FMO DATABASE

FMODB ID: 4L9YN

Calculation Name: 4XGT-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4XGT

Chain ID: A

ChEMBL ID:

UniProt ID: Q873J5

Base Structure: X-ray

Registration Date: 2023-09-26

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	961
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27361169.915456
FMO2-HF: Nuclear repulsion	26976023.430677
FMO2-HF: Total energy	-385146.484779
FMO2-MP2: Total energy	-386262.188435

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:114:ILE)

Summations of interaction energy for fragment #1(A:114:ILE)

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.
-0.367	1.48	-0.019	-0.78	-1.048	0

Interaction energy analysis for fragmet #1(A:114:ILE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.018 / q_NPA : -0.024

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].
3	A	116	THR	0	-0.005	-0.012	3.877	-1.780	-0.082	-0.018	-0.773	-0.907
4	A	117	ASP	-1	-0.963	-0.973	4.986	1.302	1.451	-0.001	-0.007	-0.141
5	A	118	ALA	0	0.009	0.012	7.038	-0.272	-0.272	0.000	0.000	0.000
6	A	119	PHE	0	0.025	0.002	9.568	0.045	0.045	0.000	0.000	0.000
7	A	120	GLN	0	-0.008	0.001	11.395	-0.013	-0.013	0.000	0.000	0.000
8	A	121	THR	0	-0.065	-0.028	14.003	-0.041	-0.041	0.000	0.000	0.000
9	A	122	ALA	0	-0.027	-0.025	16.249	-0.018	-0.018	0.000	0.000	0.000
10	A	123	GLU	-1	-0.928	-0.956	13.573	0.342	0.342	0.000	0.000	0.000
11	A	124	SER	0	0.044	0.011	16.775	0.003	0.003	0.000	0.000	0.000
12	A	125	ARG	1	0.837	0.887	18.416	-0.181	-0.181	0.000	0.000	0.000
13	A	126	GLU	-1	-0.802	-0.855	20.220	0.132	0.132	0.000	0.000	0.000
14	A	127	VAL	0	-0.011	-0.011	23.300	-0.007	-0.007	0.000	0.000	0.000
15	A	128	THR	0	0.037	0.004	24.932	-0.008	-0.008	0.000	0.000	0.000
16	A	129	GLY	0	-0.049	-0.002	26.871	-0.007	-0.007	0.000	0.000	0.000
17	A	130	ALA	0	-0.013	-0.036	28.313	-0.008	-0.008	0.000	0.000	0.000
18	A	131	GLN	0	0.041	0.020	27.037	0.004	0.004	0.000	0.000	0.000
19	A	132	GLY	0	0.015	0.023	29.312	0.001	0.001	0.000	0.000	0.000
20	A	133	PHE	0	0.024	-0.013	30.341	0.000	0.000	0.000	0.000	0.000
21	A	134	ALA	0	0.006	0.020	33.851	-0.004	-0.004	0.000	0.000	0.000
22	A	135	PRO	0	0.035	0.017	34.546	0.005	0.005	0.000	0.000	0.000
23	A	136	THR	0	-0.027	-0.020	31.169	-0.002	-0.002	0.000	0.000	0.000
24	A	137	GLU	-1	-0.958	-0.968	34.128	0.080	0.080	0.000	0.000	0.000
25	A	138	GLY	0	-0.023	-0.004	36.294	-0.001	-0.001	0.000	0.000	0.000
26	A	139	GLU	-1	-0.881	-0.961	39.618	0.040	0.040	0.000	0.000	0.000
27	A	140	SER	0	-0.041	-0.013	42.224	0.002	0.002	0.000	0.000	0.000
28	A	141	ILE	0	-0.016	-0.022	44.239	-0.003	-0.003	0.000	0.000	0.000
29	A	142	VAL	0	-0.013	0.008	47.481	0.002	0.002	0.000	0.000	0.000
30	A	143	LEU	0	0.035	0.012	46.142	-0.001	-0.001	0.000	0.000	0.000
31	A	144	SER	0	0.022	-0.015	50.409	-0.001	-0.001	0.000	0.000	0.000
32	A	145	HIS	0	-0.007	0.010	47.221	-0.002	-0.002	0.000	0.000	0.000
33	A	146	ASN	0	-0.023	-0.005	47.108	0.001	0.001	0.000	0.000	0.000
34	A	147	ILE	0	0.009	0.030	51.060	-0.001	-0.001	0.000	0.000	0.000
35	A	148	GLN	0	-0.005	0.007	54.755	0.000	0.000	0.000	0.000	0.000
36	A	149	HIS	0	0.028	0.010	57.838	0.000	0.000	0.000	0.000	0.000
37	A	150	GLN	0	-0.052	-0.031	60.224	-0.001	-0.001	0.000	0.000	0.000
38	A	151	VAL	0	0.003	-0.006	64.223	0.000	0.000	0.000	0.000	0.000
39	A	152	ALA	0	0.006	0.029	67.922	0.000	0.000	0.000	0.000	0.000
40	A	153	LEU	0	0.031	-0.006	70.367	0.000	0.000	0.000	0.000	0.000
41	A	154	PRO	0	-0.020	0.002	74.037	0.000	0.000	0.000	0.000	0.000
42	A	155	PRO	0	-0.033	-0.013	77.294	0.000	0.000	0.000	0.000	0.000
43	A	156	ASP	-1	-0.846	-0.928	79.170	0.014	0.014	0.000	0.000	0.000
44	A	157	LEU	0	-0.078	-0.052	82.315	0.000	0.000	0.000	0.000	0.000
45	A	158	ASP	-1	-0.876	-0.938	85.604	0.011	0.011	0.000	0.000	0.000
46	A	159	TYR	0	-0.051	-0.035	86.408	0.000	0.000	0.000	0.000	0.000
47	A	160	GLU	-1	-0.965	-0.972	88.724	0.011	0.011	0.000	0.000	0.000
48	A	161	TYR	0	-0.072	-0.038	83.852	0.000	0.000	0.000	0.000	0.000
49	A	162	ILE	0	0.009	0.011	81.217	0.000	0.000	0.000	0.000	0.000
50	A	163	PRO	0	-0.017	0.006	79.852	0.000	0.000	0.000	0.000	0.000
51	A	164	LEU	0	-0.012	-0.003	76.176	0.000	0.000	0.000	0.000	0.000
52	A	165	SER	0	-0.034	-0.030	75.067	0.000	0.000	0.000	0.000	0.000
53	A	166	GLU	-1	-0.885	-0.937	71.922	0.019	0.019	0.000	0.000	0.000
54	A	167	HIS	0	0.007	-0.006	70.539	0.001	0.001	0.000	0.000	0.000
55	A	168	LYS	1	0.894	0.942	63.908	-0.024	-0.024	0.000	0.000	0.000
56	A	169	PRO	0	0.018	0.030	64.580	0.000	0.000	0.000	0.000	0.000
57	A	170	PRO	0	0.000	-0.010	66.090	0.001	0.001	0.000	0.000	0.000
58	A	171	ALA	0	-0.049	-0.024	61.008	0.001	0.001	0.000	0.000	0.000
59	A	172	GLU	-1	-0.951	-0.975	60.160	0.030	0.030	0.000	0.000	0.000
60	A	173	PRO	0	-0.045	-0.013	63.251	-0.001	-0.001	0.000	0.000	0.000
61	A	174	ALA	0	0.007	0.005	66.102	0.001	0.001	0.000	0.000	0.000
62	A	175	ARG	1	0.766	0.898	68.580	-0.019	-0.019	0.000	0.000	0.000
63	A	176	THR	0	0.102	0.039	63.570	0.000	0.000	0.000	0.000	0.000
64	A	177	TYR	0	0.031	-0.010	64.760	0.000	0.000	0.000	0.000	0.000
65	A	178	SER	0	-0.010	-0.001	64.058	0.000	0.000	0.000	0.000	0.000
66	A	179	PHE	0	0.066	0.055	61.283	0.001	0.001	0.000	0.000	0.000
67	A	180	LYS	1	0.822	0.894	56.667	-0.026	-0.026	0.000	0.000	0.000
68	A	181	LEU	0	0.009	0.013	57.398	0.000	0.000	0.000	0.000	0.000
69	A	182	ASP	-1	-0.805	-0.899	52.834	0.032	0.032	0.000	0.000	0.000
70	A	183	PRO	0	0.053	0.003	53.077	-0.001	-0.001	0.000	0.000	0.000
71	A	184	PHE	0	-0.006	0.003	54.577	-0.001	-0.001	0.000	0.000	0.000
72	A	185	GLN	0	-0.008	-0.007	54.994	-0.001	-0.001	0.000	0.000	0.000
73	A	186	ALA	0	0.036	0.016	58.384	-0.001	-0.001	0.000	0.000	0.000
74	A	187	LEU	0	0.017	0.017	59.001	-0.001	-0.001	0.000	0.000	0.000
75	A	188	SER	0	-0.051	-0.043	59.729	-0.001	-0.001	0.000	0.000	0.000
76	A	189	VAL	0	0.010	-0.001	62.376	-0.001	-0.001	0.000	0.000	0.000
77	A	190	ALA	0	-0.009	0.006	64.079	-0.001	-0.001	0.000	0.000	0.000
78	A	191	SER	0	-0.006	-0.020	65.977	0.000	0.000	0.000	0.000	0.000
79	A	192	ILE	0	-0.015	-0.007	66.251	-0.001	-0.001	0.000	0.000	0.000
80	A	193	GLU	-1	-0.786	-0.874	68.717	0.019	0.019	0.000	0.000	0.000
81	A	194	ARG	1	0.708	0.836	70.268	-0.019	-0.019	0.000	0.000	0.000
82	A	195	GLU	-1	-0.777	-0.872	72.790	0.016	0.016	0.000	0.000	0.000
83	A	196	GLU	-1	-0.805	-0.860	71.768	0.017	0.017	0.000	0.000	0.000
84	A	197	SER	0	0.022	-0.003	70.518	0.000	0.000	0.000	0.000	0.000
85	A	198	VAL	0	-0.013	-0.002	64.360	0.001	0.001	0.000	0.000	0.000
86	A	199	LEU	0	-0.070	-0.013	62.605	-0.001	-0.001	0.000	0.000	0.000
87	A	200	VAL	0	0.029	0.017	58.852	0.001	0.001	0.000	0.000	0.000
88	A	201	SER	0	-0.059	-0.050	58.192	-0.001	-0.001	0.000	0.000	0.000
89	A	202	ALA	0	0.071	0.022	53.592	0.001	0.001	0.000	0.000	0.000
90	A	203	HIS	0	0.073	0.050	47.700	-0.001	-0.001	0.000	0.000	0.000
91	A	204	THR	0	0.039	0.006	51.981	0.001	0.001	0.000	0.000	0.000
92	A	205	SER	0	0.019	0.015	48.019	0.000	0.000	0.000	0.000	0.000
93	A	206	ALA	0	0.037	0.020	50.288	0.001	0.001	0.000	0.000	0.000
94	A	207	GLY	0	-0.020	0.002	52.686	0.000	0.000	0.000	0.000	0.000
95	A	208	LYS	1	0.766	0.844	54.972	-0.020	-0.020	0.000	0.000	0.000
96	A	209	THR	0	0.030	0.016	58.112	0.000	0.000	0.000	0.000	0.000
97	A	210	VAL	0	0.079	0.057	58.283	-0.001	-0.001	0.000	0.000	0.000
98	A	211	VAL	0	-0.023	-0.014	60.375	0.000	0.000	0.000	0.000	0.000
99	A	212	ALA	0	-0.024	-0.012	62.950	-0.001	-0.001	0.000	0.000	0.000
100	A	213	GLU	-1	-0.814	-0.913	61.353	0.019	0.019	0.000	0.000	0.000
101	A	214	TYR	0	-0.017	-0.025	64.513	0.000	0.000	0.000	0.000	0.000
102	A	215	ALA	0	0.015	0.008	66.310	0.000	0.000	0.000	0.000	0.000
103	A	216	ILE	0	0.003	0.006	67.634	-0.001	-0.001	0.000	0.000	0.000
104	A	217	ALA	0	0.017	0.010	68.444	0.000	0.000	0.000	0.000	0.000
105	A	218	GLN	0	-0.061	-0.034	70.325	0.000	0.000	0.000	0.000	0.000
106	A	219	CYS	0	-0.044	-0.019	72.142	0.000	0.000	0.000	0.000	0.000
107	A	220	LEU	0	0.037	0.027	72.132	0.000	0.000	0.000	0.000	0.000
108	A	221	LYS	1	0.906	0.966	73.855	-0.017	-0.017	0.000	0.000	0.000
109	A	222	LYS	1	0.741	0.856	74.127	-0.017	-0.017	0.000	0.000	0.000
110	A	223	ASN	0	-0.058	-0.021	78.163	0.000	0.000	0.000	0.000	0.000
111	A	224	GLN	0	-0.003	-0.001	77.117	0.000	0.000	0.000	0.000	0.000
112	A	225	ARG	1	0.803	0.875	77.812	-0.011	-0.011	0.000	0.000	0.000
