FMO DATABASE

FMODB ID: 2NY8R

Calculation Name: 2XO4-A-Xray372

Preferred Name:

Target Type:

Ligand Name: 3-amino-l-tyrosine

ligand 3-letter code: TY2

PDB ID: 2XO4

Chain ID: A

ChEMBL ID:

UniProt ID: P00452

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	734
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19222569.680752
FMO2-HF: Nuclear repulsion	18931563.057355
FMO2-HF: Total energy	-291006.623397
FMO2-MP2: Total energy	-291857.702225

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

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

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

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-1.469	0.959	-0.014	-0.89	-1.525	0

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.071 / q_NPA : -0.053

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	6	LEU	0	0.009	0.010	3.868	-0.628	1.296	-0.014	-0.788	-1.122
4	A	7	VAL	0	-0.014	-0.004	5.596	-1.453	-1.444	-0.001	-0.002	-0.006
5	A	8	THR	0	0.012	-0.002	8.991	0.302	0.302	0.000	0.000	0.000
6	A	9	LYS	1	0.764	0.869	12.070	-1.281	-1.281	0.000	0.000	0.000
7	A	10	ARG	1	0.871	0.916	14.370	-0.371	-0.371	0.000	0.000	0.000
8	A	11	ASP	-1	-0.852	-0.898	16.397	0.724	0.724	0.000	0.000	0.000
9	A	12	GLY	0	0.051	0.042	16.420	-0.064	-0.064	0.000	0.000	0.000
10	A	13	SER	0	-0.076	-0.058	13.347	0.120	0.120	0.000	0.000	0.000
11	A	14	THR	0	-0.045	-0.039	8.680	0.254	0.254	0.000	0.000	0.000
12	A	15	GLU	-1	-0.840	-0.903	7.342	1.451	1.451	0.000	0.000	0.000
13	A	16	ARG	1	0.985	0.986	3.777	-2.267	-1.793	0.002	-0.092	-0.385
14	A	17	ILE	0	0.076	0.059	5.082	-0.658	-0.658	0.000	0.000	0.000
15	A	18	ASN	0	-0.021	-0.022	7.208	-0.731	-0.731	0.000	0.000	0.000
16	A	19	LEU	0	0.081	0.025	7.031	0.118	0.118	0.000	0.000	0.000
17	A	20	ASP	-1	-0.768	-0.862	10.594	-0.532	-0.532	0.000	0.000	0.000
18	A	21	LYS	1	0.900	0.946	13.132	-0.026	-0.026	0.000	0.000	0.000
19	A	22	ILE	0	-0.009	0.006	11.801	0.052	0.052	0.000	0.000	0.000
20	A	23	HIS	1	0.845	0.904	14.802	0.413	0.413	0.000	0.000	0.000
21	A	24	ARG	1	0.841	0.905	16.301	0.375	0.375	0.000	0.000	0.000
22	A	25	VAL	0	-0.027	-0.009	18.518	0.024	0.024	0.000	0.000	0.000
23	A	26	LEU	0	-0.011	-0.015	17.262	0.016	0.016	0.000	0.000	0.000
24	A	27	ASP	-1	-0.840	-0.932	20.847	-0.239	-0.239	0.000	0.000	0.000
25	A	28	TRP	0	0.005	0.011	22.780	0.019	0.019	0.000	0.000	0.000
26	A	29	ALA	0	-0.045	-0.020	24.117	0.009	0.009	0.000	0.000	0.000
27	A	30	ALA	0	0.002	-0.013	24.758	0.010	0.010	0.000	0.000	0.000
28	A	31	GLU	-1	-0.906	-0.934	26.673	-0.090	-0.090	0.000	0.000	0.000
29	A	32	GLY	0	-0.013	-0.006	29.176	0.015	0.015	0.000	0.000	0.000
30	A	33	LEU	0	-0.098	-0.029	28.395	0.006	0.006	0.000	0.000	0.000
31	A	34	HIS	0	0.019	0.006	30.753	-0.020	-0.020	0.000	0.000	0.000
32	A	35	ASN	0	-0.065	-0.048	30.503	0.007	0.007	0.000	0.000	0.000
33	A	36	VAL	0	0.028	0.027	26.369	0.004	0.004	0.000	0.000	0.000
34	A	37	SER	0	-0.015	-0.015	22.833	-0.022	-0.022	0.000	0.000	0.000
35	A	38	ILE	0	0.059	0.022	18.869	0.005	0.005	0.000	0.000	0.000
36	A	39	SER	0	0.062	0.029	17.722	0.010	0.010	0.000	0.000	0.000
37	A	40	GLN	0	-0.021	-0.004	17.742	-0.005	-0.005	0.000	0.000	0.000
38	A	41	VAL	0	0.017	0.016	18.860	0.014	0.014	0.000	0.000	0.000
39	A	42	GLU	-1	-0.818	-0.882	14.375	-0.424	-0.424	0.000	0.000	0.000
40	A	43	LEU	0	-0.016	-0.014	14.414	-0.008	-0.008	0.000	0.000	0.000
41	A	44	ARG	1	0.941	0.970	15.168	0.111	0.111	0.000	0.000	0.000
42	A	45	SER	0	-0.011	-0.016	15.757	0.030	0.030	0.000	0.000	0.000
43	A	46	HIS	0	0.007	-0.013	9.893	-0.005	-0.005	0.000	0.000	0.000
44	A	47	ILE	0	-0.041	-0.005	10.880	0.008	0.008	0.000	0.000	0.000
45	A	48	GLN	0	-0.064	-0.045	12.782	0.097	0.097	0.000	0.000	0.000
46	A	49	PHE	0	-0.046	-0.017	9.558	0.115	0.115	0.000	0.000	0.000
47	A	50	TYR	0	0.032	0.016	9.615	-0.036	-0.036	0.000	0.000	0.000
48	A	51	ASP	-1	-0.836	-0.929	4.824	3.668	3.689	-0.001	-0.008	-0.012
49	A	52	GLY	0	0.044	0.019	7.746	-0.102	-0.102	0.000	0.000	0.000
50	A	53	ILE	0	-0.044	0.008	9.807	-0.233	-0.233	0.000	0.000	0.000
51	A	54	LYS	1	0.904	0.926	11.980	-0.386	-0.386	0.000	0.000	0.000
52	A	55	THR	0	0.001	-0.027	13.822	-0.106	-0.106	0.000	0.000	0.000
53	A	56	SER	0	-0.039	-0.037	15.336	-0.064	-0.064	0.000	0.000	0.000
54	A	57	ASP	-1	-0.745	-0.835	16.551	0.414	0.414	0.000	0.000	0.000
55	A	58	ILE	0	0.011	0.039	11.854	-0.073	-0.073	0.000	0.000	0.000
56	A	59	HIS	0	0.004	0.000	15.782	-0.057	-0.057	0.000	0.000	0.000
57	A	60	GLU	-1	-0.817	-0.899	19.051	0.208	0.208	0.000	0.000	0.000
58	A	61	THR	0	-0.025	-0.012	15.796	-0.032	-0.032	0.000	0.000	0.000
59	A	62	ILE	0	-0.026	-0.025	16.145	-0.039	-0.039	0.000	0.000	0.000
60	A	63	ILE	0	-0.018	0.005	18.902	-0.023	-0.023	0.000	0.000	0.000
61	A	64	LYS	1	0.893	0.934	22.073	-0.073	-0.073	0.000	0.000	0.000
62	A	65	ALA	0	-0.017	0.001	19.516	-0.012	-0.012	0.000	0.000	0.000
63	A	66	ALA	0	0.030	0.008	21.611	-0.016	-0.016	0.000	0.000	0.000
64	A	67	ALA	0	0.014	0.004	23.889	-0.004	-0.004	0.000	0.000	0.000
65	A	68	ASP	-1	-0.868	-0.936	24.590	0.014	0.014	0.000	0.000	0.000
66	A	69	LEU	0	-0.074	-0.024	22.884	-0.006	-0.006	0.000	0.000	0.000
67	A	70	ILE	0	-0.068	-0.005	27.166	-0.006	-0.006	0.000	0.000	0.000
68	A	71	SER	0	-0.015	-0.012	30.526	0.005	0.005	0.000	0.000	0.000
69	A	72	ARG	1	0.929	0.949	33.422	0.032	0.032	0.000	0.000	0.000
70	A	73	ASP	-1	-0.909	-0.950	33.677	-0.060	-0.060	0.000	0.000	0.000
71	A	74	ALA	0	0.030	0.026	30.396	-0.005	-0.005	0.000	0.000	0.000
72	A	75	PRO	0	0.020	0.005	31.669	0.005	0.005	0.000	0.000	0.000
73	A	76	ASP	-1	-0.748	-0.882	31.290	-0.055	-0.055	0.000	0.000	0.000
74	A	77	TYR	0	0.039	0.024	24.732	-0.007	-0.007	0.000	0.000	0.000
75	A	78	GLN	0	-0.045	-0.011	28.630	0.013	0.013	0.000	0.000	0.000
76	A	79	TYR	0	0.047	0.001	30.939	0.012	0.012	0.000	0.000	0.000
77	A	80	LEU	0	0.007	0.024	23.430	0.008	0.008	0.000	0.000	0.000
