005	0.000	0.000	0.000	0.000
437	A	493	THR	0	0.032	0.004	26.809	0.011	0.011	0.000	0.000	0.000	0.000
438	A	494	TYR	0	0.032	-0.004	22.570	-0.002	-0.002	0.000	0.000	0.000	0.000
439	A	495	HIS	0	0.024	0.032	27.884	0.005	0.005	0.000	0.000	0.000	0.000
440	A	496	CYS	0	0.027	0.015	28.190	-0.007	-0.007	0.000	0.000	0.000	0.000
441	A	497	TYR	0	0.014	-0.025	22.672	0.002	0.002	0.000	0.000	0.000	0.000
442	A	498	ASN	0	-0.061	-0.042	27.889	-0.014	-0.014	0.000	0.000	0.000	0.000
443	A	499	GLU	-1	-0.808	-0.875	31.198	0.067	0.067	0.000	0.000	0.000	0.000
444	A	500	MET	0	0.019	0.016	28.104	-0.004	-0.004	0.000	0.000	0.000	0.000
445	A	501	LEU	0	-0.055	-0.024	27.448	-0.006	-0.006	0.000	0.000	0.000	0.000
446	A	502	ARG	1	0.800	0.920	31.394	-0.068	-0.068	0.000	0.000	0.000	0.000
447	A	503	MET	0	0.024	0.021	31.839	-0.005	-0.005	0.000	0.000	0.000	0.000
448	A	504	LEU	0	0.016	-0.009	29.287	-0.002	-0.002	0.000	0.000	0.000	0.000
449	A	505	VAL	0	-0.067	-0.033	33.135	-0.004	-0.004	0.000	0.000	0.000	0.000
450	A	506	ALA	0	-0.026	-0.005	36.001	-0.004	-0.004	0.000	0.000	0.000	0.000
451	A	507	ALA	0	-0.046	-0.023	35.257	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	508	GLY	0	0.018	0.002	36.214	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	509	LYS	1	0.785	0.904	30.787	-0.102	-0.102	0.000	0.000	0.000	0.000
454	A	510	ASP	-1	-0.851	-0.924	32.353	0.039	0.039	0.000	0.000	0.000	0.000
455	A	511	SER	0	-0.003	-0.007	30.904	0.002	0.002	0.000	0.000	0.000	0.000
456	A	512	GLU	-1	-0.709	-0.838	28.075	0.092	0.092	0.000	0.000	0.000	0.000
457	A	513	ALA	0	0.026	0.015	27.600	0.007	0.007	0.000	0.000	0.000	0.000
458	A	514	ALA	0	-0.046	-0.031	28.737	-0.002	-0.002	0.000	0.000	0.000	0.000
459	A	515	TYR	0	-0.021	-0.008	19.238	-0.019	-0.019	0.000	0.000	0.000	0.000
460	A	516	PHE	0	0.038	0.022	22.415	-0.003	-0.003	0.000	0.000	0.000	0.000
461	A	517	ARG	1	0.943	0.985	24.951	-0.034	-0.034	0.000	0.000	0.000	0.000
462	A	518	SER	0	-0.012	-0.005	24.452	-0.003	-0.003	0.000	0.000	0.000	0.000
463	A	519	MET	0	-0.022	0.006	18.696	-0.027	-0.027	0.000	0.000	0.000	0.000
464	A	520	LEU	0	-0.007	0.020	20.527	0.007	0.007	0.000	0.000	0.000	0.000
465	A	521	PRO	0	0.031	0.012	20.909	0.010	0.010	0.000	0.000	0.000	0.000
466	A	522	PHE	0	-0.031	-0.022	12.773	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	523	HIS	0	0.025	0.029	16.481	0.030	0.030	0.000	0.000	0.000	0.000
468	A	524	MET	0	-0.007	-0.007	18.344	0.033	0.033	0.000	0.000	0.000	0.000
469	A	525	VAL	0	-0.039	-0.021	15.411	0.010	0.010	0.000	0.000	0.000	0.000
470	A	526	ARG	1	0.830	0.913	14.029	-0.290	-0.290	0.000	0.000	0.000	0.000
471	A	527	PHE	0	0.009	0.001	15.095	0.040	0.040	0.000	0.000	0.000	0.000
472	A	528	ALA	0	-0.014	0.005	17.730	0.005	0.005	0.000	0.000	0.000	0.000
473	A	529	ARG	1	0.784	0.867	11.515	0.228	0.228	0.000	0.000	0.000	0.000
474	A	530	ILE	0	0.026	0.015	13.181	0.013	0.013	0.000	0.000	0.000	0.000
475	A	531	ASN	0	0.012	0.009	14.993	0.035	0.035	0.000	0.000	0.000	0.000
476	A	532	GLN	0	-0.033	-0.012	15.801	-0.031	-0.031	0.000	0.000	0.000	0.000
477	A	533	ILE	0	0.041	0.020	10.753	-0.007	-0.007	0.000	0.000	0.000	0.000
478	A	534	ILE	0	-0.013	-0.005	14.847	0.000	0.000	0.000	0.000	0.000	0.000
479	A	535	ASN	0	-0.001	0.000	17.495	-0.017	-0.017	0.000	0.000	0.000	0.000
480	A	536	GLU	-1	-0.822	-0.885	17.624	-0.049	-0.049	0.000	0.000	0.000	0.000
481	A	537	ASP	-1	-0.797	-0.879	13.637	-0.003	-0.003	0.000	0.000	0.000	0.000
482	A	538	LEU	0	-0.031	-0.009	13.564	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	539	HIS	0	-0.004	0.002	17.471	0.018	0.018	0.000	0.000	0.000	0.000
484	A	540	SER	0	0.036	-0.007	20.118	-0.027	-0.027	0.000	0.000	0.000	0.000
485	A	541	VAL	0	-0.004	0.004	22.581	0.010	0.010	0.000	0.000	0.000	0.000
486	A	542	PHE	0	-0.004	-0.012	21.133	0.002	0.002	0.000	0.000	0.000	0.000
487	A	543	SER	0	-0.062	-0.017	21.073	0.029	0.029	0.000	0.000	0.000	0.000