113	A	226	VAL	0	-0.009	-0.020	72.071	0.000	0.000	0.000	0.000	0.000
114	A	227	ILE	0	-0.001	0.002	73.325	0.000	0.000	0.000	0.000	0.000
115	A	228	TYR	0	-0.017	-0.045	63.378	0.000	0.000	0.000	0.000	0.000
116	A	229	THR	0	-0.040	-0.026	68.962	-0.001	-0.001	0.000	0.000	0.000
117	A	230	SER	0	0.046	0.020	64.531	0.001	0.001	0.000	0.000	0.000
118	A	231	PRO	0	0.010	0.015	63.128	-0.001	-0.001	0.000	0.000	0.000
119	A	232	ILE	0	-0.021	0.001	62.251	-0.001	-0.001	0.000	0.000	0.000
120	A	233	LYS	1	0.930	0.966	66.012	-0.008	-0.008	0.000	0.000	0.000
121	A	234	ALA	0	0.028	0.021	63.234	0.000	0.000	0.000	0.000	0.000
122	A	235	LEU	0	0.046	0.029	60.779	0.000	0.000	0.000	0.000	0.000
123	A	236	SER	0	0.016	-0.011	63.631	0.000	0.000	0.000	0.000	0.000
124	A	237	ASN	0	-0.033	-0.033	66.549	0.000	0.000	0.000	0.000	0.000
125	A	238	GLN	0	-0.023	-0.010	59.694	0.001	0.001	0.000	0.000	0.000
126	A	239	LYS	1	0.883	0.939	60.497	-0.018	-0.018	0.000	0.000	0.000
127	A	240	TYR	0	-0.057	-0.005	64.744	0.000	0.000	0.000	0.000	0.000
128	A	241	ARG	1	0.940	0.971	64.421	-0.012	-0.012	0.000	0.000	0.000
129	A	242	ASP	-1	-0.871	-0.923	61.554	0.017	0.017	0.000	0.000	0.000
130	A	243	PHE	0	0.018	-0.007	64.213	0.000	0.000	0.000	0.000	0.000
131	A	244	GLN	0	-0.089	-0.045	67.453	0.000	0.000	0.000	0.000	0.000
132	A	245	ALA	0	-0.024	-0.019	65.658	0.000	0.000	0.000	0.000	0.000
133	A	246	GLU	-1	-0.909	-0.955	65.116	0.018	0.018	0.000	0.000	0.000
134	A	247	PHE	0	-0.026	-0.026	67.185	0.000	0.000	0.000	0.000	0.000
135	A	248	GLY	0	0.025	0.038	70.885	0.000	0.000	0.000	0.000	0.000
136	A	249	ASP	-1	-0.855	-0.901	73.239	0.012	0.012	0.000	0.000	0.000
137	A	250	VAL	0	-0.026	-0.026	70.797	0.000	0.000	0.000	0.000	0.000
138	A	251	GLY	0	0.019	-0.001	74.022	0.000	0.000	0.000	0.000	0.000
139	A	252	LEU	0	-0.048	-0.019	70.783	0.000	0.000	0.000	0.000	0.000
140	A	253	MET	0	-0.034	-0.019	74.058	-0.001	-0.001	0.000	0.000	0.000
141	A	254	THR	0	-0.031	-0.023	71.452	0.000	0.000	0.000	0.000	0.000
142	A	255	GLY	0	0.023	0.012	74.665	0.000	0.000	0.000	0.000	0.000
143	A	256	ASP	-1	-0.868	-0.931	72.124	0.007	0.007	0.000	0.000	0.000
144	A	257	VAL	0	0.014	0.007	73.460	0.000	0.000	0.000	0.000	0.000
145	A	258	THR	0	-0.003	-0.011	76.106	0.000	0.000	0.000	0.000	0.000
146	A	259	ILE	0	0.010	0.006	74.733	0.000	0.000	0.000	0.000	0.000
147	A	260	ASN	0	0.042	0.018	77.198	0.000	0.000	0.000	0.000	0.000
148	A	261	PRO	0	0.071	0.020	78.919	0.000	0.000	0.000	0.000	0.000
149	A	262	THR	0	-0.031	-0.014	80.767	0.000	0.000	0.000	0.000	0.000
150	A	263	ALA	0	-0.014	0.029	76.755	0.000	0.000	0.000	0.000	0.000
151	A	264	SER	0	0.001	-0.021	77.037	0.000	0.000	0.000	0.000	0.000
152	A	265	CYS	0	-0.029	0.003	71.099	0.000	0.000	0.000	0.000	0.000
153	A	266	LEU	0	-0.015	-0.005	74.492	0.000	0.000	0.000	0.000	0.000
154	A	267	VAL	0	0.044	0.029	68.760	0.000	0.000	0.000	0.000	0.000
155	A	268	MET	0	-0.019	-0.010	71.462	-0.001	-0.001	0.000	0.000	0.000
156	A	269	THR	0	0.004	0.009	69.588	0.000	0.000	0.000	0.000	0.000
157	A	270	THR	0	0.027	-0.007	69.828	0.000	0.000	0.000	0.000	0.000
158	A	271	GLU	-1	-0.767	-0.868	71.750	0.010	0.010	0.000	0.000	0.000
159	A	272	ILE	0	-0.031	0.004	75.089	0.000	0.000	0.000	0.000	0.000
160	A	273	LEU	0	0.045	0.021	74.204	0.000	0.000	0.000	0.000	0.000
161	A	274	ARG	1	0.771	0.862	76.464	-0.008	-0.008	0.000	0.000	0.000
162	A	275	SER	0	-0.023	-0.027	78.205	0.000	0.000	0.000	0.000	0.000
163	A	276	MET	0	-0.030	-0.018	79.000	0.000	0.000	0.000	0.000	0.000
164	A	277	LEU	0	-0.045	-0.019	77.945	0.000	0.000	0.000	0.000	0.000
165	A	278	TYR	0	-0.037	-0.051	80.633	0.000	0.000	0.000	0.000	0.000
166	A	279	ARG	1	0.724	0.835	84.455	-0.007	-0.007	0.000	0.000	0.000
167	A	280	GLY	0	-0.006	0.018	85.368	0.000	0.000	0.000	0.000	0.000
168	A	281	SER	0	-0.011	-0.005	84.518	0.000	0.000	0.000	0.000	0.000
169	A	282	GLU	-1	-0.753	-0.876	85.305	0.010	0.010	0.000	0.000	0.000
170	A	283	ILE	0	0.037	0.042	80.552	0.000	0.000	0.000	0.000	0.000
171	A	284	MET	0	0.004	-0.001	78.343	0.000	0.000	0.000	0.000	0.000
172	A	285	ARG	1	0.796	0.877	82.348	-0.009	-0.009	0.000	0.000	0.000
173	A	286	GLU	-1	-0.813	-0.899	82.771	0.011	0.011	0.000	0.000	0.000
174	A	287	VAL	0	-0.060	-0.004	76.895	0.000	0.000	0.000	0.000	0.000
175	A	288	ALA	0	0.015	0.017	77.312	0.000	0.000	0.000	0.000	0.000
176	A	289	TRP	0	-0.014	-0.022	70.199	0.000	0.000	0.000	0.000	0.000
177	A	290	VAL	0	-0.006	-0.008	72.386	0.000	0.000	0.000	0.000	0.000
178	A	291	VAL	0	-0.011	-0.003	66.589	0.001	0.001	0.000	0.000	0.000
179	A	292	PHE	0	-0.003	-0.001	67.253	-0.001	-0.001	0.000	0.000	0.000
180	A	293	ASP	-1	-0.692	-0.821	61.499	0.019	0.019	0.000	0.000	0.000
181	A	294	GLU	-1	-0.878	-0.945	58.836	0.018	0.018	0.000	0.000	0.000
182	A	295	ILE	0	0.032	0.029	61.902	-0.001	-0.001	0.000	0.000	0.000
183	A	296	HIS	0	0.036	0.023	58.497	0.000	0.000	0.000	0.000	0.000
184	A	297	TYR	0	0.001	-0.016	60.310	-0.001	-0.001	0.000	0.000	0.000
185	A	298	MET	0	-0.068	-0.003	64.007	-0.001	-0.001	0.000	0.000	0.000
186	A	299	ARG	1	0.880	0.936	58.248	-0.017	-0.017	0.000	0.000	0.000
187	A	300	ASP	-1	-0.815	-0.899	64.566	0.010	0.010	0.000	0.000	0.000
188	A	301	LYS	1	0.822	0.882	65.298	-0.012	-0.012	0.000	0.000	0.000
189	A	302	ILE	0	-0.029	-0.016	67.640	0.000	0.000	0.000	0.000	0.000
190	A	303	ARG	1	0.787	0.853	66.949	-0.010	-0.010	0.000	0.000	0.000
191	A	304	GLY	0	0.034	0.035	68.974	0.000	0.000	0.000	0.000	0.000
192	A	305	VAL	0	-0.008	-0.014	69.545	0.000	0.000	0.000	0.000	0.000
193	A	306	VAL	0	0.038	0.033	72.233	0.000	0.000	0.000	0.000	0.000
194	A	307	TRP	0	0.027	0.019	66.167	0.000	0.000	0.000	0.000	0.000
195	A	308	GLU	-1	-0.716	-0.845	71.334	0.012	0.012	0.000	0.000	0.000
196	A	309	GLU	-1	-0.733	-0.836	73.657	0.009	0.009	0.000	0.000	0.000
197	A	310	THR	0	-0.031	-0.028	74.006	0.000	0.000	0.000	0.000	0.000
198	A	311	ILE	0	-0.001	-0.007	70.241	0.000	0.000	0.000	0.000	0.000
199	A	312	ILE	0	-0.040	-0.014	74.839	0.000	0.000	0.000	0.000	0.000
200	A	313	LEU	0	-0.017	-0.016	77.935	0.000	0.000	0.000	0.000	0.000
201	A	314	LEU	0	-0.014	0.006	75.113	0.000	0.000	0.000	0.000	0.000
202	A	315	PRO	0	0.002	-0.004	79.169	0.000	0.000	0.000	0.000	0.000
203	A	316	ASP	-1	-0.766	-0.866	79.912	0.012	0.012	0.000	0.000	0.000
204	A	317	LYS	1	0.755	0.876	79.847	-0.011	-0.011	0.000	0.000	0.000
205	A	318	VAL	0	-0.041	-0.002	76.286	0.000	0.000	0.000	0.000	0.000
206	A	319	ARG	1	0.848	0.927	73.283	-0.015	-0.015	0.000	0.000	0.000
207	A	320	TYR	0	0.030	-0.003	71.094	0.000	0.000	0.000	0.000	0.000
208	A	321	VAL	0	0.029	0.023	65.337	0.001	0.001	0.000	0.000	0.000
209	A	322	PHE	0	-0.001	-0.010	65.494	-0.001	-0.001	0.000	0.000	0.000
210	A	323	LEU	0	0.032	0.014	61.014	0.001	0.001	0.000	0.000	0.000
211	A	324	SER	0	-0.019	-0.026	59.355	-0.001	-0.001	0.000	0.000	0.000
212	A	325	ALA	0	0.044	0.018	55.195	0.001	0.001	0.000	0.000	0.000
213	A	326	THR	0	-0.014	0.001	52.647	0.000	0.000	0.000	0.000	0.000
214	A	327	ILE	0	0.004	0.010	55.392	-0.001	-0.001	0.000	0.000	0.000
215	A	328	PRO	0	0.019	0.011	55.483	0.000	0.000	0.000	0.000	0.000
216	A	329	ASN	0	-0.061	-0.049	58.206	0.000	0.000	0.000	0.000	0.000
217	A	330	ALA	0	0.057	0.031	60.745	-0.001	-0.001	0.000	0.000	0.000
218	A	331	PHE	0	0.017	0.022	62.665	0.000	0.000	0.000	0.000	0.000
219	A	332	GLN	0	0.096	0.057	65.078	-0.001	-0.001	0.000	0.000	0.000
220	A	333	PHE	0	-0.018	-0.018	65.889	-0.001	-0.001	0.000	0.000	0.000
221	A	334	ALA	0	0.051	0.016	67.088	-0.001	-0.001	0.000	0.000	0.000
222	A	335	GLU	-1	-0.860	-0.954	68.780	0.017	0.017	0.000	0.000	0.000
223	A	336	TRP	0	-0.084	-0.038	70.601	0.000	0.000	0.000	0.000	0.000
224	A	337	ILE	0	-0.014	-0.018	70.487	-0.001	-0.001	0.000	0.000	0.000
225	A	338	ALA	0	0.020	0.018	72.901	0.000	0.000	0.000	0.000	0.000
226	A	339	LYS	1	0.846	0.897	74.693	-0.012	-0.012	0.000	0.000	0.000
227	A	340	ILE	0	-0.125	-0.044	75.493	0.000	0.000	0.000	0.000	0.000
228	A	341	HIS	1	0.792	0.859	76.026	-0.013	-0.013	0.000	0.000	0.000
229	A	342	ARG	1	0.906	0.944	78.761	-0.012	-0.012	0.000	0.000	0.000
230	A	343	GLN	0	0.022	0.035	74.972	0.000	0.000	0.000	0.000	0.000
231	A	344	ALA	0	0.036	0.021	72.708	0.000	0.000	0.000	0.000	0.000
232	A	345	CYS	0	-0.063	-0.027	68.420	0.000	0.000	0.000	0.000	0.000
233	A	346	HIS	0	0.013	0.013	66.074	0.001	0.001	0.000	0.000	0.000