78	A	81	ALA	0	0.024	-0.002	25.468	0.007	0.007	0.000	0.000	0.000
79	A	82	ALA	0	-0.024	-0.002	26.547	0.018	0.018	0.000	0.000	0.000
80	A	83	ARG	1	0.902	0.956	27.562	0.059	0.059	0.000	0.000	0.000
81	A	84	LEU	0	-0.002	-0.004	21.224	0.014	0.014	0.000	0.000	0.000
82	A	85	ALA	0	-0.015	-0.026	24.469	0.024	0.024	0.000	0.000	0.000
83	A	86	ILE	0	0.000	0.008	26.477	0.021	0.021	0.000	0.000	0.000
84	A	87	PHE	0	-0.003	-0.006	20.380	0.023	0.023	0.000	0.000	0.000
85	A	88	HIS	0	-0.062	-0.054	21.997	0.031	0.031	0.000	0.000	0.000
86	A	89	LEU	0	-0.005	-0.009	24.208	0.029	0.029	0.000	0.000	0.000
87	A	90	ARG	1	0.839	0.941	26.771	-0.056	-0.056	0.000	0.000	0.000
88	A	91	LYS	1	0.872	0.930	18.292	-0.266	-0.266	0.000	0.000	0.000
89	A	92	LYS	1	0.785	0.898	24.585	-0.192	-0.192	0.000	0.000	0.000
90	A	93	ALA	0	0.033	0.038	25.819	0.010	0.010	0.000	0.000	0.000
91	A	94	TYR	0	0.019	-0.016	27.955	0.002	0.002	0.000	0.000	0.000
92	A	95	GLY	0	-0.028	0.013	24.348	0.002	0.002	0.000	0.000	0.000
93	A	96	GLN	0	-0.111	-0.079	23.295	0.032	0.032	0.000	0.000	0.000
94	A	97	PHE	0	-0.007	-0.025	24.901	-0.003	-0.003	0.000	0.000	0.000
95	A	98	GLU	-1	-0.876	-0.943	26.467	0.047	0.047	0.000	0.000	0.000
96	A	99	PRO	0	-0.029	0.000	29.580	0.016	0.016	0.000	0.000	0.000
97	A	100	PRO	0	-0.024	0.003	31.785	-0.004	-0.004	0.000	0.000	0.000
98	A	101	ALA	0	0.065	0.034	33.954	-0.007	-0.007	0.000	0.000	0.000
99	A	102	LEU	0	-0.019	-0.015	37.548	0.007	0.007	0.000	0.000	0.000
100	A	103	TYR	0	0.001	-0.008	39.990	0.004	0.004	0.000	0.000	0.000
101	A	104	ASP	-1	-0.856	-0.932	37.215	0.096	0.096	0.000	0.000	0.000
102	A	105	HIS	0	-0.068	-0.036	35.830	0.012	0.012	0.000	0.000	0.000
103	A	106	VAL	0	0.008	-0.008	37.817	0.005	0.005	0.000	0.000	0.000
104	A	107	VAL	0	0.038	0.025	41.002	0.002	0.002	0.000	0.000	0.000
105	A	108	LYS	1	0.975	0.996	32.051	-0.159	-0.159	0.000	0.000	0.000
106	A	109	MET	0	-0.051	-0.033	37.349	0.010	0.010	0.000	0.000	0.000
107	A	110	VAL	0	-0.026	-0.002	39.726	0.001	0.001	0.000	0.000	0.000
108	A	111	GLU	-1	-0.951	-0.958	39.979	0.121	0.121	0.000	0.000	0.000
109	A	112	MET	0	-0.109	-0.055	34.471	0.006	0.006	0.000	0.000	0.000
110	A	113	GLY	0	-0.001	0.016	39.940	0.003	0.003	0.000	0.000	0.000
111	A	114	LYS	1	0.846	0.916	37.646	-0.136	-0.136	0.000	0.000	0.000
112	A	115	TYR	0	-0.029	-0.056	39.251	-0.004	-0.004	0.000	0.000	0.000
113	A	116	ASP	-1	-0.804	-0.896	43.580	0.071	0.071	0.000	0.000	0.000
114	A	117	ASN	0	0.002	-0.030	47.373	0.002	0.002	0.000	0.000	0.000
115	A	118	HIS	0	0.045	0.030	48.673	0.000	0.000	0.000	0.000	0.000
116	A	119	LEU	0	-0.016	-0.003	45.503	-0.003	-0.003	0.000	0.000	0.000
117	A	120	LEU	0	-0.019	-0.022	45.043	-0.002	-0.002	0.000	0.000	0.000
118	A	121	GLU	-1	-0.927	-0.939	49.024	0.060	0.060	0.000	0.000	0.000
119	A	122	ASP	-1	-0.839	-0.897	52.314	0.047	0.047	0.000	0.000	0.000
120	A	123	TYR	0	-0.110	-0.080	49.604	-0.005	-0.005	0.000	0.000	0.000
121	A	124	THR	0	0.045	0.025	50.498	0.002	0.002	0.000	0.000	0.000
122	A	125	GLU	-1	-0.812	-0.901	45.338	0.062	0.062	0.000	0.000	0.000
123	A	126	GLU	-1	-0.892	-0.954	46.902	0.048	0.048	0.000	0.000	0.000
124	A	127	GLU	-1	-0.747	-0.839	48.668	0.038	0.038	0.000	0.000	0.000
125	A	128	PHE	0	0.020	0.000	44.480	-0.001	-0.001	0.000	0.000	0.000
126	A	129	LYS	1	0.831	0.895	43.631	-0.052	-0.052	0.000	0.000	0.000
127	A	130	GLN	0	-0.012	0.002	44.707	-0.001	-0.001	0.000	0.000	0.000
128	A	131	MET	0	-0.015	-0.002	45.732	-0.003	-0.003	0.000	0.000	0.000
129	A	132	ASP	-1	-0.806	-0.910	39.903	0.057	0.057	0.000	0.000	0.000
130	A	133	THR	0	-0.119	-0.055	41.555	-0.003	-0.003	0.000	0.000	0.000
131	A	134	PHE	0	-0.061	-0.043	43.776	-0.005	-0.005	0.000	0.000	0.000
132	A	135	ILE	0	-0.039	-0.012	38.778	-0.003	-0.003	0.000	0.000	0.000
133	A	136	ASP	-1	-0.801	-0.902	38.159	0.006	0.006	0.000	0.000	0.000
134	A	137	HIS	0	0.051	-0.003	34.052	0.000	0.000	0.000	0.000	0.000
135	A	138	ASP	-1	-0.859	-0.930	33.084	0.006	0.006	0.000	0.000	0.000
136	A	139	ARG	1	0.833	0.910	34.972	-0.021	-0.021	0.000	0.000	0.000
137	A	140	ASP	-1	-0.816	-0.896	32.894	0.054	0.054	0.000	0.000	0.000
138	A	141	MET	0	-0.075	-0.027	30.568	0.005	0.005	0.000	0.000	0.000
139	A	142	THR	0	-0.047	-0.028	33.178	-0.008	-0.008	0.000	0.000	0.000
140	A	143	PHE	0	-0.021	0.003	34.091	-0.001	-0.001	0.000	0.000	0.000
141	A	144	SER	0	0.040	0.021	33.608	-0.003	-0.003	0.000	0.000	0.000
142	A	145	TYR	0	0.018	-0.017	27.680	0.010	0.010	0.000	0.000	0.000
143	A	146	ALA	0	-0.013	-0.010	31.878	0.010	0.010	0.000	0.000	0.000
144	A	147	ALA	0	-0.011	0.015	34.686	0.008	0.008	0.000	0.000	0.000
145	A	148	VAL	0	0.039	0.018	30.307	0.007	0.007	0.000	0.000	0.000
146	A	149	LYS	1	0.817	0.885	28.574	-0.097	-0.097	0.000	0.000	0.000
147	A	150	GLN	0	-0.006	0.000	33.203	0.013	0.013	0.000	0.000	0.000
148	A	151	LEU	0	0.013	0.013	35.316	0.005	0.005	0.000	0.000	0.000
149	A	152	GLU	-1	-0.827	-0.893	29.874	0.126	0.126	0.000	0.000	0.000
150	A	153	GLY	0	-0.027	0.004	34.038	0.009	0.009	0.000	0.000	0.000
151	A	154	LYS	1	0.745	0.842	36.270	-0.058	-0.058	0.000	0.000	0.000
152	A	155	TYR	0	-0.038	-0.023	38.582	-0.003	-0.003	0.000	0.000	0.000
153	A	156	LEU	0	0.026	0.032	33.780	-0.001	-0.001	0.000	0.000	0.000
154	A	157	VAL	0	0.016	0.013	37.360	0.006	0.006	0.000	0.000	0.000
155	A	158	GLN	0	-0.030	-0.027	34.157	0.012	0.012	0.000	0.000	0.000
156	A	159	ASN	0	-0.043	-0.027	33.632	-0.013	-0.013	0.000	0.000	0.000
157	A	160	ARG	1	0.849	0.909	34.584	-0.109	-0.109	0.000	0.000	0.000
158	A	161	VAL	0	0.026	0.017	34.434	0.002	0.002	0.000	0.000	0.000
159	A	162	THR	0	0.027	0.008	30.596	0.001	0.001	0.000	0.000	0.000
160	A	163	GLY	0	0.037	0.031	29.960	0.016	0.016	0.000	0.000	0.000
161	A	164	GLU	-1	-0.917	-0.931	29.243	0.214	0.214	0.000	0.000	0.000
162	A	165	ILE	0	-0.017	-0.019	29.887	-0.014	-0.014	0.000	0.000	0.000