488	A	544	LEU	0	0.013	0.000	22.300	-0.018	-0.018	0.000	0.000	0.000	0.000
489	A	545	PRO	0	0.062	0.035	25.393	-0.005	-0.005	0.000	0.000	0.000	0.000
490	A	546	ASP	-1	-0.731	-0.843	28.729	0.152	0.152	0.000	0.000	0.000	0.000
491	A	547	ASP	-1	-0.926	-0.956	30.078	0.139	0.139	0.000	0.000	0.000	0.000
492	A	548	MET	0	0.009	0.008	29.070	0.008	0.008	0.000	0.000	0.000	0.000
493	A	549	PHE	0	-0.023	-0.013	23.361	0.012	0.012	0.000	0.000	0.000	0.000
494	A	550	ASN	0	-0.052	-0.048	28.018	0.011	0.011	0.000	0.000	0.000	0.000
495	A	551	ALA	0	0.017	0.021	30.986	-0.005	-0.005	0.000	0.000	0.000	0.000
496	A	552	LEU	0	-0.021	-0.006	25.476	0.003	0.003	0.000	0.000	0.000	0.000
497	A	553	LEU	0	-0.013	0.007	29.429	0.006	0.006	0.000	0.000	0.000	0.000
498	A	554	PRO	0	-0.026	-0.015	30.552	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	555	ASP	-1	-0.887	-0.937	32.400	0.159	0.159	0.000	0.000	0.000	0.000
500	A	556	LEU	0	-0.026	-0.005	28.309	0.001	0.001	0.000	0.000	0.000	0.000
501	A	557	ILE	0	-0.074	-0.047	31.625	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	558	ALA	0	-0.031	-0.009	34.300	-0.006	-0.006	0.000	0.000	0.000	0.000
503	A	559	GLY	0	-0.044	-0.008	34.818	-0.007	-0.007	0.000	0.000	0.000	0.000
504	A	560	ALA	0	-0.056	-0.032	35.847	0.001	0.001	0.000	0.000	0.000	0.000
505	A	561	HIS	0	0.006	-0.008	29.859	0.001	0.001	0.000	0.000	0.000	0.000
506	A	562	GLN	0	-0.049	-0.040	33.317	-0.017	-0.017	0.000	0.000	0.000	0.000
507	A	563	ASN	0	-0.013	-0.004	30.658	0.022	0.022	0.000	0.000	0.000	0.000
508	A	564	ALA	0	0.011	0.002	28.826	-0.009	-0.009	0.000	0.000	0.000	0.000
509	A	565	ASP	-1	-0.887	-0.928	26.886	0.250	0.250	0.000	0.000	0.000	0.000
510	A	566	PRO	0	0.019	0.031	23.972	0.019	0.019	0.000	0.000	0.000	0.000
511	A	567	VAL	0	-0.042	-0.037	18.685	0.003	0.003	0.000	0.000	0.000	0.000
512	A	568	VAL	0	0.018	0.013	20.764	0.033	0.033	0.000	0.000	0.000	0.000
513	A	569	LEU	0	-0.060	-0.024	14.855	0.076	0.076	0.000	0.000	0.000	0.000
514	A	570	ASP	-1	-0.817	-0.914	18.575	0.460	0.460	0.000	0.000	0.000	0.000
515	A	571	VAL	0	-0.046	-0.020	15.224	0.119	0.119	0.000	0.000	0.000	0.000
516	A	572	SER	0	0.003	-0.016	16.126	-0.116	-0.116	0.000	0.000	0.000	0.000
517	A	573	TRP	0	-0.031	0.003	17.809	0.022	0.022	0.000	0.000	0.000	0.000
518	A	574	ILE	0	0.065	0.021	16.383	-0.016	-0.016	0.000	0.000	0.000	0.000
519	A	575	SER	0	-0.015	-0.018	13.519	-0.004	-0.004	0.000	0.000	0.000	0.000
520	A	576	LEU	0	0.039	0.014	14.048	0.044	0.044	0.000	0.000	0.000	0.000
521	A	577	TRP	0	0.030	0.018	16.283	-0.031	-0.031	0.000	0.000	0.000	0.000
522	A	578	PHE	0	-0.001	-0.017	11.547	-0.034	-0.034	0.000	0.000	0.000	0.000
523	A	579	ALA	0	0.035	0.015	11.773	-0.015	-0.015	0.000	0.000	0.000	0.000
524	A	580	PHE	0	0.018	0.015	12.815	-0.065	-0.065	0.000	0.000	0.000	0.000
525	A	581	ASN	0	-0.003	0.005	14.491	-0.093	-0.093	0.000	0.000	0.000	0.000
526	A	582	ARG	1	0.899	0.942	8.386	-0.405	-0.405	0.000	0.000	0.000	0.000
527	A	583	SER	0	0.005	0.028	10.909	0.124	0.124	0.000	0.000	0.000	0.000
528	A	584	PHE	0	0.013	0.001	5.237	-0.136	-0.136	0.000	0.000	0.000	0.000
529	A	585	GLU	-1	-0.785	-0.886	7.419	-0.556	-0.556	0.000	0.000	0.000	0.000
530	A	586	PRO	0	-0.001	0.004	6.134	-0.248	-0.248	0.000	0.000	0.000	0.000
531	A	587	THR	0	0.023	-0.018	3.950	-0.345	-0.089	0.003	-0.059	-0.200	0.000
532	A	588	HIS	0	0.020	0.021	3.724	0.001	0.158	0.001	-0.025	-0.134	0.000
533	A	589	ARG	1	0.782	0.881	7.933	0.167	0.167	0.000	0.000	0.000	0.000
534	A	590	ASN	0	0.043	0.022	10.706	-0.104	-0.104	0.000	0.000	0.000	0.000
535	A	591	GLU	-1	-0.939	-0.993	11.776	-0.382	-0.382	0.000	0.000	0.000	0.000
536	A	592	MET	0	-0.014	0.004	14.302	-0.005	-0.005	0.000	0.000	0.000	0.000
537	A	593	LEU	0	-0.026	-0.002	14.177	0.017	0.017	0.000	0.000	0.000	0.000
538	A	594	GLU	-1	-0.774	-0.872	17.317	-0.136	-0.136	0.000	0.000	0.000	0.000