234	A	347	VAL	0	-0.015	-0.012	61.614	0.000	0.000	0.000	0.000	0.000
235	A	348	VAL	0	0.007	0.006	58.590	0.001	0.001	0.000	0.000	0.000
236	A	349	TYR	0	-0.090	-0.066	53.210	-0.001	-0.001	0.000	0.000	0.000
237	A	350	THR	0	-0.005	-0.042	51.931	0.001	0.001	0.000	0.000	0.000
238	A	351	ASP	-1	-0.850	-0.912	49.287	0.030	0.030	0.000	0.000	0.000
239	A	352	PHE	0	-0.020	0.001	45.675	0.001	0.001	0.000	0.000	0.000
240	A	353	ARG	1	0.812	0.895	44.368	-0.034	-0.034	0.000	0.000	0.000
241	A	354	PRO	0	-0.018	0.005	44.442	0.002	0.002	0.000	0.000	0.000
242	A	355	THR	0	0.038	0.032	41.101	0.002	0.002	0.000	0.000	0.000
243	A	356	PRO	0	0.017	0.013	37.747	-0.003	-0.003	0.000	0.000	0.000
244	A	357	LEU	0	0.002	-0.009	39.920	-0.002	-0.002	0.000	0.000	0.000
245	A	358	GLN	0	-0.007	0.014	31.825	0.000	0.000	0.000	0.000	0.000
246	A	359	ASN	0	-0.012	-0.024	37.435	-0.003	-0.003	0.000	0.000	0.000
247	A	360	TYR	0	-0.004	-0.028	31.356	0.002	0.002	0.000	0.000	0.000
248	A	361	PHE	0	0.044	0.020	36.097	-0.002	-0.002	0.000	0.000	0.000
249	A	362	PHE	0	-0.017	-0.027	35.439	0.000	0.000	0.000	0.000	0.000
250	A	363	PRO	0	0.036	0.032	35.110	-0.001	-0.001	0.000	0.000	0.000
251	A	364	ALA	0	0.064	0.033	37.579	-0.001	-0.001	0.000	0.000	0.000
252	A	365	GLY	0	-0.014	-0.003	38.102	-0.001	-0.001	0.000	0.000	0.000
253	A	366	GLY	0	0.004	0.007	34.298	-0.003	-0.003	0.000	0.000	0.000
254	A	367	LYS	1	0.876	0.920	28.926	0.023	0.023	0.000	0.000	0.000
255	A	368	GLY	0	0.037	0.017	29.557	-0.001	-0.001	0.000	0.000	0.000
256	A	369	ILE	0	-0.015	0.004	30.990	-0.002	-0.002	0.000	0.000	0.000
257	A	370	LEU	0	0.003	0.009	29.567	0.003	0.003	0.000	0.000	0.000
258	A	371	LEU	0	-0.005	0.009	31.541	-0.001	-0.001	0.000	0.000	0.000
259	A	372	ILE	0	0.008	0.006	33.529	0.001	0.001	0.000	0.000	0.000
260	A	373	VAL	0	-0.026	0.001	36.486	0.001	0.001	0.000	0.000	0.000
261	A	374	ASP	-1	-0.755	-0.842	34.378	0.055	0.055	0.000	0.000	0.000
262	A	375	GLU	-1	-0.765	-0.878	33.492	0.059	0.059	0.000	0.000	0.000
263	A	376	LYS	1	0.883	0.949	36.880	-0.060	-0.060	0.000	0.000	0.000
264	A	377	GLY	0	0.021	0.019	38.812	-0.002	-0.002	0.000	0.000	0.000
265	A	378	ASN	0	-0.113	-0.088	36.522	-0.003	-0.003	0.000	0.000	0.000
266	A	379	PHE	0	0.045	0.004	37.269	0.001	0.001	0.000	0.000	0.000
267	A	380	LYS	1	0.840	0.916	32.364	-0.056	-0.056	0.000	0.000	0.000
268	A	381	GLU	-1	-0.761	-0.872	35.529	0.024	0.024	0.000	0.000	0.000
269	A	382	ASN	0	-0.011	-0.002	29.991	-0.003	-0.003	0.000	0.000	0.000
270	A	383	ASN	0	-0.040	-0.033	30.400	-0.002	-0.002	0.000	0.000	0.000
271	A	384	PHE	0	0.025	0.011	33.123	-0.003	-0.003	0.000	0.000	0.000
272	A	385	ASN	0	-0.006	-0.020	35.908	-0.004	-0.004	0.000	0.000	0.000
273	A	386	GLN	0	-0.041	-0.011	29.031	-0.004	-0.004	0.000	0.000	0.000
274	A	387	ALA	0	0.017	-0.004	33.574	-0.003	-0.003	0.000	0.000	0.000
275	A	388	MET	0	0.006	0.020	35.349	-0.003	-0.003	0.000	0.000	0.000
276	A	389	ALA	0	-0.020	-0.002	34.679	-0.002	-0.002	0.000	0.000	0.000
277	A	390	MET	0	-0.099	-0.045	30.133	-0.002	-0.002	0.000	0.000	0.000
278	A	391	ILE	0	-0.023	0.007	35.359	-0.002	-0.002	0.000	0.000	0.000
279	A	392	GLU	-1	-0.847	-0.886	37.967	-0.014	-0.014	0.000	0.000	0.000
280	A	425	LYS	1	1.049	1.022	43.129	0.008	0.008	0.000	0.000	0.000
281	A	426	ALA	0	-0.009	-0.024	43.488	0.001	0.001	0.000	0.000	0.000
282	A	427	ASP	-1	-0.844	-0.937	38.708	-0.003	-0.003	0.000	0.000	0.000
283	A	428	ILE	0	0.114	0.053	39.311	0.001	0.001	0.000	0.000	0.000
284	A	429	ALA	0	0.011	0.008	40.472	0.001	0.001	0.000	0.000	0.000
285	A	430	LYS	1	0.784	0.894	34.553	0.006	0.006	0.000	0.000	0.000
286	A	431	ILE	0	0.018	0.023	35.710	0.001	0.001	0.000	0.000	0.000
287	A	432	ILE	0	0.047	0.013	36.839	0.002	0.002	0.000	0.000	0.000
288	A	433	LYS	1	0.941	0.962	34.931	0.008	0.008	0.000	0.000	0.000
289	A	434	MET	0	-0.062	-0.032	31.282	0.000	0.000	0.000	0.000	0.000
290	A	435	ILE	0	-0.011	-0.009	33.419	0.002	0.002	0.000	0.000	0.000
291	A	436	LEU	0	-0.008	0.023	36.102	0.001	0.001	0.000	0.000	0.000
292	A	437	LYS	1	0.893	0.939	30.136	0.006	0.006	0.000	0.000	0.000
293	A	438	LYS	1	0.918	0.966	26.052	-0.025	-0.025	0.000	0.000	0.000
294	A	439	ASN	0	0.015	0.035	32.090	-0.005	-0.005	0.000	0.000	0.000
295	A	440	PHE	0	0.024	0.021	32.815	0.003	0.003	0.000	0.000	0.000
296	A	441	GLN	0	0.022	0.013	37.268	-0.003	-0.003	0.000	0.000	0.000
297	A	442	PRO	0	0.023	0.011	40.599	0.002	0.002	0.000	0.000	0.000
298	A	443	VAL	0	-0.007	-0.023	40.543	0.002	0.002	0.000	0.000	0.000
299	A	444	ILE	0	0.007	0.018	43.600	-0.002	-0.002	0.000	0.000	0.000
300	A	445	VAL	0	-0.021	-0.014	44.058	0.001	0.001	0.000	0.000	0.000
301	A	446	PHE	0	0.048	0.020	46.568	-0.001	-0.001	0.000	0.000	0.000
302	A	447	ASN	0	-0.045	-0.051	48.498	-0.001	-0.001	0.000	0.000	0.000
303	A	448	PHE	0	0.040	0.008	50.485	0.001	0.001	0.000	0.000	0.000
304	A	449	SER	0	-0.030	-0.014	54.636	0.000	0.000	0.000	0.000	0.000
305	A	450	LYS	1	0.849	0.909	55.519	-0.004	-0.004	0.000	0.000	0.000
306	A	451	ARG	1	1.000	0.999	56.445	-0.002	-0.002	0.000	0.000	0.000
307	A	452	GLU	-1	-0.787	-0.886	51.594	0.004	0.004	0.000	0.000	0.000
308	A	453	CYS	0	-0.026	0.029	51.708	0.000	0.000	0.000	0.000	0.000
309	A	454	GLU	-1	-0.778	-0.862	51.504	0.003	0.003	0.000	0.000	0.000
310	A	455	GLN	0	0.000	0.003	51.571	-0.001	-0.001	0.000	0.000	0.000
311	A	456	MET	0	-0.016	0.006	47.363	0.000	0.000	0.000	0.000	0.000
312	A	457	ALA	0	0.045	0.036	47.184	0.000	0.000	0.000	0.000	0.000
313	A	458	LEU	0	-0.008	-0.003	48.527	0.000	0.000	0.000	0.000	0.000
314	A	459	ALA	0	-0.007	0.010	45.568	-0.001	-0.001	0.000	0.000	0.000
315	A	460	SER	0	-0.007	-0.020	43.971	-0.001	-0.001	0.000	0.000	0.000
316	A	461	SER	0	-0.068	-0.036	44.631	0.000	0.000	0.000	0.000	0.000
317	A	462	SER	0	-0.005	0.001	43.527	0.000	0.000	0.000	0.000	0.000
318	A	463	MET	0	-0.089	-0.031	39.972	-0.001	-0.001	0.000	0.000	0.000
319	A	464	LYS	1	0.787	0.871	41.980	0.000	0.000	0.000	0.000	0.000
320	A	465	PHE	0	-0.012	-0.018	39.538	0.000	0.000	0.000	0.000	0.000
321	A	466	ASN	0	-0.004	0.024	42.687	0.003	0.003	0.000	0.000	0.000
322	A	467	ALA	0	0.018	0.002	43.337	-0.002	-0.002	0.000	0.000	0.000
323	A	468	PRO	0	-0.008	-0.031	44.537	0.000	0.000	0.000	0.000	0.000
324	A	469	ASP	-1	-0.903	-0.941	47.399	0.010	0.010	0.000	0.000	0.000
325	A	470	GLU	-1	-0.727	-0.847	45.084	0.013	0.013	0.000	0.000	0.000
326	A	471	GLU	-1	-0.818	-0.906	47.956	0.001	0.001	0.000	0.000	0.000
327	A	472	ASN	0	-0.063	-0.026	50.711	-0.001	-0.001	0.000	0.000	0.000
328	A	473	MET	0	0.036	0.015	51.828	0.000	0.000	0.000	0.000	0.000
329	A	474	VAL	0	0.005	0.007	51.417	0.000	0.000	0.000	0.000	0.000
330	A	475	ASN	0	-0.002	0.009	54.336	-0.001	-0.001	0.000	0.000	0.000
331	A	476	LYS	1	0.869	0.933	57.039	-0.007	-0.007	0.000	0.000	0.000
332	A	477	VAL	0	0.050	0.024	55.880	0.000	0.000	0.000	0.000	0.000
333	A	478	PHE	0	0.001	-0.011	57.821	0.000	0.000	0.000	0.000	0.000
334	A	479	GLU	-1	-0.858	-0.928	59.728	0.006	0.006	0.000	0.000	0.000
335	A	480	ASN	0	-0.044	-0.017	62.218	0.000	0.000	0.000	0.000	0.000
336	A	481	ALA	0	-0.001	0.003	61.542	0.000	0.000	0.000	0.000	0.000
337	A	482	LEU	0	0.009	-0.007	62.402	0.000	0.000	0.000	0.000	0.000
338	A	483	ALA	0	0.002	0.008	65.663	-0.001	-0.001	0.000	0.000	0.000
339	A	484	SER	0	-0.030	-0.014	68.307	0.000	0.000	0.000	0.000	0.000
340	A	485	LEU	0	-0.058	-0.014	67.017	0.000	0.000	0.000	0.000	0.000
341	A	486	SER	0	0.012	-0.024	71.043	0.000	0.000	0.000	0.000	0.000
342	A	487	GLU	-1	-0.818	-0.923	71.024	0.003	0.003	0.000	0.000	0.000
343	A	488	ASP	-1	-0.863	-0.895	71.280	0.001	0.001	0.000	0.000	0.000
344	A	489	ASP	-1	-0.810	-0.899	70.726	0.003	0.003	0.000	0.000	0.000
345	A	490	LYS	1	0.790	0.872	66.803	-0.004	-0.004	0.000	0.000	0.000
346	A	491	ASN	0	-0.044	-0.018	66.335	0.000	0.000	0.000	0.000	0.000
347	A	492	LEU	0	0.001	0.020	67.203	0.000	0.000	0.000	0.000	0.000
348	A	493	PRO	0	-0.010	-0.018	65.102	0.000	0.000	0.000	0.000	0.000
349	A	494	GLN	0	-0.021	-0.025	61.484	0.000	0.000	0.000	0.000	0.000
350	A	495	ILE	0	-0.022	0.002	60.841	0.000	0.000	0.000	0.000	0.000
351	A	496	SER	0	0.011	0.006	60.731	0.000	0.000	0.000	0.000	0.000
352	A	497	ASN	0	-0.012	-0.007	56.996	-0.001	-0.001	0.000	0.000	0.000
353	A	498	ILE	0	-0.002	0.003	55.139	0.000	0.000	0.000	0.000	0.000
354	A	499	LEU	0	0.053	0.041	55.244	0.000	0.000	0.000	0.000	0.000