163	A	166	TYR	0	-0.020	-0.043	30.916	0.003	0.003	0.000	0.000	0.000
164	A	167	GLU	-1	-0.721	-0.817	33.560	0.085	0.085	0.000	0.000	0.000
165	A	168	SER	0	0.024	0.023	32.733	0.005	0.005	0.000	0.000	0.000
166	A	169	ALA	0	0.029	-0.003	34.498	-0.002	-0.002	0.000	0.000	0.000
167	A	170	GLN	0	0.037	0.021	36.917	-0.004	-0.004	0.000	0.000	0.000
168	A	171	PHE	0	0.045	0.015	35.055	-0.004	-0.004	0.000	0.000	0.000
169	A	172	LEU	0	-0.020	0.010	39.233	-0.001	-0.001	0.000	0.000	0.000
170	A	173	TYR	0	-0.003	-0.018	40.262	-0.003	-0.003	0.000	0.000	0.000
171	A	174	ILE	0	0.001	0.008	42.009	-0.003	-0.003	0.000	0.000	0.000
172	A	175	LEU	0	0.030	0.020	41.774	-0.002	-0.002	0.000	0.000	0.000
173	A	176	VAL	0	-0.027	-0.007	45.037	-0.001	-0.001	0.000	0.000	0.000
174	A	177	ALA	0	-0.029	-0.012	47.152	-0.002	-0.002	0.000	0.000	0.000
175	A	178	ALA	0	0.011	-0.001	47.851	-0.002	-0.002	0.000	0.000	0.000
176	A	179	CYS	0	-0.021	0.004	49.057	0.000	0.000	0.000	0.000	0.000
177	A	180	LEU	0	-0.024	-0.002	50.861	-0.001	-0.001	0.000	0.000	0.000
178	A	181	PHE	0	-0.054	-0.027	52.802	-0.002	-0.002	0.000	0.000	0.000
179	A	182	SER	0	-0.028	-0.019	53.212	-0.002	-0.002	0.000	0.000	0.000
180	A	183	ASN	0	-0.001	-0.003	54.885	0.000	0.000	0.000	0.000	0.000
181	A	184	TYR	0	0.015	0.020	57.624	-0.003	-0.003	0.000	0.000	0.000
182	A	185	PRO	0	0.016	0.015	59.055	0.001	0.001	0.000	0.000	0.000
183	A	186	ARG	1	0.944	0.939	55.694	-0.037	-0.037	0.000	0.000	0.000
184	A	187	GLU	-1	-0.905	-0.944	58.547	0.023	0.023	0.000	0.000	0.000
185	A	188	THR	0	-0.032	-0.026	58.999	-0.001	-0.001	0.000	0.000	0.000
186	A	189	ARG	1	0.751	0.871	53.792	-0.040	-0.040	0.000	0.000	0.000
187	A	190	LEU	0	0.066	0.013	50.493	0.000	0.000	0.000	0.000	0.000
188	A	191	GLN	0	-0.003	0.005	52.231	0.000	0.000	0.000	0.000	0.000
189	A	192	TYR	0	-0.004	-0.014	53.771	-0.002	-0.002	0.000	0.000	0.000
190	A	193	VAL	0	0.002	0.014	48.754	-0.001	-0.001	0.000	0.000	0.000
191	A	194	LYS	1	0.886	0.941	47.010	-0.015	-0.015	0.000	0.000	0.000
192	A	195	ARG	1	0.960	0.976	49.106	-0.016	-0.016	0.000	0.000	0.000
193	A	196	PHE	0	0.029	0.009	48.778	-0.002	-0.002	0.000	0.000	0.000
194	A	197	TYR	0	0.029	-0.003	40.860	0.000	0.000	0.000	0.000	0.000
195	A	198	ASP	-1	-0.807	-0.861	45.833	0.015	0.015	0.000	0.000	0.000
196	A	199	ALA	0	0.003	0.023	46.566	-0.002	-0.002	0.000	0.000	0.000
197	A	200	VAL	0	-0.037	-0.017	45.192	-0.001	-0.001	0.000	0.000	0.000
198	A	201	SER	0	-0.037	-0.028	41.709	-0.002	-0.002	0.000	0.000	0.000
199	A	202	THR	0	-0.061	-0.037	41.900	-0.003	-0.003	0.000	0.000	0.000
200	A	203	PHE	0	-0.053	-0.028	38.901	-0.004	-0.004	0.000	0.000	0.000
201	A	204	LYS	1	0.907	0.938	45.135	-0.002	-0.002	0.000	0.000	0.000
202	A	205	ILE	0	0.008	0.008	48.522	-0.001	-0.001	0.000	0.000	0.000
203	A	206	SER	0	-0.020	-0.011	46.798	0.003	0.003	0.000	0.000	0.000
204	A	207	LEU	0	0.046	0.011	47.478	0.000	0.000	0.000	0.000	0.000
205	A	208	PRO	0	0.009	0.003	47.499	0.002	0.002	0.000	0.000	0.000
206	A	209	THR	0	0.021	-0.013	44.004	0.001	0.001	0.000	0.000	0.000
207	A	210	PRO	0	0.021	0.023	46.109	0.003	0.003	0.000	0.000	0.000
208	A	211	ILE	0	0.069	0.048	47.898	0.003	0.003	0.000	0.000	0.000
209	A	212	MET	0	-0.029	-0.004	43.810	0.002	0.002	0.000	0.000	0.000
210	A	213	SER	0	-0.059	-0.027	42.738	0.004	0.004	0.000	0.000	0.000
211	A	214	GLY	0	0.017	0.018	43.556	0.005	0.005	0.000	0.000	0.000
212	A	215	VAL	0	-0.002	0.015	46.311	0.002	0.002	0.000	0.000	0.000
213	A	216	ARG	1	0.905	0.926	40.830	-0.073	-0.073	0.000	0.000	0.000
214	A	217	THR	0	-0.085	-0.034	43.118	0.005	0.005	0.000	0.000	0.000
215	A	218	PRO	0	0.043	0.007	45.108	-0.004	-0.004	0.000	0.000	0.000
216	A	219	THR	0	-0.075	-0.010	47.747	-0.003	-0.003	0.000	0.000	0.000
217	A	220	ARG	1	0.909	0.934	49.684	-0.063	-0.063	0.000	0.000	0.000
218	A	221	GLN	0	-0.030	-0.005	51.324	-0.003	-0.003	0.000	0.000	0.000
219	A	222	PHE	0	0.019	0.002	49.097	0.002	0.002	0.000	0.000	0.000
220	A	223	SER	0	-0.003	0.006	52.966	-0.003	-0.003	0.000	0.000	0.000
221	A	224	SER	0	-0.008	-0.018	52.687	0.002	0.002	0.000	0.000	0.000
222	A	225	CYS	0	-0.067	-0.027	54.687	-0.001	-0.001	0.000	0.000	0.000
223	A	226	VAL	0	0.028	0.030	57.856	-0.001	-0.001	0.000	0.000	0.000
224	A	227	LEU	0	-0.026	-0.014	61.112	0.000	0.000	0.000	0.000	0.000
225	A	228	ILE	0	0.009	-0.003	63.514	0.000	0.000	0.000	0.000	0.000
226	A	229	GLU	-1	-0.734	-0.842	66.939	0.023	0.023	0.000	0.000	0.000
227	A	230	CYS	0	-0.076	-0.028	70.226	0.001	0.001	0.000	0.000	0.000
228	A	231	GLY	0	0.051	0.015	71.932	-0.001	-0.001	0.000	0.000	0.000
229	A	232	ASP	-1	-0.799	-0.889	75.387	0.025	0.025	0.000	0.000	0.000
230	A	233	SER	0	0.021	-0.013	76.766	0.000	0.000	0.000	0.000	0.000
231	A	234	LEU	0	-0.005	-0.013	75.454	0.001	0.001	0.000	0.000	0.000
232	A	235	ASP	-1	-0.873	-0.916	74.409	0.033	0.033	0.000	0.000	0.000
233	A	236	SER	0	-0.019	-0.014	73.620	0.001	0.001	0.000	0.000	0.000
234	A	237	ILE	0	-0.039	-0.015	70.812	0.001	0.001	0.000	0.000	0.000
235	A	238	ASN	0	0.025	0.005	69.869	0.002	0.002	0.000	0.000	0.000
236	A	239	ALA	0	0.013	0.031	68.870	0.002	0.002	0.000	0.000	0.000
237	A	240	THR	0	-0.002	-0.015	67.078	0.001	0.001	0.000	0.000	0.000
238	A	241	SER	0	-0.025	-0.030	65.483	0.002	0.002	0.000	0.000	0.000
239	A	242	SER	0	-0.025	-0.027	64.090	0.002	0.002	0.000	0.000	0.000
240	A	243	ALA	0	0.003	-0.003	63.402	0.002	0.002	0.000	0.000	0.000
241	A	244	ILE	0	-0.007	-0.001	60.584	0.001	0.001	0.000	0.000	0.000
242	A	245	VAL	0	-0.010	0.008	59.149	0.002	0.002	0.000	0.000	0.000
243	A	246	LYS	1	0.962	0.980	58.237	-0.050	-0.050	0.000	0.000	0.000
244	A	247	TYR	0	0.098	0.051	57.559	0.002	0.002	0.000	0.000	0.000
245	A	248	VAL	0	-0.056	-0.025	55.498	0.001	0.001	0.000	0.000	0.000
246	A	249	SER	0	-0.075	-0.045	53.859	0.003	0.003	0.000	0.000	0.000
247	A	250	GLN	0	-0.023	-0.004	52.244	0.002	0.002	0.000	0.000	0.000