539	A	595	ILE	0	0.004	-0.002	19.523	0.007	0.007	0.000	0.000	0.000	0.000
540	A	596	ALA	0	0.009	0.016	19.722	0.012	0.012	0.000	0.000	0.000	0.000
541	A	597	PRO	0	0.035	0.023	21.750	0.012	0.012	0.000	0.000	0.000	0.000
542	A	598	LEU	0	-0.022	-0.007	25.252	0.004	0.004	0.000	0.000	0.000	0.000
543	A	599	ILE	0	0.016	0.002	21.562	0.004	0.004	0.000	0.000	0.000	0.000
544	A	600	GLU	-1	-0.785	-0.872	23.700	0.109	0.109	0.000	0.000	0.000	0.000
545	A	601	SER	0	-0.025	-0.023	26.233	0.007	0.007	0.000	0.000	0.000	0.000
546	A	602	VAL	0	0.013	0.009	28.405	0.000	0.000	0.000	0.000	0.000	0.000
547	A	603	TYR	0	0.003	0.001	26.987	0.001	0.001	0.000	0.000	0.000	0.000
548	A	604	ALA	0	0.015	-0.003	29.236	0.001	0.001	0.000	0.000	0.000	0.000
549	A	605	SER	0	-0.023	-0.014	31.416	-0.002	-0.002	0.000	0.000	0.000	0.000
550	A	606	GLU	-1	-0.793	-0.886	32.692	0.048	0.048	0.000	0.000	0.000	0.000
551	A	607	LEU	0	-0.021	-0.010	30.381	0.001	0.001	0.000	0.000	0.000	0.000
552	A	608	SER	0	-0.024	-0.024	34.429	0.000	0.000	0.000	0.000	0.000	0.000
553	A	609	VAL	0	0.008	0.013	37.394	-0.003	-0.003	0.000	0.000	0.000	0.000
554	A	610	MET	0	0.015	0.013	35.304	0.000	0.000	0.000	0.000	0.000	0.000
555	A	611	LYS	1	0.748	0.871	36.907	-0.084	-0.084	0.000	0.000	0.000	0.000
556	A	612	VAL	0	0.024	0.008	40.488	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	613	ASP	-1	-0.764	-0.841	41.837	0.048	0.048	0.000	0.000	0.000	0.000
558	A	614	MET	0	-0.036	-0.024	38.696	0.000	0.000	0.000	0.000	0.000	0.000
559	A	615	ARG	1	0.836	0.910	42.663	-0.062	-0.062	0.000	0.000	0.000	0.000
560	A	616	HIS	0	-0.008	0.008	46.508	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	617	LEU	0	0.017	0.002	45.969	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	618	SER	0	-0.083	-0.032	47.538	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	619	LEU	0	0.003	-0.006	49.412	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	620	MET	0	-0.021	0.001	52.288	-0.003	-0.003	0.000	0.000	0.000	0.000
565	A	621	GLN	0	-0.053	-0.030	53.744	0.000	0.000	0.000	0.000	0.000	0.000
566	A	622	ARG	1	0.909	0.946	55.547	-0.041	-0.041	0.000	0.000	0.000	0.000
567	A	623	ARG	1	0.797	0.911	56.676	-0.034	-0.034	0.000	0.000	0.000	0.000
568	A	624	PHE	0	0.045	0.011	56.895	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	625	PRO	0	0.032	0.021	59.082	0.001	0.001	0.000	0.000	0.000	0.000
570	A	626	ASP	-1	-0.889	-0.948	60.134	0.034	0.034	0.000	0.000	0.000	0.000
571	A	627	VAL	0	-0.015	-0.001	57.299	0.000	0.000	0.000	0.000	0.000	0.000
572	A	628	LEU	0	-0.036	-0.016	53.791	0.002	0.002	0.000	0.000	0.000	0.000
573	A	629	ILE	0	0.024	0.027	56.494	0.003	0.003	0.000	0.000	0.000	0.000
574	A	630	GLN	0	-0.024	-0.024	55.540	0.000	0.000	0.000	0.000	0.000	0.000
575	A	631	ALA	0	-0.020	0.017	52.309	0.003	0.003	0.000	0.000	0.000	0.000
576	A	632	ARG	1	0.951	0.957	49.457	-0.057	-0.057	0.000	0.000	0.000	0.000
577	A	633	PRO	0	0.040	0.017	46.482	0.000	0.000	0.000	0.000	0.000	0.000
578	A	634	SER	0	-0.003	-0.023	44.606	0.001	0.001	0.000	0.000	0.000	0.000
579	A	635	HIS	0	0.043	0.024	44.712	0.001	0.001	0.000	0.000	0.000	0.000
580	A	636	PHE	0	0.043	0.025	44.962	0.000	0.000	0.000	0.000	0.000	0.000
581	A	637	TRP	0	0.012	0.002	37.197	0.000	0.000	0.000	0.000	0.000	0.000
582	A	638	LYS	1	0.820	0.900	41.260	-0.068	-0.068	0.000	0.000	0.000	0.000
583	A	639	ALA	0	0.037	0.020	41.760	0.000	0.000	0.000	0.000	0.000	0.000
584	A	640	VAL	0	0.011	0.001	39.870	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	641	LEU	0	-0.034	0.001	35.920	0.001	0.001	0.000	0.000	0.000	0.000
586	A	642	ASN	0	-0.032	-0.008	37.762	0.005	0.005	0.000	0.000	0.000	0.000
587	A	643	ASP	-1	-0.865	-0.908	39.172	0.047	0.047	0.000	0.000	0.000	0.000
588	A	644	SER	0	-0.013	-0.031	36.502	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	645	PRO	0	0.038	0.007	32.738	0.003	0.003	0.000	0.000	0.000	0.000