355	A	500	PRO	0	-0.032	-0.025	53.898	0.000	0.000	0.000	0.000	0.000
356	A	501	LEU	0	-0.071	-0.032	49.756	-0.001	-0.001	0.000	0.000	0.000
357	A	502	LEU	0	0.045	0.014	50.345	0.000	0.000	0.000	0.000	0.000
358	A	503	ARG	1	0.872	0.939	50.566	-0.001	-0.001	0.000	0.000	0.000
359	A	504	LYS	1	0.863	0.936	46.537	0.002	0.002	0.000	0.000	0.000
360	A	505	GLY	0	0.070	0.044	45.928	0.000	0.000	0.000	0.000	0.000
361	A	506	ILE	0	-0.042	-0.019	44.820	0.001	0.001	0.000	0.000	0.000
362	A	507	GLY	0	0.044	0.015	48.093	-0.001	-0.001	0.000	0.000	0.000
363	A	508	VAL	0	-0.025	-0.023	50.665	0.000	0.000	0.000	0.000	0.000
364	A	509	HIS	0	-0.028	-0.025	53.440	0.000	0.000	0.000	0.000	0.000
365	A	510	HIS	0	0.053	0.016	55.416	0.001	0.001	0.000	0.000	0.000
366	A	511	SER	0	0.026	0.002	58.082	0.000	0.000	0.000	0.000	0.000
367	A	512	GLY	0	-0.028	0.000	61.205	0.000	0.000	0.000	0.000	0.000
368	A	513	LEU	0	0.023	0.018	57.217	0.000	0.000	0.000	0.000	0.000
369	A	514	LEU	0	0.033	0.006	61.859	0.000	0.000	0.000	0.000	0.000
370	A	515	PRO	0	0.009	-0.008	63.300	0.000	0.000	0.000	0.000	0.000
371	A	516	ILE	0	0.088	0.057	63.539	0.000	0.000	0.000	0.000	0.000
372	A	517	LEU	0	0.006	0.028	60.185	0.000	0.000	0.000	0.000	0.000
373	A	518	LYS	1	0.842	0.922	59.092	-0.008	-0.008	0.000	0.000	0.000
374	A	519	GLU	-1	-0.738	-0.836	58.783	0.010	0.010	0.000	0.000	0.000
375	A	520	THR	0	0.026	-0.005	58.277	0.001	0.001	0.000	0.000	0.000
376	A	521	ILE	0	-0.055	-0.026	53.949	0.000	0.000	0.000	0.000	0.000
377	A	522	GLU	-1	-0.803	-0.907	54.556	0.013	0.013	0.000	0.000	0.000
378	A	523	ILE	0	-0.021	0.010	55.021	0.001	0.001	0.000	0.000	0.000
379	A	524	LEU	0	0.037	0.009	53.046	0.001	0.001	0.000	0.000	0.000
380	A	525	PHE	0	-0.046	-0.034	47.423	0.000	0.000	0.000	0.000	0.000
381	A	526	GLN	0	-0.031	-0.038	50.052	0.002	0.002	0.000	0.000	0.000
382	A	527	GLU	-1	-0.911	-0.955	50.971	0.014	0.014	0.000	0.000	0.000
383	A	528	GLY	0	-0.032	0.000	47.419	0.000	0.000	0.000	0.000	0.000
384	A	529	LEU	0	0.011	0.003	47.008	-0.001	-0.001	0.000	0.000	0.000
385	A	530	ILE	0	-0.050	-0.011	48.272	-0.002	-0.002	0.000	0.000	0.000
386	A	531	LYS	1	0.762	0.855	42.742	-0.012	-0.012	0.000	0.000	0.000
387	A	532	VAL	0	-0.015	-0.008	42.554	0.001	0.001	0.000	0.000	0.000
388	A	533	LEU	0	-0.010	0.010	45.376	-0.002	-0.002	0.000	0.000	0.000
389	A	534	PHE	0	0.009	0.004	44.946	0.001	0.001	0.000	0.000	0.000
390	A	535	ALA	0	0.043	-0.001	49.684	0.000	0.000	0.000	0.000	0.000
391	A	536	THR	0	0.037	0.015	51.912	0.000	0.000	0.000	0.000	0.000
392	A	537	GLU	-1	-0.816	-0.915	54.096	0.012	0.012	0.000	0.000	0.000
393	A	538	THR	0	-0.051	-0.028	55.060	0.000	0.000	0.000	0.000	0.000
394	A	539	PHE	0	0.007	-0.002	50.941	0.000	0.000	0.000	0.000	0.000
395	A	540	SER	0	-0.008	-0.009	52.134	0.000	0.000	0.000	0.000	0.000
396	A	541	ILE	0	-0.062	-0.026	53.888	0.001	0.001	0.000	0.000	0.000
397	A	542	GLY	0	0.000	0.014	56.760	0.000	0.000	0.000	0.000	0.000
398	A	543	LEU	0	0.035	0.017	55.709	0.001	0.001	0.000	0.000	0.000
399	A	544	ASN	0	0.002	0.008	54.671	0.001	0.001	0.000	0.000	0.000
400	A	545	MET	0	-0.047	-0.005	51.442	0.000	0.000	0.000	0.000	0.000
401	A	546	PRO	0	0.030	0.028	47.157	-0.001	-0.001	0.000	0.000	0.000
402	A	547	ALA	0	-0.012	-0.017	44.647	-0.001	-0.001	0.000	0.000	0.000
403	A	548	ARG	1	0.816	0.921	36.969	-0.034	-0.034	0.000	0.000	0.000
404	A	549	THR	0	-0.007	-0.026	38.401	0.003	0.003	0.000	0.000	0.000
405	A	550	VAL	0	-0.011	0.006	41.234	-0.002	-0.002	0.000	0.000	0.000
406	A	551	VAL	0	-0.025	-0.016	40.775	0.001	0.001	0.000	0.000	0.000
407	A	552	PHE	0	0.003	-0.003	43.181	0.000	0.000	0.000	0.000	0.000
408	A	553	THR	0	0.008	-0.020	44.461	0.000	0.000	0.000	0.000	0.000
409	A	554	GLN	0	-0.012	-0.008	46.115	-0.002	-0.002	0.000	0.000	0.000
410	A	555	VAL	0	0.012	0.007	44.741	0.001	0.001	0.000	0.000	0.000
411	A	556	THR	0	-0.030	-0.018	47.971	0.001	0.001	0.000	0.000	0.000
412	A	557	LYS	1	0.900	0.943	51.472	-0.010	-0.010	0.000	0.000	0.000
413	A	558	TRP	0	-0.046	-0.033	54.927	0.000	0.000	0.000	0.000	0.000
414	A	559	ASP	-1	-0.860	-0.919	57.778	0.007	0.007	0.000	0.000	0.000
415	A	560	GLY	0	0.009	0.002	60.912	0.000	0.000	0.000	0.000	0.000
416	A	561	GLN	0	-0.008	0.003	63.028	0.000	0.000	0.000	0.000	0.000
417	A	562	GLN	0	-0.054	-0.035	59.120	0.001	0.001	0.000	0.000	0.000
418	A	563	ARG	1	0.966	0.971	57.151	-0.005	-0.005	0.000	0.000	0.000
419	A	564	ARG	1	0.778	0.871	55.393	-0.012	-0.012	0.000	0.000	0.000
420	A	565	PRO	0	0.067	0.031	50.454	0.000	0.000	0.000	0.000	0.000
421	A	566	LEU	0	-0.014	0.007	50.117	0.000	0.000	0.000	0.000	0.000
422	A	567	THR	0	-0.038	-0.032	51.231	0.000	0.000	0.000	0.000	0.000
423	A	568	SER	0	0.080	0.024	50.710	0.000	0.000	0.000	0.000	0.000
424	A	569	SER	0	-0.110	-0.095	51.523	0.001	0.001	0.000	0.000	0.000
425	A	570	GLU	-1	-0.750	-0.865	53.529	0.013	0.013	0.000	0.000	0.000
426	A	571	TYR	0	0.046	0.029	43.724	0.000	0.000	0.000	0.000	0.000
427	A	572	ILE	0	-0.001	-0.005	48.351	0.001	0.001	0.000	0.000	0.000
428	A	573	GLN	0	-0.014	0.018	49.938	0.001	0.001	0.000	0.000	0.000
429	A	574	MET	0	-0.001	0.015	49.081	0.000	0.000	0.000	0.000	0.000
430	A	575	ALA	0	0.031	-0.002	45.124	0.001	0.001	0.000	0.000	0.000
431	A	576	GLY	0	-0.010	-0.002	45.629	0.002	0.002	0.000	0.000	0.000
432	A	577	ARG	1	0.774	0.885	47.797	-0.018	-0.018	0.000	0.000	0.000
433	A	578	ALA	0	-0.015	0.007	42.196	0.000	0.000	0.000	0.000	0.000
434	A	579	GLY	0	0.025	0.004	42.123	0.002	0.002	0.000	0.000	0.000
435	A	580	ARG	1	0.771	0.845	41.478	-0.032	-0.032	0.000	0.000	0.000
436	A	581	ARG	1	0.851	0.921	43.148	-0.032	-0.032	0.000	0.000	0.000
437	A	582	GLY	0	0.143	0.084	42.537	0.002	0.002	0.000	0.000	0.000
438	A	583	LEU	0	-0.092	-0.049	41.197	0.001	0.001	0.000	0.000	0.000
439	A	584	ASP	-1	-0.804	-0.862	38.692	0.034	0.034	0.000	0.000	0.000
440	A	585	ASP	-1	-0.897	-0.928	33.649	0.064	0.064	0.000	0.000	0.000
441	A	586	ARG	1	0.863	0.908	31.473	-0.055	-0.055	0.000	0.000	0.000
442	A	587	GLY	0	0.007	0.012	37.869	-0.002	-0.002	0.000	0.000	0.000
443	A	588	ILE	0	-0.075	-0.038	35.068	0.002	0.002	0.000	0.000	0.000
444	A	589	VAL	0	0.035	0.010	38.753	-0.003	-0.003	0.000	0.000	0.000
445	A	590	ILE	0	-0.023	-0.015	36.816	0.001	0.001	0.000	0.000	0.000
446	A	591	MET	0	-0.004	0.025	39.708	-0.002	-0.002	0.000	0.000	0.000
447	A	592	MET	0	-0.049	-0.013	40.428	0.000	0.000	0.000	0.000	0.000
448	A	593	VAL	0	-0.022	-0.013	40.496	0.001	0.001	0.000	0.000	0.000
449	A	594	ASP	-1	-0.871	-0.935	41.943	0.002	0.002	0.000	0.000	0.000
450	A	595	ASP	-1	-0.898	-0.940	43.975	0.001	0.001	0.000	0.000	0.000
451	A	596	LYS	1	0.813	0.878	42.446	-0.003	-0.003	0.000	0.000	0.000
452	A	597	LEU	0	-0.014	-0.026	43.732	0.000	0.000	0.000	0.000	0.000
453	A	598	GLU	-1	-0.777	-0.877	43.994	0.009	0.009	0.000	0.000	0.000
454	A	599	PRO	0	0.014	-0.003	42.386	0.001	0.001	0.000	0.000	0.000
455	A	600	GLU	-1	-0.895	-0.951	44.389	0.016	0.016	0.000	0.000	0.000
456	A	601	THR	0	-0.008	0.000	47.711	0.000	0.000	0.000	0.000	0.000
457	A	602	ALA	0	0.002	0.000	43.088	0.000	0.000	0.000	0.000	0.000
458	A	603	ARG	1	0.834	0.896	41.657	-0.025	-0.025	0.000	0.000	0.000
459	A	604	ALA	0	-0.003	-0.015	45.485	0.001	0.001	0.000	0.000	0.000
460	A	605	ILE	0	-0.036	0.002	46.777	0.000	0.000	0.000	0.000	0.000
461	A	606	VAL	0	-0.051	-0.028	41.964	0.001	0.001	0.000	0.000	0.000
462	A	607	VAL	0	-0.044	-0.026	43.239	0.002	0.002	0.000	0.000	0.000
463	A	608	GLY	0	0.001	0.021	45.885	0.001	0.001	0.000	0.000	0.000
464	A	609	ASN	0	-0.012	-0.014	49.239	0.001	0.001	0.000	0.000	0.000
465	A	610	GLN	0	0.066	0.064	51.559	-0.002	-0.002	0.000	0.000	0.000
466	A	611	ASP	-1	-0.767	-0.840	53.696	0.017	0.017	0.000	0.000	0.000
467	A	612	LYS	1	0.908	0.959	56.897	-0.019	-0.019	0.000	0.000	0.000
468	A	613	LEU	0	-0.011	0.009	60.168	-0.001	-0.001	0.000	0.000	0.000
469	A	614	ASN	0	-0.036	-0.030	62.558	0.000	0.000	0.000	0.000	0.000
470	A	615	SER	0	0.006	-0.033	65.439	0.000	0.000	0.000	0.000	0.000
471	A	616	ALA	0	0.009	0.021	68.327	0.000	0.000	0.000	0.000	0.000
472	A	617	PHE	0	-0.021	0.001	69.938	-0.001	-0.001	0.000	0.000	0.000
473	A	618	HIS	1	0.890	0.937	72.567	-0.009	-0.009	0.000	0.000	0.000
474	A	619	LEU	0	-0.004	0.008	76.145	0.000	0.000	0.000	0.000	0.000
475	A	620	GLY	0	0.022	0.008	78.740	0.000	0.000	0.000	0.000	0.000
476	A	621	TYR	0	0.012	-0.010	80.487	0.000	0.000	0.000	0.000	0.000