248	A	251	ARG	1	0.848	0.917	45.195	-0.071	-0.071	0.000	0.000	0.000
249	A	252	ALA	0	0.022	0.031	52.117	-0.001	-0.001	0.000	0.000	0.000
250	A	253	GLY	0	-0.055	-0.018	54.985	0.001	0.001	0.000	0.000	0.000
251	A	254	ILE	0	-0.016	-0.020	56.114	-0.001	-0.001	0.000	0.000	0.000
252	A	255	GLY	0	-0.001	0.013	59.849	-0.001	-0.001	0.000	0.000	0.000
253	A	256	ILE	0	0.006	0.000	62.686	0.000	0.000	0.000	0.000	0.000
254	A	257	ASN	0	0.053	0.024	65.646	-0.001	-0.001	0.000	0.000	0.000
255	A	258	ALA	0	0.036	0.011	69.152	0.001	0.001	0.000	0.000	0.000
256	A	259	GLY	0	0.000	-0.008	70.976	0.000	0.000	0.000	0.000	0.000
257	A	260	ARG	1	0.740	0.861	73.641	-0.023	-0.023	0.000	0.000	0.000
258	A	261	ILE	0	-0.020	0.005	72.190	0.000	0.000	0.000	0.000	0.000
259	A	262	ARG	1	0.780	0.873	76.198	-0.025	-0.025	0.000	0.000	0.000
260	A	263	ALA	0	0.003	-0.003	78.095	0.001	0.001	0.000	0.000	0.000
261	A	264	LEU	0	-0.006	-0.014	77.515	0.000	0.000	0.000	0.000	0.000
262	A	265	GLY	0	-0.017	-0.006	79.645	-0.001	-0.001	0.000	0.000	0.000
263	A	266	SER	0	0.011	0.016	82.582	-0.001	-0.001	0.000	0.000	0.000
264	A	267	PRO	0	0.010	0.008	84.387	0.001	0.001	0.000	0.000	0.000
265	A	268	ILE	0	0.012	-0.003	84.500	0.001	0.001	0.000	0.000	0.000
266	A	269	ARG	1	0.899	0.963	84.011	-0.022	-0.022	0.000	0.000	0.000
267	A	270	GLY	0	0.045	0.014	86.073	-0.001	-0.001	0.000	0.000	0.000
268	A	271	GLY	0	-0.007	0.000	84.884	0.000	0.000	0.000	0.000	0.000
269	A	272	GLU	-1	-0.805	-0.903	79.480	0.029	0.029	0.000	0.000	0.000
270	A	273	ALA	0	-0.012	-0.015	79.443	-0.001	-0.001	0.000	0.000	0.000
271	A	274	PHE	0	0.050	0.018	76.650	0.001	0.001	0.000	0.000	0.000
272	A	275	HIS	0	-0.061	-0.025	79.855	0.000	0.000	0.000	0.000	0.000
273	A	276	THR	0	0.030	0.005	76.520	-0.001	-0.001	0.000	0.000	0.000
274	A	277	GLY	0	0.011	0.025	76.504	0.000	0.000	0.000	0.000	0.000
275	A	278	CYS	0	-0.043	-0.014	72.536	0.001	0.001	0.000	0.000	0.000
276	A	279	ILE	0	0.026	0.015	68.857	0.001	0.001	0.000	0.000	0.000
277	A	280	PRO	0	-0.016	-0.015	69.225	0.001	0.001	0.000	0.000	0.000
278	A	281	PHE	0	0.039	0.023	69.419	0.002	0.002	0.000	0.000	0.000
279	A	282	TYR	0	0.033	0.005	66.874	0.001	0.001	0.000	0.000	0.000
280	A	283	LYS	1	0.818	0.897	63.550	-0.036	-0.036	0.000	0.000	0.000
281	A	284	HIS	0	0.018	0.032	64.212	0.002	0.002	0.000	0.000	0.000
282	A	285	PHE	0	0.051	0.013	64.573	0.002	0.002	0.000	0.000	0.000
283	A	286	GLN	0	0.032	0.012	59.804	0.000	0.000	0.000	0.000	0.000
284	A	287	THR	0	-0.054	-0.037	59.815	0.002	0.002	0.000	0.000	0.000
285	A	288	ALA	0	0.030	0.032	59.837	0.002	0.002	0.000	0.000	0.000
286	A	289	VAL	0	-0.004	-0.003	56.996	0.002	0.002	0.000	0.000	0.000
287	A	290	LYS	1	0.787	0.884	53.611	-0.047	-0.047	0.000	0.000	0.000
288	A	291	SER	0	-0.017	-0.003	55.214	0.003	0.003	0.000	0.000	0.000
289	A	292	CYS	0	-0.026	0.005	52.966	0.003	0.003	0.000	0.000	0.000
290	A	293	SER	0	-0.018	-0.028	50.267	0.002	0.002	0.000	0.000	0.000
291	A	294	GLN	0	-0.101	-0.068	45.325	-0.004	-0.004	0.000	0.000	0.000
292	A	295	GLY	0	0.097	0.067	48.501	0.003	0.003	0.000	0.000	0.000
293	A	296	GLY	0	0.016	0.017	50.863	-0.003	-0.003	0.000	0.000	0.000
294	A	297	VAL	0	-0.005	-0.003	49.682	-0.003	-0.003	0.000	0.000	0.000
295	A	298	ARG	1	0.920	0.951	43.655	-0.080	-0.080	0.000	0.000	0.000
296	A	299	GLY	0	0.009	0.005	49.129	0.004	0.004	0.000	0.000	0.000
297	A	300	GLY	0	0.097	0.067	50.048	0.000	0.000	0.000	0.000	0.000
298	A	301	ALA	0	-0.033	-0.019	53.428	-0.001	-0.001	0.000	0.000	0.000
299	A	302	ALA	0	0.068	0.021	55.354	0.000	0.000	0.000	0.000	0.000
300	A	303	THR	0	-0.009	0.006	58.939	0.000	0.000	0.000	0.000	0.000
301	A	304	LEU	0	-0.036	-0.003	61.387	0.000	0.000	0.000	0.000	0.000
302	A	305	PHE	0	0.000	-0.008	63.582	-0.001	-0.001	0.000	0.000	0.000
303	A	306	TYR	0	0.026	0.002	67.979	0.000	0.000	0.000	0.000	0.000
304	A	307	PRO	0	0.031	0.027	71.495	-0.001	-0.001	0.000	0.000	0.000
305	A	308	MET	0	-0.003	-0.007	73.497	0.000	0.000	0.000	0.000	0.000
306	A	309	TRP	0	0.020	0.002	74.859	0.000	0.000	0.000	0.000	0.000
307	A	310	HIS	0	0.022	0.016	75.659	-0.001	-0.001	0.000	0.000	0.000
308	A	311	LEU	0	0.011	-0.003	77.711	0.000	0.000	0.000	0.000	0.000
309	A	312	GLU	-1	-0.746	-0.877	74.979	0.024	0.024	0.000	0.000	0.000
310	A	313	VAL	0	-0.012	0.000	73.022	0.001	0.001	0.000	0.000	0.000
311	A	314	GLU	-1	-0.886	-0.945	72.668	0.017	0.017	0.000	0.000	0.000
312	A	315	SER	0	-0.024	-0.024	72.368	0.000	0.000	0.000	0.000	0.000
313	A	316	LEU	0	-0.041	-0.020	69.974	0.001	0.001	0.000	0.000	0.000
314	A	317	LEU	0	0.000	-0.007	68.266	0.001	0.001	0.000	0.000	0.000
315	A	318	VAL	0	-0.013	0.005	66.901	0.000	0.000	0.000	0.000	0.000
316	A	319	LEU	0	-0.061	-0.010	65.291	0.001	0.001	0.000	0.000	0.000
317	A	320	LYS	1	0.832	0.883	57.730	-0.030	-0.030	0.000	0.000	0.000
318	A	321	ASN	0	-0.039	-0.014	60.961	0.002	0.002	0.000	0.000	0.000
319	A	322	ASN	0	-0.009	-0.014	57.612	-0.001	-0.001	0.000	0.000	0.000
320	A	323	ARG	1	0.956	0.971	61.670	-0.021	-0.021	0.000	0.000	0.000
321	A	324	GLY	0	0.025	0.024	64.660	-0.001	-0.001	0.000	0.000	0.000
322	A	325	VAL	0	0.045	0.030	66.420	0.001	0.001	0.000	0.000	0.000
323	A	326	GLU	-1	-0.734	-0.856	63.004	0.037	0.037	0.000	0.000	0.000
324	A	327	GLY	0	-0.028	-0.015	66.315	0.001	0.001	0.000	0.000	0.000
325	A	328	ASN	0	-0.031	-0.018	68.536	-0.001	-0.001	0.000	0.000	0.000
326	A	329	ARG	1	0.838	0.932	63.644	-0.027	-0.027	0.000	0.000	0.000
327	A	330	VAL	0	0.012	0.017	62.965	0.002	0.002	0.000	0.000	0.000
328	A	331	ARG	1	0.907	0.944	58.470	-0.039	-0.039	0.000	0.000	0.000
329	A	332	HIS	0	-0.068	-0.037	55.063	-0.001	-0.001	0.000	0.000	0.000
330	A	333	MET	0	0.034	0.030	57.935	0.002	0.002	0.000	0.000	0.000
331	A	334	ASP	-1	-0.761	-0.827	57.210	0.030	0.030	0.000	0.000	0.000
332	A	335	TYR	0	0.034	-0.007	60.425	0.001	0.001	0.000	0.000	0.000