590	A	646	GLU	-1	-0.846	-0.917	31.260	0.092	0.092	0.000	0.000	0.000	0.000
591	A	647	ALA	0	0.039	0.028	27.257	0.012	0.012	0.000	0.000	0.000	0.000
592	A	648	VAL	0	0.013	0.005	27.841	0.015	0.015	0.000	0.000	0.000	0.000
593	A	649	LYS	1	0.791	0.890	29.751	-0.067	-0.067	0.000	0.000	0.000	0.000
594	A	650	ALA	0	-0.009	0.001	26.255	0.013	0.013	0.000	0.000	0.000	0.000
595	A	651	VAL	0	0.039	0.018	24.359	0.021	0.021	0.000	0.000	0.000	0.000
596	A	652	MET	0	0.009	0.015	26.073	0.017	0.017	0.000	0.000	0.000	0.000
597	A	653	ASN	0	-0.001	-0.011	28.318	0.009	0.009	0.000	0.000	0.000	0.000
598	A	654	LEU	0	0.008	0.035	21.730	0.010	0.010	0.000	0.000	0.000	0.000
599	A	655	SER	0	-0.003	0.010	25.110	0.016	0.016	0.000	0.000	0.000	0.000
600	A	656	HIS	1	0.803	0.881	27.553	-0.170	-0.170	0.000	0.000	0.000	0.000
601	A	657	SER	0	-0.051	-0.032	27.673	-0.005	-0.005	0.000	0.000	0.000	0.000
602	A	658	HIS	0	0.018	0.022	26.160	-0.011	-0.011	0.000	0.000	0.000	0.000
603	A	659	ASN	0	0.007	-0.006	28.739	-0.017	-0.017	0.000	0.000	0.000	0.000
604	A	660	PHE	0	-0.017	-0.001	31.196	-0.013	-0.013	0.000	0.000	0.000	0.000
605	A	661	ILE	0	0.002	0.007	32.811	0.000	0.000	0.000	0.000	0.000	0.000
606	A	662	ASN	0	-0.003	0.012	36.465	-0.011	-0.011	0.000	0.000	0.000	0.000
607	A	663	ILE	0	0.064	0.017	40.170	-0.001	-0.001	0.000	0.000	0.000	0.000
608	A	664	ARG	1	0.938	0.959	42.563	-0.084	-0.084	0.000	0.000	0.000	0.000
609	A	665	ASP	-1	-0.858	-0.934	37.753	0.119	0.119	0.000	0.000	0.000	0.000
610	A	666	MET	0	0.014	0.017	36.350	0.002	0.002	0.000	0.000	0.000	0.000
611	A	667	MET	0	-0.012	-0.008	39.763	-0.004	-0.004	0.000	0.000	0.000	0.000
612	A	668	ARG	1	0.947	0.978	38.984	-0.115	-0.115	0.000	0.000	0.000	0.000
613	A	669	TRP	0	0.026	0.006	34.749	-0.003	-0.003	0.000	0.000	0.000	0.000
614	A	670	VAL	0	0.015	0.007	39.024	-0.003	-0.003	0.000	0.000	0.000	0.000
615	A	671	LEU	0	-0.014	-0.009	41.440	-0.005	-0.005	0.000	0.000	0.000	0.000
616	A	672	LEU	0	-0.016	0.014	37.503	-0.004	-0.004	0.000	0.000	0.000	0.000
617	A	673	PRO	0	-0.039	-0.012	40.826	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	674	SER	0	-0.003	-0.003	37.123	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	675	LEU	0	-0.013	-0.021	37.913	0.003	0.003	0.000	0.000	0.000	0.000
620	A	676	GLN	0	0.002	0.008	32.930	-0.002	-0.002	0.000	0.000	0.000	0.000
621	A	677	PRO	0	-0.028	-0.005	36.251	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	678	SER	0	0.067	0.025	36.169	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	679	LEU	0	0.022	0.013	38.191	0.001	0.001	0.000	0.000	0.000	0.000
624	A	680	LYS	1	0.774	0.870	35.644	-0.039	-0.039	0.000	0.000	0.000	0.000
625	A	681	LEU	0	0.004	0.019	38.814	0.000	0.000	0.000	0.000	0.000	0.000
626	A	682	VAL	0	0.006	-0.008	40.757	0.000	0.000	0.000	0.000	0.000	0.000
627	A	683	LEU	0	0.005	0.005	43.514	-0.002	-0.002	0.000	0.000	0.000	0.000
628	A	684	GLU	-1	-0.776	-0.872	41.478	0.037	0.037	0.000	0.000	0.000	0.000
629	A	685	GLU	-1	-0.887	-0.919	44.719	0.034	0.034	0.000	0.000	0.000	0.000
630	A	686	GLU	-1	-0.840	-0.951	46.392	0.022	0.022	0.000	0.000	0.000	0.000
631	A	687	ALA	0	-0.019	0.011	47.670	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	688	TRP	0	-0.032	-0.035	45.247	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	689	ALA	0	-0.007	0.004	50.114	0.000	0.000	0.000	0.000	0.000	0.000
634	A	690	ALA	0	-0.049	-0.025	52.673	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	691	ALA	0	0.017	0.006	52.242	-0.001	-0.001	0.000	0.000	0.000	0.000
636	A	692	ASN	0	-0.031	-0.027	54.277	0.001	0.001	0.000	0.000	0.000	0.000
637	A	693	ASP	-1	-0.750	-0.848	55.733	0.022	0.022	0.000	0.000	0.000	0.000
638	A	694	PHE	0	0.014	-0.010	54.408	0.000	0.000	0.000	0.000	0.000	0.000
639	A	695	GLU	-1	-0.792	-0.891	59.087	0.019	0.019	0.000	0.000	0.000	0.000
640	A	696	ASP	-1	-0.821	-0.887	58.854	0.018	0.018	0.000	0.000	0.000	0.000