477	A	622	ASN	0	0.022	0.009	81.941	0.000	0.000	0.000	0.000	0.000
478	A	623	MET	0	0.005	0.028	77.648	0.000	0.000	0.000	0.000	0.000
479	A	624	VAL	0	-0.004	-0.011	82.526	0.000	0.000	0.000	0.000	0.000
480	A	625	LEU	0	-0.022	-0.011	85.312	0.000	0.000	0.000	0.000	0.000
481	A	626	ASN	0	0.014	-0.003	84.751	0.000	0.000	0.000	0.000	0.000
482	A	627	LEU	0	-0.006	-0.002	82.518	0.000	0.000	0.000	0.000	0.000
483	A	628	LEU	0	-0.004	-0.009	87.037	0.000	0.000	0.000	0.000	0.000
484	A	629	ARG	1	0.775	0.877	87.519	-0.007	-0.007	0.000	0.000	0.000
485	A	630	ILE	0	-0.066	-0.028	86.819	0.000	0.000	0.000	0.000	0.000
486	A	631	GLU	-1	-0.873	-0.943	91.134	0.007	0.007	0.000	0.000	0.000
487	A	632	ALA	0	-0.046	-0.011	90.480	0.000	0.000	0.000	0.000	0.000
488	A	633	ILE	0	-0.060	-0.027	84.886	0.000	0.000	0.000	0.000	0.000
489	A	634	SER	0	0.029	0.000	87.360	0.000	0.000	0.000	0.000	0.000
490	A	635	PRO	0	0.019	-0.004	84.683	0.000	0.000	0.000	0.000	0.000
491	A	636	GLU	-1	-0.808	-0.896	83.889	0.008	0.008	0.000	0.000	0.000
492	A	637	TYR	0	-0.002	0.006	83.347	0.000	0.000	0.000	0.000	0.000
493	A	638	MET	0	-0.003	0.005	79.815	0.000	0.000	0.000	0.000	0.000
494	A	639	LEU	0	-0.019	-0.005	79.396	0.000	0.000	0.000	0.000	0.000
495	A	640	GLU	-1	-0.843	-0.905	79.279	0.011	0.011	0.000	0.000	0.000
496	A	641	ARG	1	0.914	0.978	78.848	-0.011	-0.011	0.000	0.000	0.000
497	A	642	CYS	0	-0.056	0.003	75.518	0.000	0.000	0.000	0.000	0.000
498	A	643	PHE	0	0.023	0.007	66.798	0.000	0.000	0.000	0.000	0.000
499	A	644	PHE	0	-0.035	-0.014	71.314	0.000	0.000	0.000	0.000	0.000
500	A	645	GLN	0	0.063	0.016	72.753	0.000	0.000	0.000	0.000	0.000
501	A	646	PHE	0	0.019	0.027	70.783	0.000	0.000	0.000	0.000	0.000
502	A	647	GLN	0	-0.006	-0.020	65.952	0.000	0.000	0.000	0.000	0.000
503	A	648	ASN	0	-0.036	-0.021	70.563	0.001	0.001	0.000	0.000	0.000
504	A	649	ALA	0	0.025	0.023	72.656	0.000	0.000	0.000	0.000	0.000
505	A	650	ALA	0	0.012	0.001	69.973	0.000	0.000	0.000	0.000	0.000
506	A	651	SER	0	-0.075	-0.038	69.067	0.000	0.000	0.000	0.000	0.000
507	A	652	VAL	0	0.049	0.016	70.131	0.000	0.000	0.000	0.000	0.000
508	A	653	PRO	0	0.023	0.013	71.858	0.000	0.000	0.000	0.000	0.000
509	A	654	GLN	0	-0.067	-0.029	63.592	0.001	0.001	0.000	0.000	0.000
510	A	655	LEU	0	-0.018	-0.004	67.939	0.000	0.000	0.000	0.000	0.000
511	A	656	GLU	-1	-0.806	-0.928	70.056	0.011	0.011	0.000	0.000	0.000
512	A	657	ARG	1	0.855	0.931	66.639	-0.016	-0.016	0.000	0.000	0.000
513	A	658	GLU	-1	-0.819	-0.907	64.831	0.016	0.016	0.000	0.000	0.000
514	A	659	LEU	0	-0.034	-0.014	67.786	0.000	0.000	0.000	0.000	0.000
515	A	660	ILE	0	-0.005	-0.010	70.606	0.000	0.000	0.000	0.000	0.000
516	A	661	SER	0	-0.045	-0.032	66.219	0.000	0.000	0.000	0.000	0.000
517	A	662	LEU	0	0.018	0.032	65.348	0.000	0.000	0.000	0.000	0.000
518	A	663	GLN	0	-0.044	-0.031	67.728	-0.001	-0.001	0.000	0.000	0.000
519	A	664	GLN	0	-0.027	-0.014	67.045	0.000	0.000	0.000	0.000	0.000
520	A	665	GLU	-1	-0.820	-0.903	64.631	0.014	0.014	0.000	0.000	0.000
521	A	666	ARG	1	0.815	0.901	68.098	-0.010	-0.010	0.000	0.000	0.000
522	A	667	ASP	-1	-0.875	-0.927	70.624	0.010	0.010	0.000	0.000	0.000
523	A	668	ALA	0	-0.017	-0.016	69.178	0.000	0.000	0.000	0.000	0.000
524	A	669	ILE	0	-0.024	-0.005	65.203	0.000	0.000	0.000	0.000	0.000
525	A	670	ILE	0	-0.010	-0.008	68.840	-0.001	-0.001	0.000	0.000	0.000
526	A	671	ILE	0	-0.008	0.005	68.663	0.000	0.000	0.000	0.000	0.000
527	A	672	PRO	0	-0.043	-0.026	69.356	0.000	0.000	0.000	0.000	0.000
528	A	673	ASP	-1	-0.717	-0.842	72.298	0.006	0.006	0.000	0.000	0.000
529	A	674	GLU	-1	-0.826	-0.878	72.651	0.008	0.008	0.000	0.000	0.000
530	A	675	SER	0	-0.093	-0.063	74.266	0.000	0.000	0.000	0.000	0.000
531	A	676	ILE	0	0.001	-0.011	72.792	0.000	0.000	0.000	0.000	0.000
532	A	677	VAL	0	0.030	0.030	68.907	0.000	0.000	0.000	0.000	0.000
533	A	678	LYS	1	0.902	0.950	70.952	-0.007	-0.007	0.000	0.000	0.000
534	A	679	ASP	-1	-0.838	-0.888	73.033	0.004	0.004	0.000	0.000	0.000
535	A	680	TYR	0	0.035	0.002	66.133	0.000	0.000	0.000	0.000	0.000
536	A	681	TYR	0	-0.028	-0.021	64.474	0.000	0.000	0.000	0.000	0.000
537	A	682	GLY	0	-0.009	-0.008	68.961	0.000	0.000	0.000	0.000	0.000
538	A	683	VAL	0	-0.027	-0.013	71.118	0.000	0.000	0.000	0.000	0.000
539	A	684	ARG	1	0.903	0.945	63.065	-0.004	-0.004	0.000	0.000	0.000
540	A	685	GLN	0	0.031	0.005	63.178	0.000	0.000	0.000	0.000	0.000
541	A	686	GLN	0	-0.022	-0.014	67.405	0.000	0.000	0.000	0.000	0.000
542	A	687	LEU	0	-0.005	0.010	67.532	0.000	0.000	0.000	0.000	0.000
543	A	688	GLU	-1	-0.875	-0.922	62.745	0.002	0.002	0.000	0.000	0.000
544	A	689	GLU	-1	-0.860	-0.916	65.174	0.003	0.003	0.000	0.000	0.000
545	A	690	TYR	0	0.026	0.000	67.232	0.000	0.000	0.000	0.000	0.000
546	A	691	ASN	0	-0.027	-0.022	64.504	-0.001	-0.001	0.000	0.000	0.000
547	A	692	LYS	1	0.812	0.900	61.468	-0.004	-0.004	0.000	0.000	0.000
548	A	693	ASP	-1	-0.873	-0.932	64.948	0.000	0.000	0.000	0.000	0.000
549	A	694	MET	0	-0.051	-0.025	66.371	-0.001	-0.001	0.000	0.000	0.000
550	A	695	VAL	0	-0.041	-0.021	61.447	-0.001	-0.001	0.000	0.000	0.000
551	A	696	PHE	0	0.044	0.023	64.324	-0.001	-0.001	0.000	0.000	0.000
552	A	697	VAL	0	-0.002	-0.004	65.896	0.000	0.000	0.000	0.000	0.000
553	A	698	ILE	0	0.006	0.005	64.700	0.000	0.000	0.000	0.000	0.000
554	A	699	GLN	0	-0.047	-0.047	59.932	0.000	0.000	0.000	0.000	0.000
555	A	700	HIS	0	0.053	0.036	64.415	0.000	0.000	0.000	0.000	0.000
556	A	701	PRO	0	0.028	0.010	64.721	0.000	0.000	0.000	0.000	0.000
557	A	702	GLN	0	-0.036	-0.021	66.744	0.000	0.000	0.000	0.000	0.000
558	A	703	ASN	0	-0.030	-0.016	69.073	0.000	0.000	0.000	0.000	0.000
559	A	704	CYS	0	-0.045	-0.021	64.558	0.000	0.000	0.000	0.000	0.000
560	A	705	LEU	0	0.043	0.025	64.103	0.000	0.000	0.000	0.000	0.000
561	A	706	GLY	0	-0.018	-0.003	65.513	-0.001	-0.001	0.000	0.000	0.000
562	A	707	PHE	0	0.013	0.020	65.285	0.000	0.000	0.000	0.000	0.000
563	A	708	PHE	0	-0.009	0.012	61.129	0.000	0.000	0.000	0.000	0.000
564	A	709	GLN	0	-0.033	-0.028	61.570	0.000	0.000	0.000	0.000	0.000
565	A	710	GLU	-1	-0.765	-0.863	57.230	-0.014	-0.014	0.000	0.000	0.000
566	A	711	GLY	0	0.058	0.024	55.718	0.000	0.000	0.000	0.000	0.000
567	A	712	ARG	1	0.749	0.874	56.802	0.009	0.009	0.000	0.000	0.000
568	A	713	LEU	0	0.024	0.023	54.855	0.000	0.000	0.000	0.000	0.000
569	A	714	ILE	0	0.008	-0.003	54.605	0.001	0.001	0.000	0.000	0.000
570	A	715	HIS	1	0.835	0.904	55.025	0.004	0.004	0.000	0.000	0.000
571	A	716	ILE	0	0.005	0.003	51.958	0.000	0.000	0.000	0.000	0.000
572	A	717	LYS	1	0.787	0.871	53.379	0.000	0.000	0.000	0.000	0.000
573	A	718	SER	0	0.044	0.039	51.507	0.000	0.000	0.000	0.000	0.000
574	A	719	PRO	0	0.044	0.004	53.662	0.001	0.001	0.000	0.000	0.000
575	A	720	SER	0	-0.028	-0.014	51.855	0.001	0.001	0.000	0.000	0.000
576	A	721	GLY	0	-0.005	0.008	53.388	0.001	0.001	0.000	0.000	0.000
577	A	722	VAL	0	-0.006	-0.005	47.999	0.000	0.000	0.000	0.000	0.000
578	A	723	ASP	-1	-0.770	-0.866	51.007	-0.003	-0.003	0.000	0.000	0.000
579	A	724	TYR	0	0.007	-0.019	45.681	0.000	0.000	0.000	0.000	0.000
580	A	725	GLY	0	0.006	0.026	49.802	-0.001	-0.001	0.000	0.000	0.000
581	A	726	TRP	0	-0.033	-0.030	51.762	0.000	0.000	0.000	0.000	0.000
582	A	727	GLY	0	0.069	0.030	50.940	-0.001	-0.001	0.000	0.000	0.000
583	A	728	VAL	0	-0.042	-0.012	51.380	0.000	0.000	0.000	0.000	0.000
584	A	729	LEU	0	0.015	0.020	52.586	0.000	0.000	0.000	0.000	0.000
585	A	730	ILE	0	-0.033	-0.022	50.093	-0.001	-0.001	0.000	0.000	0.000
586	A	731	LYS	1	0.784	0.859	53.559	0.015	0.015	0.000	0.000	0.000
587	A	732	HIS	0	0.055	0.032	55.561	0.000	0.000	0.000	0.000	0.000
588	A	733	ILE	0	-0.017	0.000	55.283	0.000	0.000	0.000	0.000	0.000
589	A	734	GLN	0	0.030	0.018	58.454	0.000	0.000	0.000	0.000	0.000
590	A	735	ARG	1	0.822	0.906	57.843	0.003	0.003	0.000	0.000	0.000
591	A	736	GLN	0	0.012	0.011	59.322	0.001	0.001	0.000	0.000	0.000
592	A	737	THR	0	0.078	0.024	60.656	0.000	0.000	0.000	0.000	0.000
593	A	738	PRO	0	0.008	0.020	62.007	0.000	0.000	0.000	0.000	0.000
594	A	739	LYS	1	0.844	0.924	58.892	0.007	0.007	0.000	0.000	0.000
595	A	740	ASN	0	0.027	0.007	60.910	0.000	0.000	0.000	0.000	0.000
596	A	741	GLY	0	0.006	0.015	64.268	0.001	0.001	0.000	0.000	0.000
597	A	742	GLN	0	0.002	-0.019	62.373	0.000	0.000	0.000	0.000	0.000
598	A	743	PRO	0	-0.024	0.017	59.508	0.000	0.000	0.000	0.000	0.000