333	A	336	GLY	0	0.025	0.026	63.789	-0.001	-0.001	0.000	0.000	0.000
334	A	337	VAL	0	-0.003	-0.003	65.888	0.000	0.000	0.000	0.000	0.000
335	A	338	GLN	0	-0.057	-0.038	69.263	-0.001	-0.001	0.000	0.000	0.000
336	A	339	ILE	0	-0.019	-0.019	70.926	0.000	0.000	0.000	0.000	0.000
337	A	340	ASN	0	0.027	0.005	73.957	0.000	0.000	0.000	0.000	0.000
338	A	341	LYS	1	1.039	1.006	76.619	-0.008	-0.008	0.000	0.000	0.000
339	A	342	LEU	0	0.017	0.031	78.875	-0.001	-0.001	0.000	0.000	0.000
340	A	343	MET	0	0.007	0.007	77.133	0.000	0.000	0.000	0.000	0.000
341	A	344	TYR	0	0.030	-0.017	71.585	0.000	0.000	0.000	0.000	0.000
342	A	345	THR	0	-0.058	-0.037	77.860	-0.001	-0.001	0.000	0.000	0.000
343	A	346	ARG	1	0.795	0.869	81.272	-0.011	-0.011	0.000	0.000	0.000
344	A	347	LEU	0	-0.026	-0.003	75.047	0.000	0.000	0.000	0.000	0.000
345	A	348	LEU	0	-0.056	-0.030	77.790	-0.001	-0.001	0.000	0.000	0.000
346	A	349	LYS	1	0.793	0.887	80.788	-0.008	-0.008	0.000	0.000	0.000
347	A	350	GLY	0	-0.016	0.007	82.445	0.000	0.000	0.000	0.000	0.000
348	A	351	GLU	-1	-0.854	-0.912	83.451	0.008	0.008	0.000	0.000	0.000
349	A	352	ASP	-1	-0.835	-0.939	83.279	0.011	0.011	0.000	0.000	0.000
350	A	353	ILE	0	-0.054	-0.025	78.623	0.000	0.000	0.000	0.000	0.000
351	A	354	THR	0	-0.048	-0.042	82.505	0.000	0.000	0.000	0.000	0.000
352	A	355	LEU	0	-0.022	0.011	78.759	0.000	0.000	0.000	0.000	0.000
353	A	356	PHE	0	0.041	-0.002	81.499	0.000	0.000	0.000	0.000	0.000
354	A	357	SER	0	0.018	0.010	80.843	0.001	0.001	0.000	0.000	0.000
355	A	358	PRO	0	0.027	0.012	78.276	-0.001	-0.001	0.000	0.000	0.000
356	A	359	SER	0	-0.035	-0.035	81.541	0.000	0.000	0.000	0.000	0.000
357	A	360	ASP	-1	-0.899	-0.943	83.660	0.019	0.019	0.000	0.000	0.000
358	A	361	VAL	0	-0.032	0.000	83.983	-0.001	-0.001	0.000	0.000	0.000
359	A	362	PRO	0	0.044	0.019	85.645	0.000	0.000	0.000	0.000	0.000
360	A	363	GLY	0	0.038	0.022	85.471	-0.001	-0.001	0.000	0.000	0.000
361	A	364	LEU	0	-0.025	0.001	82.216	0.000	0.000	0.000	0.000	0.000
362	A	365	TYR	0	0.021	-0.003	74.142	0.000	0.000	0.000	0.000	0.000
363	A	366	ASP	-1	-0.779	-0.894	79.405	0.020	0.020	0.000	0.000	0.000
364	A	367	ALA	0	0.045	0.035	80.507	0.000	0.000	0.000	0.000	0.000
365	A	368	PHE	0	-0.049	-0.021	75.066	0.000	0.000	0.000	0.000	0.000
366	A	369	PHE	0	-0.036	-0.018	73.111	0.000	0.000	0.000	0.000	0.000
367	A	370	ALA	0	-0.004	-0.008	77.499	0.000	0.000	0.000	0.000	0.000
368	A	371	ASP	-1	-0.862	-0.923	79.911	0.011	0.011	0.000	0.000	0.000
369	A	372	GLN	0	0.042	0.003	78.805	0.000	0.000	0.000	0.000	0.000
370	A	373	GLU	-1	-0.894	-0.943	82.820	0.010	0.010	0.000	0.000	0.000
371	A	374	GLU	-1	-0.769	-0.842	86.036	0.012	0.012	0.000	0.000	0.000
372	A	375	PHE	0	-0.029	-0.015	81.246	0.000	0.000	0.000	0.000	0.000
373	A	376	GLU	-1	-0.921	-0.959	84.923	0.009	0.009	0.000	0.000	0.000
374	A	377	ARG	1	0.804	0.870	86.830	-0.012	-0.012	0.000	0.000	0.000
375	A	378	LEU	0	-0.042	-0.023	86.624	0.000	0.000	0.000	0.000	0.000
376	A	379	TYR	0	-0.011	-0.012	82.728	0.000	0.000	0.000	0.000	0.000
377	A	380	THR	0	-0.021	-0.021	87.195	0.000	0.000	0.000	0.000	0.000
378	A	381	LYS	1	0.979	1.005	90.058	-0.013	-0.013	0.000	0.000	0.000
379	A	382	TYR	0	-0.016	-0.045	87.731	0.000	0.000	0.000	0.000	0.000
380	A	383	GLU	-1	-0.810	-0.863	86.973	0.011	0.011	0.000	0.000	0.000
381	A	384	LYS	1	0.791	0.893	90.223	-0.011	-0.011	0.000	0.000	0.000
382	A	385	ASP	-1	-0.856	-0.899	93.143	0.013	0.013	0.000	0.000	0.000
383	A	386	ASP	-1	-0.844	-0.923	93.163	0.012	0.012	0.000	0.000	0.000
384	A	387	SER	0	-0.128	-0.059	94.230	0.000	0.000	0.000	0.000	0.000
385	A	388	ILE	0	-0.023	0.005	88.759	0.001	0.001	0.000	0.000	0.000
386	A	389	ARG	1	0.857	0.926	82.778	-0.020	-0.020	0.000	0.000	0.000
387	A	390	LYS	1	0.812	0.887	85.739	-0.014	-0.014	0.000	0.000	0.000
388	A	391	GLN	0	-0.019	-0.006	80.761	0.000	0.000	0.000	0.000	0.000
389	A	392	ARG	1	0.869	0.937	83.944	-0.012	-0.012	0.000	0.000	0.000
390	A	393	VAL	0	0.048	0.034	79.203	0.000	0.000	0.000	0.000	0.000
391	A	394	LYS	1	0.906	0.943	80.871	-0.011	-0.011	0.000	0.000	0.000
392	A	395	ALA	0	0.027	0.017	79.337	0.001	0.001	0.000	0.000	0.000
393	A	396	VAL	0	0.052	0.005	76.837	0.000	0.000	0.000	0.000	0.000
394	A	397	GLU	-1	-0.830	-0.890	75.734	0.011	0.011	0.000	0.000	0.000
395	A	398	LEU	0	0.021	0.023	74.666	0.001	0.001	0.000	0.000	0.000
396	A	399	PHE	0	0.014	-0.010	72.416	0.001	0.001	0.000	0.000	0.000
397	A	400	SER	0	-0.025	-0.032	71.383	0.000	0.000	0.000	0.000	0.000
398	A	401	LEU	0	-0.012	0.011	70.188	0.000	0.000	0.000	0.000	0.000
399	A	402	MET	0	0.029	0.012	68.323	0.001	0.001	0.000	0.000	0.000
400	A	403	MET	0	-0.010	0.000	66.073	0.001	0.001	0.000	0.000	0.000
401	A	404	GLN	0	-0.072	-0.035	65.521	-0.001	-0.001	0.000	0.000	0.000
402	A	405	GLU	-1	-0.762	-0.870	64.545	0.021	0.021	0.000	0.000	0.000
403	A	406	ARG	1	0.793	0.891	61.076	-0.014	-0.014	0.000	0.000	0.000
404	A	407	ALA	0	-0.044	-0.021	61.131	0.000	0.000	0.000	0.000	0.000
405	A	408	SER	0	-0.044	-0.016	59.909	0.001	0.001	0.000	0.000	0.000
406	A	409	THR	0	-0.042	-0.029	58.323	0.002	0.002	0.000	0.000	0.000
407	A	410	GLY	0	0.029	0.023	57.101	0.001	0.001	0.000	0.000	0.000
408	A	411	ARG	1	0.768	0.853	52.686	-0.031	-0.031	0.000	0.000	0.000
409	A	412	ILE	0	0.005	0.016	59.432	0.001	0.001	0.000	0.000	0.000
410	A	413	TYR	0	-0.026	-0.042	57.621	-0.002	-0.002	0.000	0.000	0.000
411	A	414	ILE	0	-0.009	0.010	63.818	0.000	0.000	0.000	0.000	0.000
412	A	415	GLN	0	0.020	-0.006	66.167	0.001	0.001	0.000	0.000	0.000
413	A	416	ASN	0	0.001	0.002	68.466	0.000	0.000	0.000	0.000	0.000
414	A	417	VAL	0	0.051	0.015	71.346	0.000	0.000	0.000	0.000	0.000
415	A	418	ASP	-1	-0.701	-0.817	73.123	0.012	0.012	0.000	0.000	0.000
416	A	419	HIS	0	-0.061	-0.031	71.368	0.000	0.000	0.000	0.000	0.000
417	A	420	CYS	0	-0.093	-0.050	69.833	0.000	0.000	0.000	0.000	0.000