641	A	697	LEU	0	-0.044	-0.002	54.593	0.000	0.000	0.000	0.000	0.000	0.000
642	A	698	MET	0	-0.054	-0.011	57.945	0.000	0.000	0.000	0.000	0.000	0.000
643	A	699	LEU	0	-0.042	-0.021	56.885	0.000	0.000	0.000	0.000	0.000	0.000
644	A	700	THR	0	0.026	0.014	61.313	0.001	0.001	0.000	0.000	0.000	0.000
645	A	701	ASP	-1	-0.777	-0.865	64.404	0.025	0.025	0.000	0.000	0.000	0.000
646	A	702	GLN	0	-0.014	0.030	66.370	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	703	VAL	0	-0.011	-0.010	68.020	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	704	TYR	0	-0.026	-0.032	70.855	0.001	0.001	0.000	0.000	0.000	0.000
649	A	705	MET	0	-0.074	-0.038	74.535	0.000	0.000	0.000	0.000	0.000	0.000
650	A	706	HIS	1	0.829	0.892	77.386	-0.014	-0.014	0.000	0.000	0.000	0.000
651	A	707	ARG	1	0.882	0.950	81.058	-0.013	-0.013	0.000	0.000	0.000	0.000
652	A	708	ASP	-1	-0.812	-0.874	81.607	0.013	0.013	0.000	0.000	0.000	0.000
653	A	709	MET	0	-0.013	-0.012	83.844	0.000	0.000	0.000	0.000	0.000	0.000
654	A	710	LEU	0	-0.025	-0.009	81.480	0.000	0.000	0.000	0.000	0.000	0.000
655	A	711	PRO	0	-0.033	-0.001	83.441	0.000	0.000	0.000	0.000	0.000	0.000
656	A	712	GLU	-1	-0.773	-0.899	86.445	0.008	0.008	0.000	0.000	0.000	0.000
657	A	713	PRO	0	-0.059	-0.015	87.880	0.000	0.000	0.000	0.000	0.000	0.000
658	A	714	ARG	1	0.809	0.866	90.845	-0.005	-0.005	0.000	0.000	0.000	0.000
659	A	715	LEU	0	-0.027	-0.019	90.376	0.000	0.000	0.000	0.000	0.000	0.000
660	A	716	ASP	-1	-0.879	-0.930	94.056	0.004	0.004	0.000	0.000	0.000	0.000
661	A	717	ASP	-1	-0.868	-0.937	94.976	0.003	0.003	0.000	0.000	0.000	0.000
662	A	718	ILE	0	0.039	0.013	91.140	0.000	0.000	0.000	0.000	0.000	0.000
663	A	719	GLU	-1	-0.887	-0.942	90.777	0.002	0.002	0.000	0.000	0.000	0.000
664	A	720	ARG	1	0.854	0.929	90.490	-0.005	-0.005	0.000	0.000	0.000	0.000
665	A	721	PHE	0	0.009	-0.010	86.102	0.000	0.000	0.000	0.000	0.000	0.000
666	A	722	ARG	1	0.867	0.947	85.990	-0.002	-0.002	0.000	0.000	0.000	0.000
667	A	723	GLN	0	-0.012	-0.032	85.394	0.000	0.000	0.000	0.000	0.000	0.000
668	A	724	GLU	-1	-0.754	-0.871	78.217	0.007	0.007	0.000	0.000	0.000	0.000
669	A	725	GLY	0	0.036	0.014	81.377	0.000	0.000	0.000	0.000	0.000	0.000
670	A	726	PHE	0	-0.060	-0.047	82.424	0.000	0.000	0.000	0.000	0.000	0.000
671	A	727	TYR	0	-0.025	0.008	76.315	0.000	0.000	0.000	0.000	0.000	0.000
672	A	728	TYR	0	0.091	0.050	78.570	0.000	0.000	0.000	0.000	0.000	0.000
673	A	729	THR	0	-0.011	-0.020	73.686	0.000	0.000	0.000	0.000	0.000	0.000
674	A	730	ASN	0	-0.001	0.000	73.193	0.000	0.000	0.000	0.000	0.000	0.000
675	A	731	MET	0	-0.038	-0.015	69.942	0.001	0.001	0.000	0.000	0.000	0.000
676	A	732	LEU	0	0.005	0.011	73.962	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	733	GLU	-1	-0.941	-0.979	74.717	0.011	0.011	0.000	0.000	0.000	0.000
678	A	734	ALA	0	-0.028	-0.020	75.369	0.000	0.000	0.000	0.000	0.000	0.000
679	A	735	PRO	0	-0.036	-0.012	73.603	0.000	0.000	0.000	0.000	0.000	0.000
680	A	736	PRO	0	0.011	-0.001	75.735	0.000	0.000	0.000	0.000	0.000	0.000
681	A	737	GLU	-1	-0.855	-0.911	78.380	0.015	0.015	0.000	0.000	0.000	0.000
682	A	738	ILE	0	0.000	-0.003	76.526	0.000	0.000	0.000	0.000	0.000	0.000
683	A	739	ASP	-1	-0.963	-0.989	79.171	0.018	0.018	0.000	0.000	0.000	0.000
684	A	740	ARG	1	0.784	0.880	81.869	-0.015	-0.015	0.000	0.000	0.000	0.000
685	A	741	VAL	0	-0.036	-0.008	76.186	0.000	0.000	0.000	0.000	0.000	0.000
686	A	742	VAL	0	-0.020	-0.011	79.173	0.001	0.001	0.000	0.000	0.000	0.000
687	A	743	GLN	0	0.020	-0.008	70.824	0.000	0.000	0.000	0.000	0.000	0.000
688	A	744	TYR	0	-0.049	-0.037	74.330	0.000	0.000	0.000	0.000	0.000	0.000
689	A	745	THR	0	0.054	0.028	69.861	0.000	0.000	0.000	0.000	0.000	0.000
690	A	746	TYR	0	-0.033	-0.043	66.038	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	747	GLU	-1	-0.888	-0.961	70.171	0.030	0.030	0.000	0.000	0.000	0.000