599	A	744	PRO	0	0.012	0.000	61.432	-0.001	-0.001	0.000	0.000	0.000
600	A	745	TYR	0	-0.014	-0.038	61.145	0.000	0.000	0.000	0.000	0.000
601	A	746	PRO	0	0.011	0.019	62.508	0.000	0.000	0.000	0.000	0.000
602	A	747	GLU	-1	-0.789	-0.894	64.072	-0.005	-0.005	0.000	0.000	0.000
603	A	748	GLN	0	-0.036	-0.017	63.228	-0.001	-0.001	0.000	0.000	0.000
604	A	749	GLU	-1	-0.876	-0.934	59.605	-0.002	-0.002	0.000	0.000	0.000
605	A	750	SER	0	-0.028	-0.042	60.279	0.000	0.000	0.000	0.000	0.000
606	A	751	TYR	0	0.004	-0.002	59.975	-0.001	-0.001	0.000	0.000	0.000
607	A	752	VAL	0	-0.027	-0.011	53.222	0.001	0.001	0.000	0.000	0.000
608	A	753	LEU	0	0.006	-0.003	55.084	-0.001	-0.001	0.000	0.000	0.000
609	A	754	ASP	-1	-0.882	-0.925	51.012	-0.013	-0.013	0.000	0.000	0.000
610	A	755	VAL	0	0.000	-0.021	50.626	0.000	0.000	0.000	0.000	0.000
611	A	756	LEU	0	-0.023	0.005	45.630	0.000	0.000	0.000	0.000	0.000
612	A	757	LEU	0	0.018	-0.005	47.148	0.001	0.001	0.000	0.000	0.000
613	A	758	LYS	1	0.878	0.936	43.001	0.013	0.013	0.000	0.000	0.000
614	A	759	VAL	0	-0.042	-0.037	41.097	0.002	0.002	0.000	0.000	0.000
615	A	760	SER	0	0.009	0.000	39.110	-0.002	-0.002	0.000	0.000	0.000
616	A	761	GLY	0	-0.012	-0.001	37.768	0.001	0.001	0.000	0.000	0.000
617	A	762	ASP	-1	-0.849	-0.915	33.853	-0.015	-0.015	0.000	0.000	0.000
618	A	763	PHE	0	0.030	0.027	36.406	0.000	0.000	0.000	0.000	0.000
619	A	764	ASN	0	-0.007	-0.030	38.232	-0.003	-0.003	0.000	0.000	0.000
620	A	765	PRO	0	0.023	0.004	39.809	0.001	0.001	0.000	0.000	0.000
621	A	766	LYS	1	0.789	0.885	40.440	0.015	0.015	0.000	0.000	0.000
622	A	767	THR	0	0.001	-0.017	44.356	0.000	0.000	0.000	0.000	0.000
623	A	768	ARG	1	0.961	1.004	45.883	0.008	0.008	0.000	0.000	0.000
624	A	769	GLY	0	0.030	0.026	47.861	0.001	0.001	0.000	0.000	0.000
625	A	770	GLU	-1	-0.997	-1.006	48.567	-0.002	-0.002	0.000	0.000	0.000
626	A	771	GLY	0	0.034	0.032	50.369	0.001	0.001	0.000	0.000	0.000
627	A	772	PRO	0	-0.012	-0.027	51.477	-0.001	-0.001	0.000	0.000	0.000
628	A	773	MET	0	0.011	-0.016	48.777	-0.001	-0.001	0.000	0.000	0.000
629	A	774	PRO	0	0.016	0.012	44.253	0.001	0.001	0.000	0.000	0.000
630	A	775	GLU	-1	-0.872	-0.928	42.976	-0.001	-0.001	0.000	0.000	0.000
631	A	776	GLY	0	-0.042	-0.021	41.524	0.000	0.000	0.000	0.000	0.000
632	A	777	ILE	0	0.007	0.020	38.738	0.000	0.000	0.000	0.000	0.000
633	A	778	MET	0	0.054	0.037	42.480	-0.002	-0.002	0.000	0.000	0.000
634	A	779	PRO	0	-0.025	-0.006	41.339	0.001	0.001	0.000	0.000	0.000
635	A	780	ALA	0	0.003	-0.008	42.478	0.000	0.000	0.000	0.000	0.000
636	A	781	GLY	0	0.039	0.021	43.616	0.001	0.001	0.000	0.000	0.000
637	A	782	LYS	1	0.881	0.915	35.296	0.006	0.006	0.000	0.000	0.000
638	A	783	ASP	-1	-0.904	-0.947	36.583	-0.015	-0.015	0.000	0.000	0.000
639	A	784	SER	0	-0.027	-0.002	36.680	0.001	0.001	0.000	0.000	0.000
640	A	785	LYS	1	0.788	0.872	31.037	0.010	0.010	0.000	0.000	0.000
641	A	786	ASN	0	0.043	0.025	32.381	-0.002	-0.002	0.000	0.000	0.000
642	A	787	ALA	0	0.020	0.034	35.841	0.000	0.000	0.000	0.000	0.000
643	A	788	ARG	1	0.841	0.909	36.712	0.016	0.016	0.000	0.000	0.000
644	A	789	TRP	0	-0.011	0.005	39.976	0.002	0.002	0.000	0.000	0.000
645	A	790	GLU	-1	-0.800	-0.878	40.496	-0.023	-0.023	0.000	0.000	0.000
646	A	791	VAL	0	-0.030	-0.011	43.613	0.001	0.001	0.000	0.000	0.000
647	A	792	VAL	0	-0.004	-0.008	44.825	0.000	0.000	0.000	0.000	0.000
648	A	793	PRO	0	0.013	0.022	47.155	0.000	0.000	0.000	0.000	0.000
649	A	794	CYS	0	-0.028	-0.012	50.204	0.001	0.001	0.000	0.000	0.000
650	A	795	LEU	0	-0.013	-0.008	52.510	0.000	0.000	0.000	0.000	0.000
651	A	796	LEU	0	-0.008	-0.002	55.566	0.000	0.000	0.000	0.000	0.000
652	A	797	ASN	0	0.007	-0.002	56.934	0.000	0.000	0.000	0.000	0.000
653	A	798	CYS	0	-0.023	0.010	54.258	0.001	0.001	0.000	0.000	0.000
654	A	799	LEU	0	-0.008	0.012	56.189	0.000	0.000	0.000	0.000	0.000
655	A	800	ARG	1	0.917	0.966	57.976	0.003	0.003	0.000	0.000	0.000
656	A	801	ALA	0	0.005	-0.004	59.461	0.000	0.000	0.000	0.000	0.000
657	A	802	LEU	0	0.043	0.027	59.598	-0.001	-0.001	0.000	0.000	0.000
658	A	803	GLY	0	0.046	0.029	60.486	0.000	0.000	0.000	0.000	0.000
659	A	804	GLN	0	-0.011	-0.016	61.420	-0.001	-0.001	0.000	0.000	0.000
660	A	805	LEU	0	-0.009	-0.009	62.057	0.000	0.000	0.000	0.000	0.000
661	A	806	ARG	1	0.820	0.895	59.190	0.013	0.013	0.000	0.000	0.000
662	A	807	VAL	0	0.028	0.025	53.044	0.000	0.000	0.000	0.000	0.000
663	A	808	PHE	0	-0.020	-0.016	53.731	0.000	0.000	0.000	0.000	0.000
664	A	809	LEU	0	0.022	0.015	52.122	-0.001	-0.001	0.000	0.000	0.000
665	A	810	PRO	0	0.013	0.006	49.723	0.000	0.000	0.000	0.000	0.000
666	A	811	LYS	1	0.920	0.964	51.898	0.021	0.021	0.000	0.000	0.000
667	A	812	ARG	1	0.806	0.896	46.718	0.027	0.027	0.000	0.000	0.000
668	A	813	LEU	0	0.082	0.020	46.773	0.000	0.000	0.000	0.000	0.000
669	A	814	GLU	-1	-0.820	-0.888	43.665	-0.025	-0.025	0.000	0.000	0.000
670	A	815	SER	0	-0.026	-0.012	39.918	-0.001	-0.001	0.000	0.000	0.000
671	A	816	ALA	0	0.001	-0.009	37.514	0.002	0.002	0.000	0.000	0.000
672	A	817	ASP	-1	-0.901	-0.951	39.261	-0.032	-0.032	0.000	0.000	0.000
673	A	818	GLU	-1	-0.861	-0.938	40.780	-0.029	-0.029	0.000	0.000	0.000
674	A	819	LYS	1	0.813	0.906	41.386	0.025	0.025	0.000	0.000	0.000
675	A	820	ASP	-1	-0.776	-0.885	40.814	-0.022	-0.022	0.000	0.000	0.000
676	A	821	GLY	0	0.014	0.017	43.190	0.001	0.001	0.000	0.000	0.000
677	A	822	VAL	0	-0.025	-0.023	45.623	0.001	0.001	0.000	0.000	0.000
678	A	823	GLY	0	0.040	0.000	46.092	0.001	0.001	0.000	0.000	0.000
679	A	824	LYS	1	0.817	0.893	40.995	0.024	0.024	0.000	0.000	0.000
680	A	825	ALA	0	0.023	0.019	47.238	0.001	0.001	0.000	0.000	0.000
681	A	826	VAL	0	-0.038	-0.010	49.846	0.001	0.001	0.000	0.000	0.000
682	A	827	ASP	-1	-0.788	-0.886	45.841	-0.014	-0.014	0.000	0.000	0.000
683	A	828	GLU	-1	-0.905	-0.932	49.410	-0.016	-0.016	0.000	0.000	0.000
684	A	829	ILE	0	-0.021	-0.019	51.746	0.001	0.001	0.000	0.000	0.000
685	A	830	SER	0	0.029	0.001	51.969	0.001	0.001	0.000	0.000	0.000
686	A	831	ARG	1	0.806	0.902	52.320	0.016	0.016	0.000	0.000	0.000
687	A	832	ARG	1	0.864	0.910	54.136	0.011	0.011	0.000	0.000	0.000
688	A	833	PHE	0	0.011	0.024	57.002	0.000	0.000	0.000	0.000	0.000
689	A	834	PRO	0	0.008	0.006	56.003	0.000	0.000	0.000	0.000	0.000
690	A	835	ASP	-1	-0.914	-0.953	57.046	-0.004	-0.004	0.000	0.000	0.000
691	A	836	GLY	0	-0.014	0.000	58.075	0.001	0.001	0.000	0.000	0.000
692	A	837	ILE	0	-0.036	-0.020	55.336	0.000	0.000	0.000	0.000	0.000
693	A	838	PRO	0	0.006	0.013	59.109	0.001	0.001	0.000	0.000	0.000
694	A	839	ILE	0	0.006	-0.004	61.657	0.000	0.000	0.000	0.000	0.000
695	A	840	LEU	0	-0.052	-0.016	63.677	0.000	0.000	0.000	0.000	0.000
696	A	841	ASP	-1	-0.780	-0.896	66.116	-0.003	-0.003	0.000	0.000	0.000
697	A	842	PRO	0	0.013	-0.005	67.461	0.000	0.000	0.000	0.000	0.000
698	A	843	MET	0	-0.029	-0.003	69.784	0.000	0.000	0.000	0.000	0.000
699	A	844	GLU	-1	-0.941	-0.979	72.986	-0.004	-0.004	0.000	0.000	0.000
700	A	845	ASN	0	-0.104	-0.060	69.243	-0.001	-0.001	0.000	0.000	0.000
701	A	846	MET	0	-0.073	-0.033	65.846	0.000	0.000	0.000	0.000	0.000
702	A	847	GLY	0	0.034	0.033	70.439	0.000	0.000	0.000	0.000	0.000
703	A	848	ILE	0	-0.007	0.017	69.333	0.000	0.000	0.000	0.000	0.000
704	A	849	ASN	0	0.008	-0.025	73.957	0.000	0.000	0.000	0.000	0.000
705	A	850	ASP	-1	-0.868	-0.925	75.259	-0.003	-0.003	0.000	0.000	0.000
706	A	851	ASP	-1	-0.847	-0.916	78.182	-0.002	-0.002	0.000	0.000	0.000
707	A	852	SER	0	-0.031	-0.026	77.246	0.000	0.000	0.000	0.000	0.000
708	A	853	PHE	0	0.038	0.027	70.620	0.000	0.000	0.000	0.000	0.000
709	A	854	LYS	1	0.898	0.934	75.612	0.002	0.002	0.000	0.000	0.000
710	A	855	LYS	1	0.911	0.955	78.021	0.000	0.000	0.000	0.000	0.000
711	A	856	LEU	0	-0.022	0.007	71.075	0.000	0.000	0.000	0.000	0.000
712	A	857	LEU	0	0.074	0.029	71.609	0.000	0.000	0.000	0.000	0.000
713	A	858	ARG	1	0.872	0.922	74.450	0.000	0.000	0.000	0.000	0.000
714	A	859	LYS	1	0.858	0.911	75.066	0.000	0.000	0.000	0.000	0.000
715	A	860	ILE	0	0.042	0.026	69.660	0.000	0.000	0.000	0.000	0.000
716	A	861	GLU	-1	-0.790	-0.870	72.786	0.000	0.000	0.000	0.000	0.000
717	A	862	VAL	0	-0.051	-0.014	74.479	0.000	0.000	0.000	0.000	0.000
718	A	863	LEU	0	-0.048	-0.020	71.962	0.000	0.000	0.000	0.000	0.000
719	A	864	GLU	-1	-0.846	-0.936	68.082	0.002	0.002	0.000	0.000	0.000