418	A	421	ASN	0	-0.022	-0.028	71.719	0.001	0.001	0.000	0.000	0.000
419	A	422	THR	0	-0.029	-0.008	74.999	0.000	0.000	0.000	0.000	0.000
420	A	423	HIS	0	-0.026	0.019	69.664	-0.001	-0.001	0.000	0.000	0.000
421	A	424	SER	0	-0.002	-0.012	71.384	0.001	0.001	0.000	0.000	0.000
422	A	425	PRO	0	0.037	0.046	68.705	-0.001	-0.001	0.000	0.000	0.000
423	A	426	PHE	0	0.010	0.000	68.915	0.001	0.001	0.000	0.000	0.000
424	A	427	ASP	-1	-0.747	-0.852	74.234	0.014	0.014	0.000	0.000	0.000
425	A	428	PRO	0	-0.014	-0.003	77.336	0.001	0.001	0.000	0.000	0.000
426	A	429	ALA	0	-0.013	-0.009	78.367	0.000	0.000	0.000	0.000	0.000
427	A	430	ILE	0	-0.074	-0.029	78.746	0.000	0.000	0.000	0.000	0.000
428	A	431	ALA	0	-0.016	-0.019	74.485	0.001	0.001	0.000	0.000	0.000
429	A	432	PRO	0	0.003	0.015	74.728	0.000	0.000	0.000	0.000	0.000
430	A	433	VAL	0	0.005	0.012	69.385	0.001	0.001	0.000	0.000	0.000
431	A	434	ARG	1	0.854	0.903	71.444	-0.022	-0.022	0.000	0.000	0.000
432	A	435	GLN	0	-0.039	-0.030	65.677	0.001	0.001	0.000	0.000	0.000
433	A	436	SER	0	-0.001	-0.001	63.843	-0.001	-0.001	0.000	0.000	0.000
434	A	437	ASN	0	0.032	-0.013	58.474	0.000	0.000	0.000	0.000	0.000
435	A	438	LEU	0	-0.032	-0.019	54.387	0.000	0.000	0.000	0.000	0.000
436	A	439	CYS	0	-0.050	-0.039	55.155	0.000	0.000	0.000	0.000	0.000
437	A	440	LEU	0	0.000	0.023	57.812	-0.002	-0.002	0.000	0.000	0.000
438	A	441	GLU	-1	-0.769	-0.861	57.186	0.025	0.025	0.000	0.000	0.000
439	A	442	ILE	0	-0.044	-0.028	59.272	-0.001	-0.001	0.000	0.000	0.000
440	A	443	ALA	0	-0.017	-0.007	62.434	0.000	0.000	0.000	0.000	0.000
441	A	444	LEU	0	0.003	0.001	63.948	-0.001	-0.001	0.000	0.000	0.000
442	A	445	PRO	0	-0.018	0.013	67.965	0.000	0.000	0.000	0.000	0.000
443	A	446	THR	0	-0.026	-0.011	68.452	0.001	0.001	0.000	0.000	0.000
444	A	447	LYS	1	0.868	0.927	71.162	-0.026	-0.026	0.000	0.000	0.000
445	A	448	PRO	0	-0.008	0.005	72.464	0.001	0.001	0.000	0.000	0.000
446	A	449	LEU	0	-0.032	0.007	68.954	0.000	0.000	0.000	0.000	0.000
447	A	450	ASN	0	-0.076	-0.054	73.288	-0.001	-0.001	0.000	0.000	0.000
448	A	451	ASP	-1	-0.740	-0.888	72.347	0.038	0.038	0.000	0.000	0.000
449	A	452	VAL	0	-0.049	-0.036	66.116	0.000	0.000	0.000	0.000	0.000
450	A	453	ASN	0	-0.085	-0.058	68.395	0.002	0.002	0.000	0.000	0.000
451	A	454	ASP	-1	-0.789	-0.868	70.341	0.029	0.029	0.000	0.000	0.000
452	A	455	GLU	-1	-0.864	-0.943	71.468	0.034	0.034	0.000	0.000	0.000
453	A	456	ASN	0	-0.061	-0.039	73.627	-0.002	-0.002	0.000	0.000	0.000
454	A	457	GLY	0	0.018	0.020	72.518	-0.001	-0.001	0.000	0.000	0.000
455	A	458	GLU	-1	-0.894	-0.943	70.110	0.025	0.025	0.000	0.000	0.000
456	A	459	ILE	0	-0.035	-0.010	64.502	0.000	0.000	0.000	0.000	0.000
457	A	460	ALA	0	0.062	0.031	65.594	0.000	0.000	0.000	0.000	0.000
458	A	461	LEU	0	-0.006	-0.007	60.464	0.002	0.002	0.000	0.000	0.000
459	A	462	CYS	0	-0.030	0.007	60.002	-0.002	-0.002	0.000	0.000	0.000
460	A	463	THR	0	0.037	0.036	55.752	0.003	0.003	0.000	0.000	0.000
461	A	464	LEU	0	0.011	0.001	54.089	-0.002	-0.002	0.000	0.000	0.000
462	A	465	SER	0	0.004	-0.021	52.505	0.002	0.002	0.000	0.000	0.000
463	A	466	ALA	0	-0.023	0.014	51.023	-0.002	-0.002	0.000	0.000	0.000
464	A	467	PHE	0	0.072	0.041	51.577	0.001	0.001	0.000	0.000	0.000
465	A	468	ASN	0	-0.010	-0.010	45.697	-0.003	-0.003	0.000	0.000	0.000
466	A	469	LEU	0	0.053	0.015	50.062	-0.002	-0.002	0.000	0.000	0.000
467	A	470	GLY	0	-0.050	-0.030	48.219	-0.002	-0.002	0.000	0.000	0.000
468	A	471	ALA	0	-0.008	-0.008	46.824	-0.003	-0.003	0.000	0.000	0.000
469	A	472	ILE	0	-0.024	0.009	48.292	0.000	0.000	0.000	0.000	0.000
470	A	473	ASN	0	-0.086	-0.057	50.033	-0.004	-0.004	0.000	0.000	0.000
471	A	474	ASN	0	-0.009	-0.015	52.982	-0.001	-0.001	0.000	0.000	0.000
472	A	475	LEU	0	0.018	-0.001	56.617	0.001	0.001	0.000	0.000	0.000
473	A	476	ASP	-1	-0.770	-0.848	58.943	-0.001	-0.001	0.000	0.000	0.000
474	A	477	GLU	-1	-0.744	-0.846	52.605	-0.003	-0.003	0.000	0.000	0.000
475	A	478	LEU	0	-0.064	-0.044	56.002	0.002	0.002	0.000	0.000	0.000
476	A	479	GLU	-1	-0.805	-0.863	58.045	0.008	0.008	0.000	0.000	0.000
477	A	480	GLU	-1	-0.898	-0.966	56.054	0.006	0.006	0.000	0.000	0.000
478	A	481	LEU	0	-0.042	-0.033	52.152	0.003	0.003	0.000	0.000	0.000
479	A	482	ALA	0	0.030	0.020	55.791	0.003	0.003	0.000	0.000	0.000
480	A	483	ILE	0	0.009	0.005	58.891	0.002	0.002	0.000	0.000	0.000
481	A	484	LEU	0	-0.056	-0.021	53.397	0.002	0.002	0.000	0.000	0.000
482	A	485	ALA	0	0.002	-0.007	55.035	0.003	0.003	0.000	0.000	0.000
483	A	486	VAL	0	0.012	0.004	55.956	0.002	0.002	0.000	0.000	0.000
484	A	487	ARG	1	0.819	0.874	58.329	-0.019	-0.019	0.000	0.000	0.000
485	A	488	ALA	0	-0.008	0.009	53.647	0.002	0.002	0.000	0.000	0.000
486	A	489	LEU	0	-0.038	-0.031	54.062	0.003	0.003	0.000	0.000	0.000
487	A	490	ASP	-1	-0.732	-0.845	57.021	0.028	0.028	0.000	0.000	0.000
488	A	491	ALA	0	0.039	0.026	56.873	0.001	0.001	0.000	0.000	0.000
489	A	492	LEU	0	-0.021	-0.015	53.248	0.002	0.002	0.000	0.000	0.000
490	A	493	LEU	0	-0.043	-0.001	56.630	0.002	0.002	0.000	0.000	0.000
491	A	494	ASP	-1	-0.784	-0.844	59.966	0.034	0.034	0.000	0.000	0.000
492	A	495	TYR	0	-0.083	-0.043	51.339	0.002	0.002	0.000	0.000	0.000
493	A	496	GLN	0	-0.029	-0.014	55.740	0.004	0.004	0.000	0.000	0.000
494	A	497	ASP	-1	-0.899	-0.947	55.682	0.055	0.055	0.000	0.000	0.000
495	A	498	TYR	0	-0.082	-0.089	58.185	-0.002	-0.002	0.000	0.000	0.000
496	A	499	PRO	0	-0.051	-0.012	58.831	0.000	0.000	0.000	0.000	0.000
497	A	500	ILE	0	-0.029	-0.009	61.344	0.000	0.000	0.000	0.000	0.000
498	A	501	PRO	0	0.100	0.045	64.711	-0.001	-0.001	0.000	0.000	0.000
499	A	502	ALA	0	0.063	0.027	67.578	-0.001	-0.001	0.000	0.000	0.000
500	A	503	ALA	0	-0.016	-0.002	63.645	-0.001	-0.001	0.000	0.000	0.000
501	A	504	LYS	1	0.978	0.992	64.226	-0.039	-0.039	0.000	0.000	0.000
502	A	505	ARG	1	0.872	0.941	65.755	-0.029	-0.029	0.000	0.000	0.000