692	A	748	ILE	0	0.014	0.016	73.306	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	749	ALA	0	0.027	0.016	74.310	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	750	ARG	1	0.875	0.935	68.595	-0.029	-0.029	0.000	0.000	0.000	0.000
695	A	751	LEU	0	0.001	0.003	75.866	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	752	GLN	0	0.064	0.037	78.924	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	753	ALA	0	-0.005	0.003	78.061	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	754	ASN	0	-0.084	-0.038	79.171	0.000	0.000	0.000	0.000	0.000	0.000
699	A	755	MET	0	-0.013	-0.005	80.989	0.000	0.000	0.000	0.000	0.000	0.000
700	A	756	GLY	0	-0.001	0.008	83.462	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	757	GLN	0	-0.004	-0.010	84.471	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	758	PHE	0	-0.007	0.005	76.306	0.000	0.000	0.000	0.000	0.000	0.000
703	A	759	ARG	1	0.938	0.963	79.505	-0.019	-0.019	0.000	0.000	0.000	0.000
704	A	760	ALA	0	0.029	0.017	83.384	0.000	0.000	0.000	0.000	0.000	0.000
705	A	761	ALA	0	-0.007	0.001	83.185	0.000	0.000	0.000	0.000	0.000	0.000
706	A	762	LEU	0	0.020	0.009	78.887	0.000	0.000	0.000	0.000	0.000	0.000
707	A	763	ARG	1	0.821	0.895	82.870	-0.014	-0.014	0.000	0.000	0.000	0.000
708	A	764	ARG	1	0.966	0.985	86.020	-0.016	-0.016	0.000	0.000	0.000	0.000
709	A	765	ILE	0	0.035	0.020	82.048	0.000	0.000	0.000	0.000	0.000	0.000
710	A	766	MET	0	-0.060	-0.012	81.200	0.000	0.000	0.000	0.000	0.000	0.000
711	A	767	ASP	-1	-0.839	-0.902	85.163	0.013	0.013	0.000	0.000	0.000	0.000
712	A	768	ASP	-1	-0.951	-0.973	87.958	0.015	0.015	0.000	0.000	0.000	0.000
713	A	769	ASP	-1	-0.851	-0.905	86.924	0.014	0.014	0.000	0.000	0.000	0.000
714	A	770	ASP	-1	-0.813	-0.903	84.144	0.016	0.016	0.000	0.000	0.000	0.000
715	A	771	TRP	0	-0.001	-0.012	78.344	0.000	0.000	0.000	0.000	0.000	0.000
716	A	772	VAL	0	-0.021	-0.009	77.293	0.001	0.001	0.000	0.000	0.000	0.000
717	A	773	ARG	1	0.787	0.852	68.546	-0.025	-0.025	0.000	0.000	0.000	0.000
718	A	774	PHE	0	-0.016	-0.002	71.557	0.000	0.000	0.000	0.000	0.000	0.000
719	A	775	GLY	0	0.021	0.004	68.413	0.000	0.000	0.000	0.000	0.000	0.000
720	A	776	GLY	0	0.069	0.036	66.596	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	777	VAL	0	-0.043	-0.007	61.910	0.001	0.001	0.000	0.000	0.000	0.000
722	A	778	LEU	0	0.003	-0.018	59.091	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	779	ARG	1	0.846	0.938	62.491	-0.025	-0.025	0.000	0.000	0.000	0.000
724	A	780	THR	0	0.020	0.007	59.312	0.001	0.001	0.000	0.000	0.000	0.000
725	A	781	VAL	0	0.014	0.017	61.915	-0.001	-0.001	0.000	0.000	0.000	0.000
726	A	782	ARG	1	0.784	0.906	59.236	-0.020	-0.020	0.000	0.000	0.000	0.000
727	A	783	VAL	0	0.035	0.016	65.016	0.000	0.000	0.000	0.000	0.000	0.000
728	A	784	LYS	1	0.879	0.939	66.673	-0.015	-0.015	0.000	0.000	0.000	0.000
729	A	785	PHE	0	0.019	0.000	67.964	0.000	0.000	0.000	0.000	0.000	0.000
730	A	786	PHE	0	-0.018	-0.015	72.214	0.000	0.000	0.000	0.000	0.000	0.000
731	A	787	ASP	-1	-0.844	-0.914	75.425	0.005	0.005	0.000	0.000	0.000	0.000
732	A	788	ALA	0	0.030	0.017	78.229	0.000	0.000	0.000	0.000	0.000	0.000
733	A	789	ARG	1	0.791	0.848	79.185	-0.010	-0.010	0.000	0.000	0.000	0.000
734	A	790	PRO	0	0.027	0.027	76.097	0.000	0.000	0.000	0.000	0.000	0.000
735	A	791	PRO	0	0.023	0.023	74.208	0.000	0.000	0.000	0.000	0.000	0.000
736	A	792	ASP	-1	-0.756	-0.862	76.925	0.011	0.011	0.000	0.000	0.000	0.000
737	A	793	ASP	-1	-0.899	-0.948	73.001	0.014	0.014	0.000	0.000	0.000	0.000
738	A	794	ILE	0	-0.096	-0.052	70.956	0.001	0.001	0.000	0.000	0.000	0.000
739	A	795	LEU	0	-0.040	0.002	74.370	0.000	0.000	0.000	0.000	0.000	0.000
740	A	796	GLN	0	-0.003	-0.030	77.861	0.000	0.000	0.000	0.000	0.000	0.000
741	A	797	GLY	0	0.029	0.031	74.063	0.000	0.000	0.000	0.000	0.000	0.000
742	A	798	LEU	0	-0.020	0.001	74.514	0.000	0.000	0.000	0.000	0.000	0.000
743	A	799	PRO	0	0.032	0.023	71.404	0.001	0.001	0.000	0.000	0.000	0.000