720	A	865	SER	0	-0.064	-0.047	72.078	0.000	0.000	0.000	0.000	0.000
721	A	866	ARG	1	0.834	0.893	75.102	-0.003	-0.003	0.000	0.000	0.000
722	A	867	LEU	0	-0.042	-0.002	67.178	0.000	0.000	0.000	0.000	0.000
723	A	868	VAL	0	-0.019	-0.022	70.516	0.000	0.000	0.000	0.000	0.000
724	A	869	ALA	0	-0.030	-0.005	72.525	0.000	0.000	0.000	0.000	0.000
725	A	870	ASN	0	-0.049	-0.034	72.562	0.000	0.000	0.000	0.000	0.000
726	A	871	PRO	0	0.020	-0.003	72.590	0.000	0.000	0.000	0.000	0.000
727	A	872	LEU	0	0.014	0.004	68.745	0.000	0.000	0.000	0.000	0.000
728	A	873	HIS	0	0.041	0.044	67.178	0.001	0.001	0.000	0.000	0.000
729	A	874	ASN	0	-0.061	-0.046	64.222	0.000	0.000	0.000	0.000	0.000
730	A	875	SER	0	0.017	0.025	66.702	0.000	0.000	0.000	0.000	0.000
731	A	876	PRO	0	0.000	-0.001	63.192	0.000	0.000	0.000	0.000	0.000
732	A	877	LEU	0	-0.020	-0.022	64.276	0.001	0.001	0.000	0.000	0.000
733	A	878	LEU	0	0.014	0.022	64.314	0.000	0.000	0.000	0.000	0.000
734	A	879	VAL	0	0.031	0.012	58.584	0.000	0.000	0.000	0.000	0.000
735	A	880	GLU	-1	-0.859	-0.932	60.833	0.009	0.009	0.000	0.000	0.000
736	A	881	LEU	0	-0.001	-0.004	62.450	0.001	0.001	0.000	0.000	0.000
737	A	882	TRP	0	-0.033	-0.006	61.598	0.000	0.000	0.000	0.000	0.000
738	A	883	ASN	0	-0.030	-0.026	58.485	0.000	0.000	0.000	0.000	0.000
739	A	884	GLN	0	0.011	0.002	61.959	0.000	0.000	0.000	0.000	0.000
740	A	885	TYR	0	0.012	-0.027	64.830	0.000	0.000	0.000	0.000	0.000
741	A	886	SER	0	0.002	0.005	62.227	0.000	0.000	0.000	0.000	0.000
742	A	887	LEU	0	-0.011	0.006	59.882	0.000	0.000	0.000	0.000	0.000
743	A	888	LYS	1	0.859	0.926	63.790	-0.010	-0.010	0.000	0.000	0.000
744	A	889	MET	0	-0.042	-0.007	65.956	0.000	0.000	0.000	0.000	0.000
745	A	890	GLN	0	0.015	0.000	61.763	0.000	0.000	0.000	0.000	0.000
746	A	891	LEU	0	0.039	0.012	63.260	0.000	0.000	0.000	0.000	0.000
747	A	892	GLY	0	0.002	0.009	66.503	0.000	0.000	0.000	0.000	0.000
748	A	893	GLU	-1	-0.829	-0.896	66.099	0.008	0.008	0.000	0.000	0.000
749	A	894	GLN	0	0.006	-0.002	61.363	0.000	0.000	0.000	0.000	0.000
750	A	895	ILE	0	0.002	0.006	66.480	0.000	0.000	0.000	0.000	0.000
751	A	896	LYS	1	0.763	0.868	69.920	-0.008	-0.008	0.000	0.000	0.000
752	A	897	GLU	-1	-0.748	-0.844	66.287	0.010	0.010	0.000	0.000	0.000
753	A	898	LYS	1	0.866	0.940	65.118	-0.013	-0.013	0.000	0.000	0.000
754	A	899	LYS	1	0.992	0.980	69.469	-0.009	-0.009	0.000	0.000	0.000
755	A	900	LYS	1	0.812	0.922	71.318	-0.008	-0.008	0.000	0.000	0.000
756	A	901	ALA	0	0.013	-0.002	68.749	0.000	0.000	0.000	0.000	0.000
757	A	902	ILE	0	0.071	0.035	70.749	0.000	0.000	0.000	0.000	0.000
758	A	903	ALA	0	-0.059	-0.027	73.609	0.000	0.000	0.000	0.000	0.000
759	A	904	ARG	1	0.740	0.825	67.610	-0.011	-0.011	0.000	0.000	0.000
760	A	905	ALA	0	0.029	0.031	72.061	0.000	0.000	0.000	0.000	0.000
761	A	906	HIS	0	0.019	0.014	73.771	0.000	0.000	0.000	0.000	0.000
762	A	907	SER	0	-0.070	-0.042	75.898	-0.001	-0.001	0.000	0.000	0.000
763	A	908	VAL	0	0.054	0.021	77.859	0.000	0.000	0.000	0.000	0.000
764	A	909	ALA	0	0.039	0.011	78.189	0.000	0.000	0.000	0.000	0.000
765	A	910	GLN	0	0.014	0.010	75.624	0.000	0.000	0.000	0.000	0.000
766	A	911	LEU	0	0.027	0.006	80.002	0.000	0.000	0.000	0.000	0.000
767	A	912	ASP	-1	-0.890	-0.959	83.210	0.007	0.007	0.000	0.000	0.000
768	A	913	GLU	-1	-0.767	-0.866	79.307	0.007	0.007	0.000	0.000	0.000
769	A	914	LEU	0	0.010	0.004	83.031	0.000	0.000	0.000	0.000	0.000
770	A	915	LYS	1	0.893	0.955	85.334	-0.007	-0.007	0.000	0.000	0.000
771	A	916	SER	0	-0.005	-0.004	85.504	0.000	0.000	0.000	0.000	0.000
772	A	917	ARG	1	0.842	0.910	80.118	-0.007	-0.007	0.000	0.000	0.000
773	A	918	LYS	1	0.844	0.906	87.175	-0.007	-0.007	0.000	0.000	0.000
774	A	919	ARG	1	0.924	0.984	90.305	-0.005	-0.005	0.000	0.000	0.000
775	A	920	VAL	0	0.035	0.016	87.558	0.000	0.000	0.000	0.000	0.000
776	A	921	LEU	0	0.003	-0.012	88.426	0.000	0.000	0.000	0.000	0.000
777	A	922	ARG	1	0.775	0.887	91.963	-0.005	-0.005	0.000	0.000	0.000
778	A	923	ARG	1	0.800	0.878	93.773	-0.004	-0.004	0.000	0.000	0.000
779	A	924	LEU	0	-0.002	0.003	91.299	0.000	0.000	0.000	0.000	0.000
780	A	925	GLY	0	0.006	0.014	94.627	0.000	0.000	0.000	0.000	0.000
781	A	926	PHE	0	-0.033	-0.019	90.950	0.000	0.000	0.000	0.000	0.000
782	A	927	ILE	0	-0.032	-0.021	92.496	0.000	0.000	0.000	0.000	0.000
783	A	928	ASN	0	0.005	0.018	95.619	0.000	0.000	0.000	0.000	0.000
784	A	929	ASP	-1	-0.902	-0.968	97.961	0.005	0.005	0.000	0.000	0.000
785	A	930	ALA	0	0.030	0.022	98.917	0.000	0.000	0.000	0.000	0.000
786	A	931	GLU	-1	-0.790	-0.876	93.940	0.006	0.006	0.000	0.000	0.000
787	A	932	VAL	0	0.004	0.008	94.892	0.000	0.000	0.000	0.000	0.000
788	A	933	VAL	0	-0.023	-0.008	91.832	0.000	0.000	0.000	0.000	0.000
789	A	934	GLN	0	0.016	-0.005	95.148	0.000	0.000	0.000	0.000	0.000
790	A	935	MET	0	0.018	0.007	95.760	0.000	0.000	0.000	0.000	0.000
791	A	936	LYS	1	0.868	0.920	94.195	-0.004	-0.004	0.000	0.000	0.000
792	A	937	ALA	0	0.024	0.014	91.449	0.000	0.000	0.000	0.000	0.000
793	A	938	ARG	1	0.965	0.976	90.812	-0.006	-0.006	0.000	0.000	0.000
794	A	939	VAL	0	0.008	0.018	90.797	0.000	0.000	0.000	0.000	0.000
795	A	940	ALA	0	0.032	0.004	87.666	0.000	0.000	0.000	0.000	0.000
796	A	941	CYS	0	-0.095	-0.030	86.464	0.000	0.000	0.000	0.000	0.000
797	A	942	GLU	-1	-0.769	-0.852	85.789	0.007	0.007	0.000	0.000	0.000
798	A	943	ILE	0	-0.061	-0.017	83.522	0.000	0.000	0.000	0.000	0.000
799	A	944	SER	0	-0.010	-0.017	79.073	0.000	0.000	0.000	0.000	0.000
800	A	945	SER	0	-0.022	-0.007	78.639	0.000	0.000	0.000	0.000	0.000
801	A	946	THR	0	0.004	-0.013	72.596	0.000	0.000	0.000	0.000	0.000
802	A	947	GLU	-1	-0.771	-0.833	75.488	0.005	0.005	0.000	0.000	0.000
803	A	948	GLY	0	0.031	0.021	77.465	0.000	0.000	0.000	0.000	0.000
804	A	949	HIS	1	0.778	0.860	78.628	-0.005	-0.005	0.000	0.000	0.000
805	A	950	GLU	-1	-0.751	-0.880	81.989	0.006	0.006	0.000	0.000	0.000
806	A	951	LEU	0	0.000	0.004	84.553	0.000	0.000	0.000	0.000	0.000
807	A	952	LEU	0	0.027	0.022	84.316	0.000	0.000	0.000	0.000	0.000
808	A	953	LEU	0	0.018	0.007	83.190	0.000	0.000	0.000	0.000	0.000
809	A	954	ALA	0	0.026	0.014	87.573	0.000	0.000	0.000	0.000	0.000
810	A	955	GLU	-1	-0.858	-0.904	90.391	0.004	0.004	0.000	0.000	0.000
811	A	956	LEU	0	-0.040	-0.018	88.012	0.000	0.000	0.000	0.000	0.000
812	A	957	LEU	0	0.004	0.003	90.451	0.000	0.000	0.000	0.000	0.000
813	A	958	PHE	0	0.007	-0.023	92.941	0.000	0.000	0.000	0.000	0.000
814	A	959	ASN	0	-0.096	-0.058	94.315	0.000	0.000	0.000	0.000	0.000
815	A	960	ARG	1	0.913	0.965	96.055	-0.004	-0.004	0.000	0.000	0.000
816	A	961	PHE	0	0.003	0.018	89.656	0.000	0.000	0.000	0.000	0.000
817	A	962	PHE	0	0.046	0.000	88.278	0.000	0.000	0.000	0.000	0.000
818	A	963	ASN	0	-0.006	0.002	93.483	0.000	0.000	0.000	0.000	0.000
819	A	964	GLU	-1	-0.855	-0.930	97.064	0.002	0.002	0.000	0.000	0.000
820	A	965	LEU	0	-0.057	-0.003	90.857	0.000	0.000	0.000	0.000	0.000
821	A	966	SER	0	0.059	0.016	91.604	0.000	0.000	0.000	0.000	0.000
822	A	967	PRO	0	0.095	0.037	89.701	0.000	0.000	0.000	0.000	0.000
823	A	968	GLU	-1	-0.814	-0.861	87.155	0.002	0.002	0.000	0.000	0.000
824	A	969	ILE	0	0.038	0.009	86.544	0.000	0.000	0.000	0.000	0.000
825	A	970	CYS	0	-0.049	-0.017	87.652	0.000	0.000	0.000	0.000	0.000
826	A	971	ALA	0	0.043	0.026	83.100	0.000	0.000	0.000	0.000	0.000
827	A	972	CYS	0	-0.062	-0.026	82.968	0.000	0.000	0.000	0.000	0.000
828	A	973	ILE	0	0.030	0.026	83.128	0.000	0.000	0.000	0.000	0.000
829	A	974	LEU	0	0.017	0.000	83.454	0.000	0.000	0.000	0.000	0.000
830	A	975	SER	0	-0.053	-0.034	78.942	0.000	0.000	0.000	0.000	0.000
831	A	976	CYS	0	-0.052	-0.029	78.637	0.000	0.000	0.000	0.000	0.000
832	A	977	PHE	0	-0.002	-0.007	79.340	0.000	0.000	0.000	0.000	0.000
833	A	978	ILE	0	0.007	0.016	75.723	0.000	0.000	0.000	0.000	0.000
834	A	979	PHE	0	-0.025	-0.012	72.607	0.000	0.000	0.000	0.000	0.000
835	A	980	ASP	-1	-0.775	-0.897	70.399	0.004	0.004	0.000	0.000	0.000
836	A	981	GLU	-1	-0.767	-0.850	65.444	0.005	0.005	0.000	0.000	0.000
837	A	982	LYS	1	0.868	0.927	68.196	-0.004	-0.004	0.000	0.000	0.000
838	A	983	ILE	0	-0.046	-0.012	68.525	0.000	0.000	0.000	0.000	0.000
839	A	984	GLU	-1	-0.896	-0.942	69.986	0.000	0.000	0.000	0.000	0.000
840	A	985	THR	0	-0.074	-0.060	71.774	0.000	0.000	0.000	0.000	0.000
841	A	986	GLN	0	0.008	0.020	73.816	0.000	0.000	0.000	0.000	0.000
842	A	987	ALA	0	0.001	-0.006	77.088	0.000	0.000	0.000	0.000	0.000