503	A	506	GLY	0	0.052	0.042	67.514	-0.001	-0.001	0.000	0.000	0.000
504	A	507	ALA	0	-0.048	-0.023	63.312	-0.001	-0.001	0.000	0.000	0.000
505	A	508	MET	0	-0.018	-0.022	63.402	-0.001	-0.001	0.000	0.000	0.000
506	A	509	GLY	0	0.032	0.032	67.280	-0.001	-0.001	0.000	0.000	0.000
507	A	510	ARG	1	0.788	0.873	68.246	-0.024	-0.024	0.000	0.000	0.000
508	A	511	ARG	1	0.774	0.843	63.181	-0.031	-0.031	0.000	0.000	0.000
509	A	512	THR	0	-0.012	-0.001	64.152	-0.001	-0.001	0.000	0.000	0.000
510	A	513	LEU	0	0.006	0.004	59.353	0.002	0.002	0.000	0.000	0.000
511	A	514	GLY	0	0.038	-0.006	59.250	-0.001	-0.001	0.000	0.000	0.000
512	A	515	ILE	0	-0.069	-0.031	55.818	0.002	0.002	0.000	0.000	0.000
513	A	516	GLY	0	0.052	0.005	55.639	-0.002	-0.002	0.000	0.000	0.000
514	A	517	VAL	0	-0.023	-0.016	53.602	-0.001	-0.001	0.000	0.000	0.000
515	A	518	ILE	0	-0.028	-0.014	46.738	0.002	0.002	0.000	0.000	0.000
516	A	519	ASN	0	-0.010	-0.021	45.698	-0.003	-0.003	0.000	0.000	0.000
517	A	520	PHE	0	0.021	0.035	49.290	-0.003	-0.003	0.000	0.000	0.000
518	A	521	ALA	0	0.040	0.022	49.610	-0.002	-0.002	0.000	0.000	0.000
519	A	522	TYR	0	-0.006	0.012	45.807	-0.002	-0.002	0.000	0.000	0.000
520	A	523	TYR	0	0.020	0.004	49.082	-0.003	-0.003	0.000	0.000	0.000
521	A	524	LEU	0	0.010	0.010	52.056	-0.002	-0.002	0.000	0.000	0.000
522	A	525	ALA	0	0.020	0.018	49.766	-0.002	-0.002	0.000	0.000	0.000
523	A	526	LYS	1	0.902	0.951	48.115	0.012	0.012	0.000	0.000	0.000
524	A	527	HIS	0	-0.085	-0.033	51.360	-0.002	-0.002	0.000	0.000	0.000
525	A	528	GLY	0	-0.029	-0.022	53.989	0.000	0.000	0.000	0.000	0.000
526	A	529	LYS	1	0.843	0.934	55.465	0.015	0.015	0.000	0.000	0.000
527	A	530	ARG	1	0.878	0.929	52.669	0.018	0.018	0.000	0.000	0.000
528	A	531	TYR	0	-0.023	-0.048	53.049	0.001	0.001	0.000	0.000	0.000
529	A	532	SER	0	-0.103	-0.096	58.111	0.001	0.001	0.000	0.000	0.000
530	A	533	ASP	-1	-0.812	-0.880	60.272	-0.010	-0.010	0.000	0.000	0.000
531	A	534	GLY	0	0.017	0.018	62.713	0.000	0.000	0.000	0.000	0.000
532	A	535	SER	0	-0.072	-0.059	60.424	0.000	0.000	0.000	0.000	0.000
533	A	536	ALA	0	0.020	0.002	59.143	-0.001	-0.001	0.000	0.000	0.000
534	A	537	ASN	0	-0.011	-0.002	61.131	0.001	0.001	0.000	0.000	0.000
535	A	538	ASN	0	0.036	0.003	64.495	0.002	0.002	0.000	0.000	0.000
536	A	539	LEU	0	-0.018	0.001	57.556	0.000	0.000	0.000	0.000	0.000
537	A	540	THR	0	0.029	-0.005	60.609	0.001	0.001	0.000	0.000	0.000
538	A	541	HIS	0	0.075	0.035	61.791	0.002	0.002	0.000	0.000	0.000
539	A	542	LYS	1	0.947	0.980	62.786	0.008	0.008	0.000	0.000	0.000
540	A	543	THR	0	-0.012	-0.009	57.904	0.000	0.000	0.000	0.000	0.000
541	A	544	PHE	0	0.008	-0.023	57.770	0.001	0.001	0.000	0.000	0.000
542	A	545	GLU	-1	-0.765	-0.842	62.551	0.002	0.002	0.000	0.000	0.000
543	A	546	ALA	0	0.013	0.000	61.512	0.001	0.001	0.000	0.000	0.000
544	A	547	ILE	0	-0.027	-0.013	57.963	0.001	0.001	0.000	0.000	0.000
545	A	548	GLN	0	0.029	0.033	61.345	0.001	0.001	0.000	0.000	0.000
546	A	549	TYR	0	-0.013	0.002	64.497	0.001	0.001	0.000	0.000	0.000
547	A	550	TYR	0	-0.023	-0.043	61.835	0.001	0.001	0.000	0.000	0.000
548	A	551	LEU	0	-0.037	-0.012	59.386	0.001	0.001	0.000	0.000	0.000
549	A	552	LEU	0	-0.007	0.003	63.085	0.001	0.001	0.000	0.000	0.000
550	A	553	LYS	1	0.866	0.917	65.512	-0.006	-0.006	0.000	0.000	0.000
551	A	554	ALA	0	-0.016	-0.003	62.216	0.000	0.000	0.000	0.000	0.000
552	A	555	SER	0	0.023	-0.004	64.250	0.001	0.001	0.000	0.000	0.000
553	A	556	ASN	0	-0.045	-0.011	65.872	0.000	0.000	0.000	0.000	0.000
554	A	557	GLU	-1	-0.846	-0.917	66.102	0.011	0.011	0.000	0.000	0.000
555	A	558	LEU	0	-0.022	-0.006	62.661	0.001	0.001	0.000	0.000	0.000
556	A	559	ALA	0	-0.001	0.000	66.385	0.001	0.001	0.000	0.000	0.000
557	A	560	LYS	1	0.784	0.895	69.744	-0.011	-0.011	0.000	0.000	0.000
558	A	561	GLU	-1	-0.853	-0.871	64.339	0.021	0.021	0.000	0.000	0.000
559	A	562	GLN	0	-0.070	-0.052	62.816	0.002	0.002	0.000	0.000	0.000
560	A	563	GLY	0	0.006	0.018	68.629	0.001	0.001	0.000	0.000	0.000
561	A	564	ALA	0	-0.005	-0.009	69.776	0.001	0.001	0.000	0.000	0.000
562	A	565	CYS	0	-0.064	-0.010	68.922	0.001	0.001	0.000	0.000	0.000
563	A	566	PRO	0	0.002	-0.007	70.433	-0.001	-0.001	0.000	0.000	0.000
564	A	567	TRP	0	-0.035	-0.016	71.931	0.000	0.000	0.000	0.000	0.000
565	A	568	PHE	0	0.092	0.051	72.618	-0.001	-0.001	0.000	0.000	0.000
566	A	569	ASN	0	-0.029	-0.010	74.473	0.000	0.000	0.000	0.000	0.000
567	A	570	GLU	-1	-0.879	-0.925	75.636	0.020	0.020	0.000	0.000	0.000
568	A	571	THR	0	-0.048	-0.036	72.477	0.000	0.000	0.000	0.000	0.000
569	A	572	THR	0	-0.035	-0.045	74.740	0.000	0.000	0.000	0.000	0.000
570	A	573	TYR	0	0.041	-0.011	68.952	-0.001	-0.001	0.000	0.000	0.000
571	A	574	ALA	0	-0.034	0.000	75.277	-0.001	-0.001	0.000	0.000	0.000
572	A	575	LYS	1	0.816	0.887	77.750	-0.014	-0.014	0.000	0.000	0.000
573	A	576	GLY	0	-0.013	-0.008	78.533	-0.001	-0.001	0.000	0.000	0.000
574	A	577	ILE	0	-0.042	-0.004	76.963	-0.001	-0.001	0.000	0.000	0.000
575	A	578	LEU	0	0.023	0.004	72.848	0.001	0.001	0.000	0.000	0.000
576	A	579	PRO	0	0.042	0.018	69.667	0.000	0.000	0.000	0.000	0.000
577	A	580	ILE	0	-0.032	-0.029	71.631	-0.001	-0.001	0.000	0.000	0.000
578	A	581	ASP	-1	-0.779	-0.853	73.756	0.006	0.006	0.000	0.000	0.000
579	A	582	THR	0	-0.055	-0.047	74.189	0.000	0.000	0.000	0.000	0.000
580	A	583	TYR	0	-0.087	-0.049	72.180	0.001	0.001	0.000	0.000	0.000
581	A	584	LYS	1	0.821	0.891	72.836	-0.006	-0.006	0.000	0.000	0.000
582	A	585	LYS	1	0.954	0.966	74.206	-0.006	-0.006	0.000	0.000	0.000
583	A	586	ASP	-1	-0.814	-0.877	74.334	0.003	0.003	0.000	0.000	0.000
584	A	587	LEU	0	-0.017	-0.003	69.292	-0.001	-0.001	0.000	0.000	0.000
585	A	588	ASP	-1	-0.833	-0.891	72.265	0.001	0.001	0.000	0.000	0.000
586	A	589	THR	0	-0.119	-0.065	74.564	-0.001	-0.001	0.000	0.000	0.000
587	A	590	ILE	0	-0.041	-0.013	68.142	-0.001	-0.001	0.000	0.000	0.000