744	A	800	PHE	0	-0.037	-0.031	70.956	0.001	0.001	0.000	0.000	0.000	0.000
745	A	801	SER	0	-0.024	-0.004	71.506	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	802	TYR	0	0.030	-0.019	73.203	0.001	0.001	0.000	0.000	0.000	0.000
747	A	803	ASP	-1	-0.827	-0.892	72.628	0.021	0.021	0.000	0.000	0.000	0.000
748	A	804	THR	0	-0.044	-0.053	75.783	0.000	0.000	0.000	0.000	0.000	0.000
749	A	805	ASN	0	-0.042	-0.016	74.502	0.000	0.000	0.000	0.000	0.000	0.000
750	A	806	GLU	-1	-0.871	-0.938	77.640	0.021	0.021	0.000	0.000	0.000	0.000
751	A	807	LYS	1	0.928	0.955	71.598	-0.027	-0.027	0.000	0.000	0.000	0.000
752	A	808	GLY	0	0.001	0.010	77.829	0.000	0.000	0.000	0.000	0.000	0.000
753	A	809	GLY	0	0.036	0.007	79.826	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	810	LEU	0	-0.037	-0.007	77.217	0.000	0.000	0.000	0.000	0.000	0.000
755	A	811	SER	0	-0.053	-0.007	79.585	0.000	0.000	0.000	0.000	0.000	0.000
756	A	812	TYR	0	0.040	0.012	73.475	0.001	0.001	0.000	0.000	0.000	0.000
757	A	813	ALA	0	0.044	0.022	75.527	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	814	THR	0	-0.069	-0.041	69.980	0.001	0.001	0.000	0.000	0.000	0.000
759	A	815	ILE	0	-0.010	0.006	71.530	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	816	LYS	1	0.924	0.981	67.060	-0.024	-0.024	0.000	0.000	0.000	0.000
761	A	817	TYR	0	0.056	0.013	67.547	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	818	ALA	0	-0.001	0.006	66.607	0.001	0.001	0.000	0.000	0.000	0.000
763	A	819	THR	0	0.061	0.036	60.830	0.000	0.000	0.000	0.000	0.000	0.000
764	A	820	GLU	-1	-0.862	-0.919	62.249	0.021	0.021	0.000	0.000	0.000	0.000
765	A	821	THR	0	-0.010	-0.017	64.834	0.000	0.000	0.000	0.000	0.000	0.000
766	A	822	THR	0	-0.030	-0.005	66.880	0.000	0.000	0.000	0.000	0.000	0.000
767	A	823	ILE	0	0.044	0.033	67.721	0.000	0.000	0.000	0.000	0.000	0.000
768	A	824	PHE	0	-0.062	-0.046	70.043	0.000	0.000	0.000	0.000	0.000	0.000
769	A	825	TYR	0	0.036	0.018	70.261	0.000	0.000	0.000	0.000	0.000	0.000
770	A	826	LEU	0	-0.036	-0.027	74.784	0.000	0.000	0.000	0.000	0.000	0.000
771	A	827	ILE	0	0.000	0.004	75.608	0.000	0.000	0.000	0.000	0.000	0.000
772	A	828	TYR	0	-0.027	-0.029	79.409	0.000	0.000	0.000	0.000	0.000	0.000
773	A	829	ASN	0	-0.066	-0.050	79.395	0.000	0.000	0.000	0.000	0.000	0.000
774	A	830	VAL	0	-0.008	0.001	83.594	0.000	0.000	0.000	0.000	0.000	0.000
775	A	831	GLU	-1	-0.881	-0.924	87.064	0.002	0.002	0.000	0.000	0.000	0.000
776	A	832	PHE	0	-0.012	-0.020	89.639	0.000	0.000	0.000	0.000	0.000	0.000
777	A	833	SER	0	-0.057	-0.036	91.714	0.000	0.000	0.000	0.000	0.000	0.000
778	A	834	ASN	0	-0.035	-0.012	90.160	0.000	0.000	0.000	0.000	0.000	0.000
779	A	835	THR	0	0.050	0.019	93.856	0.000	0.000	0.000	0.000	0.000	0.000
780	A	836	PRO	0	0.012	0.027	95.401	0.000	0.000	0.000	0.000	0.000	0.000
781	A	837	ASP	-1	-0.794	-0.902	95.613	0.005	0.005	0.000	0.000	0.000	0.000
782	A	838	SER	0	-0.078	-0.054	93.562	0.000	0.000	0.000	0.000	0.000	0.000
783	A	839	LEU	0	-0.004	0.003	88.129	0.000	0.000	0.000	0.000	0.000	0.000
784	A	840	VAL	0	-0.051	-0.008	90.585	0.000	0.000	0.000	0.000	0.000	0.000
785	A	841	LEU	0	-0.045	-0.020	89.447	0.000	0.000	0.000	0.000	0.000	0.000
786	A	842	ILE	0	-0.042	-0.028	93.794	0.000	0.000	0.000	0.000	0.000	0.000
787	A	843	ASN	0	-0.044	-0.024	92.403	0.000	0.000	0.000	0.000	0.000	0.000
788	A	844	PRO	0	0.060	0.047	88.916	0.000	0.000	0.000	0.000	0.000	0.000
789	A	845	THR	0	-0.015	0.000	83.780	0.000	0.000	0.000	0.000	0.000	0.000
790	A	846	TYR	0	0.002	-0.006	83.736	0.000	0.000	0.000	0.000	0.000	0.000
791	A	847	THR	0	-0.043	-0.046	77.940	0.000	0.000	0.000	0.000	0.000	0.000
792	A	848	MET	0	-0.004	0.016	78.318	0.000	0.000	0.000	0.000	0.000	0.000
793	A	849	THR	0	0.022	0.012	72.330	0.001	0.001	0.000	0.000	0.000	0.000
794	A	850	LYS	1	0.830	0.915	75.101	-0.014	-0.014	0.000	0.000	0.000	0.000