843	A	988	LEU	0	0.021	0.009	80.277	0.000	0.000	0.000	0.000	0.000
844	A	989	LYS	1	0.852	0.929	82.827	-0.001	-0.001	0.000	0.000	0.000
845	A	990	GLU	-1	-0.757	-0.872	86.039	0.001	0.001	0.000	0.000	0.000
846	A	991	GLU	-1	-0.883	-0.912	89.122	0.001	0.001	0.000	0.000	0.000
847	A	992	LEU	0	0.051	0.007	84.401	0.000	0.000	0.000	0.000	0.000
848	A	993	ALA	0	-0.015	-0.018	86.431	0.000	0.000	0.000	0.000	0.000
849	A	994	LYS	1	0.817	0.900	87.330	0.000	0.000	0.000	0.000	0.000
850	A	995	PRO	0	0.047	0.035	88.645	0.000	0.000	0.000	0.000	0.000
851	A	996	PHE	0	0.019	-0.015	81.463	0.000	0.000	0.000	0.000	0.000
852	A	997	ARG	1	0.883	0.931	86.593	-0.001	-0.001	0.000	0.000	0.000
853	A	998	GLU	-1	-0.861	-0.939	88.508	0.002	0.002	0.000	0.000	0.000
854	A	999	ILE	0	-0.023	-0.001	84.551	0.000	0.000	0.000	0.000	0.000
855	A	1000	GLN	0	0.022	0.013	81.903	0.000	0.000	0.000	0.000	0.000
856	A	1001	ALA	0	-0.011	0.003	86.341	0.000	0.000	0.000	0.000	0.000
857	A	1002	GLN	0	0.005	-0.016	89.708	0.000	0.000	0.000	0.000	0.000
858	A	1003	ALA	0	0.021	0.008	84.765	0.000	0.000	0.000	0.000	0.000
859	A	1004	ARG	1	0.832	0.901	83.418	-0.002	-0.002	0.000	0.000	0.000
860	A	1005	ILE	0	-0.057	-0.026	87.351	0.000	0.000	0.000	0.000	0.000
861	A	1006	ILE	0	0.021	0.009	86.901	0.000	0.000	0.000	0.000	0.000
862	A	1007	ALA	0	0.011	0.025	84.450	0.000	0.000	0.000	0.000	0.000
863	A	1008	LYS	1	0.996	0.991	86.072	-0.003	-0.003	0.000	0.000	0.000
864	A	1009	VAL	0	-0.027	-0.003	88.496	0.000	0.000	0.000	0.000	0.000
865	A	1010	SER	0	-0.017	-0.019	85.647	0.000	0.000	0.000	0.000	0.000
866	A	1011	ALA	0	0.046	0.031	85.739	0.000	0.000	0.000	0.000	0.000
867	A	1012	GLU	-1	-0.862	-0.911	87.013	0.004	0.004	0.000	0.000	0.000
868	A	1013	SER	0	-0.128	-0.076	89.025	0.000	0.000	0.000	0.000	0.000
869	A	1014	LYS	1	0.896	0.935	87.301	-0.004	-0.004	0.000	0.000	0.000
870	A	1015	LEU	0	-0.014	0.008	81.986	0.000	0.000	0.000	0.000	0.000
871	A	1016	ASP	-1	-0.937	-0.967	78.468	0.005	0.005	0.000	0.000	0.000
872	A	1017	VAL	0	-0.018	-0.020	80.094	0.000	0.000	0.000	0.000	0.000
873	A	1018	ASN	0	-0.070	-0.027	78.010	0.000	0.000	0.000	0.000	0.000
874	A	1019	GLU	-1	-0.875	-0.949	80.496	0.002	0.002	0.000	0.000	0.000
875	A	1020	ASP	-1	-0.820	-0.904	79.038	0.002	0.002	0.000	0.000	0.000
876	A	1021	GLU	-1	-0.865	-0.947	78.482	0.002	0.002	0.000	0.000	0.000
877	A	1022	TYR	0	0.001	0.013	78.861	0.000	0.000	0.000	0.000	0.000
878	A	1023	VAL	0	-0.055	-0.030	80.528	0.000	0.000	0.000	0.000	0.000
879	A	1024	GLN	0	0.049	0.031	74.205	0.000	0.000	0.000	0.000	0.000
880	A	1025	SER	0	-0.096	-0.079	76.585	0.000	0.000	0.000	0.000	0.000
881	A	1026	LEU	0	-0.062	-0.005	77.637	0.000	0.000	0.000	0.000	0.000
882	A	1027	LYS	1	0.806	0.920	73.371	-0.004	-0.004	0.000	0.000	0.000
883	A	1028	TRP	0	0.123	0.044	77.991	0.000	0.000	0.000	0.000	0.000
884	A	1029	GLN	0	-0.005	-0.010	73.892	0.000	0.000	0.000	0.000	0.000
885	A	1030	LEU	0	0.001	-0.001	73.455	0.000	0.000	0.000	0.000	0.000
886	A	1031	MET	0	-0.042	0.001	77.384	0.000	0.000	0.000	0.000	0.000
887	A	1032	GLU	-1	-0.779	-0.916	80.058	0.001	0.001	0.000	0.000	0.000
888	A	1033	THR	0	-0.026	-0.008	74.906	0.000	0.000	0.000	0.000	0.000
889	A	1034	VAL	0	0.017	0.006	78.312	0.000	0.000	0.000	0.000	0.000
890	A	1035	LEU	0	0.024	0.014	80.193	0.000	0.000	0.000	0.000	0.000
891	A	1036	ALA	0	-0.026	-0.011	79.960	0.000	0.000	0.000	0.000	0.000
892	A	1037	TRP	0	-0.014	-0.025	76.897	0.000	0.000	0.000	0.000	0.000
893	A	1038	ALA	0	0.046	0.033	80.592	0.000	0.000	0.000	0.000	0.000
894	A	1039	GLN	0	-0.030	-0.028	84.066	0.000	0.000	0.000	0.000	0.000
895	A	1040	GLY	0	-0.016	0.007	83.411	0.000	0.000	0.000	0.000	0.000
896	A	1041	ARG	1	0.781	0.873	80.283	-0.001	-0.001	0.000	0.000	0.000
897	A	1042	PRO	0	0.051	0.034	76.599	0.000	0.000	0.000	0.000	0.000
898	A	1043	PHE	0	0.089	0.018	70.174	0.000	0.000	0.000	0.000	0.000
899	A	1044	SER	0	0.004	-0.033	72.050	0.000	0.000	0.000	0.000	0.000
900	A	1045	GLU	-1	-0.866	-0.898	73.066	0.000	0.000	0.000	0.000	0.000
901	A	1046	ILE	0	-0.014	-0.003	74.220	0.000	0.000	0.000	0.000	0.000
902	A	1047	CYS	0	-0.037	-0.018	69.682	0.000	0.000	0.000	0.000	0.000
903	A	1048	LYS	1	0.883	0.946	70.216	0.000	0.000	0.000	0.000	0.000
904	A	1049	MET	0	-0.029	0.006	72.456	0.000	0.000	0.000	0.000	0.000
905	A	1050	THR	0	-0.022	-0.013	72.310	0.000	0.000	0.000	0.000	0.000
906	A	1051	ASN	0	0.030	0.025	67.429	0.000	0.000	0.000	0.000	0.000
907	A	1052	VAL	0	-0.030	-0.003	67.311	0.000	0.000	0.000	0.000	0.000
908	A	1053	TYR	0	-0.026	-0.047	59.374	0.000	0.000	0.000	0.000	0.000
909	A	1054	GLU	-1	-0.744	-0.884	65.204	0.003	0.003	0.000	0.000	0.000
910	A	1055	GLY	0	0.019	0.010	65.447	0.000	0.000	0.000	0.000	0.000
911	A	1056	SER	0	-0.099	-0.081	66.270	0.000	0.000	0.000	0.000	0.000
912	A	1057	LEU	0	-0.011	0.010	67.674	0.000	0.000	0.000	0.000	0.000
913	A	1058	ILE	0	0.044	0.028	68.746	0.000	0.000	0.000	0.000	0.000
914	A	1059	ARG	1	0.749	0.858	64.980	-0.006	-0.006	0.000	0.000	0.000
915	A	1060	LEU	0	-0.030	-0.012	70.488	0.000	0.000	0.000	0.000	0.000
916	A	1061	PHE	0	0.047	0.005	73.111	0.000	0.000	0.000	0.000	0.000
917	A	1062	ARG	1	0.812	0.909	71.023	-0.007	-0.007	0.000	0.000	0.000
918	A	1063	ARG	1	0.863	0.926	72.944	-0.006	-0.006	0.000	0.000	0.000
919	A	1064	LEU	0	-0.009	0.011	75.695	0.000	0.000	0.000	0.000	0.000
920	A	1065	GLU	-1	-0.788	-0.894	78.050	0.006	0.006	0.000	0.000	0.000
921	A	1066	GLU	-1	-0.879	-0.927	75.545	0.008	0.008	0.000	0.000	0.000
922	A	1067	LEU	0	-0.001	-0.001	79.413	0.000	0.000	0.000	0.000	0.000
923	A	1068	LEU	0	-0.021	-0.015	81.531	0.000	0.000	0.000	0.000	0.000
924	A	1069	ARG	1	0.817	0.885	78.203	-0.006	-0.006	0.000	0.000	0.000
925	A	1070	GLN	0	0.013	0.013	79.429	0.000	0.000	0.000	0.000	0.000
926	A	1071	MET	0	-0.017	-0.008	84.856	0.000	0.000	0.000	0.000	0.000
927	A	1072	ALA	0	0.012	0.017	87.442	0.000	0.000	0.000	0.000	0.000
928	A	1073	GLU	-1	-0.759	-0.852	87.163	0.006	0.006	0.000	0.000	0.000
929	A	1074	ALA	0	0.008	-0.002	88.736	0.000	0.000	0.000	0.000	0.000
930	A	1075	ALA	0	-0.015	-0.016	90.598	0.000	0.000	0.000	0.000	0.000
931	A	1076	ARG	1	0.889	0.933	91.015	-0.006	-0.006	0.000	0.000	0.000
932	A	1077	VAL	0	-0.060	-0.020	91.979	0.000	0.000	0.000	0.000	0.000
933	A	1078	MET	0	-0.071	-0.011	94.779	0.000	0.000	0.000	0.000	0.000
934	A	1079	GLY	0	-0.034	-0.036	96.543	0.000	0.000	0.000	0.000	0.000
935	A	1080	SER	0	-0.015	0.002	98.472	0.000	0.000	0.000	0.000	0.000
936	A	1081	GLU	-1	-0.762	-0.891	96.064	0.005	0.005	0.000	0.000	0.000
937	A	1082	GLU	-1	-0.919	-0.948	96.345	0.003	0.003	0.000	0.000	0.000
938	A	1083	LEU	0	-0.096	-0.047	94.100	0.000	0.000	0.000	0.000	0.000
939	A	1084	LYS	1	0.792	0.903	91.595	-0.005	-0.005	0.000	0.000	0.000
940	A	1085	ASP	-1	-0.776	-0.894	91.583	0.004	0.004	0.000	0.000	0.000
941	A	1086	LYS	1	0.797	0.897	91.873	-0.003	-0.003	0.000	0.000	0.000
942	A	1087	PHE	0	0.007	-0.016	88.055	0.000	0.000	0.000	0.000	0.000
943	A	1088	GLU	-1	-0.891	-0.947	87.538	0.005	0.005	0.000	0.000	0.000
944	A	1089	LEU	0	-0.007	-0.007	87.846	0.000	0.000	0.000	0.000	0.000
945	A	1090	SER	0	-0.070	-0.058	86.721	0.000	0.000	0.000	0.000	0.000
946	A	1091	LEU	0	-0.023	-0.009	82.844	0.000	0.000	0.000	0.000	0.000
947	A	1092	SER	0	-0.006	-0.025	83.278	0.000	0.000	0.000	0.000	0.000
948	A	1093	LYS	1	0.775	0.895	85.017	-0.003	-0.003	0.000	0.000	0.000
949	A	1094	ILE	0	-0.023	-0.014	80.142	0.000	0.000	0.000	0.000	0.000
950	A	1095	ARG	1	0.922	0.975	79.132	-0.005	-0.005	0.000	0.000	0.000
951	A	1096	ARG	1	0.821	0.900	79.074	-0.003	-0.003	0.000	0.000	0.000
952	A	1097	ASP	-1	-0.832	-0.931	76.290	0.004	0.004	0.000	0.000	0.000
953	A	1098	ILE	0	0.023	0.019	68.870	0.000	0.000	0.000	0.000	0.000
954	A	1099	VAL	0	-0.061	-0.025	72.303	0.000	0.000	0.000	0.000	0.000
955	A	1100	SER	0	-0.005	-0.005	74.235	0.000	0.000	0.000	0.000	0.000
956	A	1101	PHE	0	0.008	0.021	67.169	0.000	0.000	0.000	0.000	0.000
957	A	1102	ASN	0	-0.023	-0.004	71.785	0.000	0.000	0.000	0.000	0.000
958	A	1103	SER	0	-0.012	-0.041	66.397	0.000	0.000	0.000	0.000	0.000
959	A	1104	LEU	0	-0.044	-0.017	62.668	0.000	0.000	0.000	0.000	0.000
960	A	1105	TYR	0	-0.075	-0.041	65.652	0.000	0.000	0.000	0.000	0.000
961	A	1106	LEU	0	-0.011	-0.010	59.667	0.001	0.001	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:114:ILE)