795	A	851	VAL	0	0.004	-0.004	68.980	0.001	0.001	0.000	0.000	0.000	0.000
796	A	852	PHE	0	0.001	0.015	70.294	-0.001	-0.001	0.000	0.000	0.000	0.000
797	A	853	ILE	0	0.031	0.000	65.551	0.001	0.001	0.000	0.000	0.000	0.000
798	A	854	ASN	0	-0.025	0.008	67.988	-0.002	-0.002	0.000	0.000	0.000	0.000
799	A	855	LYS	1	0.758	0.857	62.305	-0.019	-0.019	0.000	0.000	0.000	0.000
800	A	856	ARG	1	0.864	0.924	67.317	-0.010	-0.010	0.000	0.000	0.000	0.000
801	A	857	ILE	0	0.010	0.008	65.472	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	858	VAL	0	-0.004	-0.007	67.466	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	859	GLU	-1	-0.817	-0.893	70.738	0.009	0.009	0.000	0.000	0.000	0.000
804	A	860	ARG	1	0.895	0.946	73.640	-0.008	-0.008	0.000	0.000	0.000	0.000
805	A	861	VAL	0	-0.069	-0.027	73.502	0.000	0.000	0.000	0.000	0.000	0.000
806	A	862	ARG	1	0.894	0.927	76.942	-0.003	-0.003	0.000	0.000	0.000	0.000
807	A	863	VAL	0	0.051	0.019	77.599	0.000	0.000	0.000	0.000	0.000	0.000
808	A	864	GLY	0	0.059	0.021	76.502	0.000	0.000	0.000	0.000	0.000	0.000
809	A	865	GLN	0	-0.002	0.007	75.627	0.000	0.000	0.000	0.000	0.000	0.000
810	A	866	ILE	0	0.018	0.015	71.538	0.001	0.001	0.000	0.000	0.000	0.000
811	A	867	LEU	0	0.053	0.012	70.602	0.000	0.000	0.000	0.000	0.000	0.000
812	A	868	ALA	0	-0.010	0.003	70.433	0.000	0.000	0.000	0.000	0.000	0.000
813	A	869	VAL	0	-0.020	-0.006	66.871	0.000	0.000	0.000	0.000	0.000	0.000
814	A	870	LEU	0	-0.019	-0.014	65.887	0.000	0.000	0.000	0.000	0.000	0.000
815	A	871	ASN	0	-0.043	-0.004	65.427	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	872	ARG	1	0.829	0.914	60.640	-0.009	-0.009	0.000	0.000	0.000	0.000
817	A	873	ARG	1	0.910	0.977	56.907	-0.002	-0.002	0.000	0.000	0.000	0.000
818	A	874	PHE	0	-0.010	0.001	55.787	0.001	0.001	0.000	0.000	0.000	0.000
819	A	875	VAL	0	0.013	0.005	53.745	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	876	ALA	0	0.012	0.001	53.219	0.001	0.001	0.000	0.000	0.000	0.000
821	A	877	TYR	0	0.021	0.006	48.972	-0.001	-0.001	0.000	0.000	0.000	0.000
822	A	878	LYS	1	0.817	0.891	51.963	0.011	0.011	0.000	0.000	0.000	0.000
823	A	879	GLY	0	0.056	0.018	52.043	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	880	LYS	1	0.884	0.949	51.409	0.022	0.022	0.000	0.000	0.000	0.000
825	A	881	MET	0	-0.006	0.027	48.986	-0.003	-0.003	0.000	0.000	0.000	0.000
826	A	882	ARG	1	0.945	0.984	42.220	0.040	0.040	0.000	0.000	0.000	0.000
827	A	883	ILE	0	0.051	0.027	43.206	0.001	0.001	0.000	0.000	0.000	0.000
828	A	884	MET	0	-0.041	-0.017	38.241	-0.004	-0.004	0.000	0.000	0.000	0.000
829	A	885	ASP	-1	-0.751	-0.819	35.673	-0.009	-0.009	0.000	0.000	0.000	0.000
830	A	886	ILE	0	-0.008	-0.012	34.404	-0.005	-0.005	0.000	0.000	0.000	0.000
831	A	887	THR	0	0.006	-0.013	32.012	0.000	0.000	0.000	0.000	0.000	0.000
832	A	888	GLN	0	0.009	-0.004	29.148	-0.008	-0.008	0.000	0.000	0.000	0.000
833	A	889	SER	0	0.016	0.005	28.735	-0.010	-0.010	0.000	0.000	0.000	0.000
834	A	890	LEU	0	-0.043	-0.023	28.392	-0.007	-0.007	0.000	0.000	0.000	0.000
835	A	891	LYS	1	0.904	0.962	23.705	0.059	0.059	0.000	0.000	0.000	0.000
836	A	892	MET	0	-0.048	-0.014	23.340	-0.012	-0.012	0.000	0.000	0.000	0.000
837	A	893	GLY	0	0.050	0.017	22.950	0.011	0.011	0.000	0.000	0.000	0.000
838	A	894	THR	0	-0.060	-0.016	19.351	-0.018	-0.018	0.000	0.000	0.000	0.000
839	A	895	LYS	1	0.840	0.913	13.678	0.230	0.230	0.000	0.000	0.000	0.000
840	A	896	LEU	0	-0.045	-0.010	16.087	-0.046	-0.046	0.000	0.000	0.000	0.000
841	A	897	ALA	0	0.017	0.008	13.281	0.007	0.007	0.000	0.000	0.000	0.000
842	A	898	ALA	0	0.035	0.018	11.353	0.056	0.056	0.000	0.000	0.000	0.000
843	A	899	PRO	0	-0.044	-0.025	13.429	-0.031	-0.031	0.000	0.000	0.000	0.000
844	A	900	THR	0	-0.013	0.001	10.203	-0.069	-0.069	0.000	0.000	0.000	0.000
845	A	901	VAL	0	-0.064	-0.025	11.629	0.074	0.074	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:57:VAL)