588	A	591	ALA	0	0.000	0.000	68.452	-0.001	-0.001	0.000	0.000	0.000
589	A	592	ASN	0	0.011	0.011	70.292	0.000	0.000	0.000	0.000	0.000
590	A	593	GLU	-1	-0.842	-0.905	66.812	-0.007	-0.007	0.000	0.000	0.000
591	A	594	PRO	0	-0.043	-0.010	69.991	0.001	0.001	0.000	0.000	0.000
592	A	595	LEU	0	-0.019	-0.013	70.130	0.000	0.000	0.000	0.000	0.000
593	A	596	HIS	1	0.763	0.849	67.201	0.003	0.003	0.000	0.000	0.000
594	A	597	TYR	0	-0.039	-0.029	63.668	0.000	0.000	0.000	0.000	0.000
595	A	598	ASP	-1	-0.846	-0.921	70.183	0.003	0.003	0.000	0.000	0.000
596	A	599	TRP	0	0.009	-0.049	68.121	0.001	0.001	0.000	0.000	0.000
597	A	600	GLU	-1	-0.805	-0.869	73.838	0.006	0.006	0.000	0.000	0.000
598	A	601	ALA	0	0.001	0.010	74.770	0.001	0.001	0.000	0.000	0.000
599	A	602	LEU	0	-0.044	-0.024	69.858	0.001	0.001	0.000	0.000	0.000
600	A	603	ARG	1	0.726	0.807	73.822	-0.005	-0.005	0.000	0.000	0.000
601	A	604	GLU	-1	-0.797	-0.881	76.537	0.008	0.008	0.000	0.000	0.000
602	A	605	SER	0	-0.020	-0.029	73.127	0.001	0.001	0.000	0.000	0.000
603	A	606	ILE	0	0.008	0.004	71.161	0.001	0.001	0.000	0.000	0.000
604	A	607	LYS	1	0.790	0.883	74.783	-0.008	-0.008	0.000	0.000	0.000
605	A	608	THR	0	-0.076	-0.032	78.056	0.000	0.000	0.000	0.000	0.000
606	A	609	HIS	0	-0.068	-0.043	73.980	0.000	0.000	0.000	0.000	0.000
607	A	610	GLY	0	0.028	0.023	74.072	0.001	0.001	0.000	0.000	0.000
608	A	611	LEU	0	-0.013	-0.016	68.851	-0.001	-0.001	0.000	0.000	0.000
609	A	612	ARG	1	0.856	0.928	64.621	-0.025	-0.025	0.000	0.000	0.000
610	A	613	ASN	0	-0.031	-0.028	63.668	0.000	0.000	0.000	0.000	0.000
611	A	614	SER	0	-0.042	-0.029	66.820	-0.001	-0.001	0.000	0.000	0.000
612	A	615	THR	0	-0.045	-0.028	64.083	-0.001	-0.001	0.000	0.000	0.000
613	A	616	LEU	0	-0.002	-0.004	62.734	0.001	0.001	0.000	0.000	0.000
614	A	617	SER	0	0.011	0.005	60.876	0.001	0.001	0.000	0.000	0.000
615	A	618	ALA	0	-0.004	-0.015	59.573	0.000	0.000	0.000	0.000	0.000
616	A	619	LEU	0	-0.031	0.000	57.289	0.000	0.000	0.000	0.000	0.000
617	A	620	MET	0	0.018	0.028	53.049	-0.001	-0.001	0.000	0.000	0.000
618	A	621	PRO	0	-0.003	0.003	51.638	-0.002	-0.002	0.000	0.000	0.000
619	A	622	SER	0	-0.006	-0.026	47.730	0.001	0.001	0.000	0.000	0.000
620	A	623	GLU	-1	-0.836	-0.927	43.397	0.029	0.029	0.000	0.000	0.000
621	A	624	THR	0	-0.004	-0.008	41.605	0.001	0.001	0.000	0.000	0.000
622	A	625	SER	0	0.055	0.027	42.471	0.000	0.000	0.000	0.000	0.000
623	A	626	SER	0	0.057	0.025	44.052	0.000	0.000	0.000	0.000	0.000
624	A	627	GLN	0	-0.008	0.005	38.294	0.001	0.001	0.000	0.000	0.000
625	A	628	ILE	0	-0.014	-0.013	39.203	-0.002	-0.002	0.000	0.000	0.000
626	A	629	SER	0	0.004	0.004	39.679	-0.002	-0.002	0.000	0.000	0.000
627	A	630	ASN	0	-0.079	-0.025	38.206	-0.003	-0.003	0.000	0.000	0.000
628	A	631	ALA	0	-0.004	0.000	40.848	-0.005	-0.005	0.000	0.000	0.000
629	A	632	THR	0	0.049	0.000	44.510	0.002	0.002	0.000	0.000	0.000
630	A	633	ASN	0	-0.017	0.004	45.323	0.001	0.001	0.000	0.000	0.000
631	A	634	GLY	0	0.039	0.034	48.203	-0.001	-0.001	0.000	0.000	0.000
632	A	635	ILE	0	0.054	-0.005	51.553	-0.002	-0.002	0.000	0.000	0.000
633	A	636	GLU	-1	-0.821	-0.868	51.016	0.008	0.008	0.000	0.000	0.000
634	A	637	PRO	0	0.034	0.032	50.875	-0.001	-0.001	0.000	0.000	0.000
635	A	638	PRO	0	-0.021	-0.005	45.937	0.002	0.002	0.000	0.000	0.000
636	A	639	ARG	1	0.969	0.979	45.965	-0.017	-0.017	0.000	0.000	0.000
637	A	640	GLY	0	0.033	0.011	44.176	-0.002	-0.002	0.000	0.000	0.000
638	A	641	TYR	0	0.006	-0.009	41.496	0.002	0.002	0.000	0.000	0.000
639	A	642	VAL	0	-0.010	-0.003	36.078	-0.001	-0.001	0.000	0.000	0.000
640	A	643	SER	0	-0.031	-0.004	38.915	0.003	0.003	0.000	0.000	0.000
641	A	644	ILE	0	0.010	-0.011	35.506	0.000	0.000	0.000	0.000	0.000
642	A	645	LYS	1	0.846	0.928	36.237	-0.027	-0.027	0.000	0.000	0.000
643	A	646	ALA	0	0.014	0.013	34.756	-0.001	-0.001	0.000	0.000	0.000
644	A	647	SER	0	-0.056	-0.053	31.604	0.006	0.006	0.000	0.000	0.000
645	A	648	LYS	1	0.951	0.967	30.259	-0.110	-0.110	0.000	0.000	0.000
646	A	649	ASP	-1	-0.795	-0.879	27.514	0.131	0.131	0.000	0.000	0.000
647	A	650	GLY	0	-0.010	-0.005	27.126	-0.006	-0.006	0.000	0.000	0.000
648	A	651	ILE	0	-0.034	-0.008	29.009	0.001	0.001	0.000	0.000	0.000
649	A	652	LEU	0	-0.021	-0.001	30.595	-0.006	-0.006	0.000	0.000	0.000
650	A	653	ARG	1	0.875	0.934	28.813	0.002	0.002	0.000	0.000	0.000
651	A	654	GLN	0	0.002	-0.004	33.868	0.005	0.005	0.000	0.000	0.000
652	A	655	VAL	0	-0.023	-0.005	35.386	0.001	0.001	0.000	0.000	0.000
653	A	656	VAL	0	-0.007	-0.005	38.146	0.002	0.002	0.000	0.000	0.000
654	A	657	PRO	0	0.017	0.014	40.865	-0.004	-0.004	0.000	0.000	0.000
655	A	658	ASP	-1	-0.779	-0.884	40.971	-0.035	-0.035	0.000	0.000	0.000
656	A	659	TYR	0	0.058	0.031	39.385	0.002	0.002	0.000	0.000	0.000
657	A	660	GLU	-1	-0.855	-0.928	38.901	-0.060	-0.060	0.000	0.000	0.000
658	A	661	HIS	1	0.783	0.865	41.127	0.047	0.047	0.000	0.000	0.000
659	A	662	LEU	0	0.028	0.026	44.649	0.001	0.001	0.000	0.000	0.000
660	A	663	HIS	1	0.789	0.909	43.504	0.044	0.044	0.000	0.000	0.000
661	A	664	ASP	-1	-0.821	-0.904	45.741	-0.035	-0.035	0.000	0.000	0.000
662	A	665	ALA	0	-0.032	0.002	49.097	0.002	0.002	0.000	0.000	0.000
663	A	666	TYR	0	-0.048	-0.053	44.835	0.004	0.004	0.000	0.000	0.000
664	A	667	GLU	-1	-0.743	-0.843	49.858	-0.010	-0.010	0.000	0.000	0.000
665	A	668	LEU	0	-0.069	-0.028	46.320	0.003	0.003	0.000	0.000	0.000
666	A	669	LEU	0	-0.008	-0.008	50.092	0.000	0.000	0.000	0.000	0.000
667	A	670	TRP	0	-0.007	-0.030	49.654	0.000	0.000	0.000	0.000	0.000
668	A	671	GLU	-1	-0.879	-0.933	49.913	-0.017	-0.017	0.000	0.000	0.000
669	A	672	MET	0	-0.030	0.008	54.019	-0.001	-0.001	0.000	0.000	0.000
670	A	673	PRO	0	-0.042	-0.028	57.099	0.001	0.001	0.000	0.000	0.000
671	A	674	GLY	0	0.011	0.001	60.131	0.001	0.001	0.000	0.000	0.000
672	A	675	ASN	0	-0.011	-0.010	60.363	0.000	0.000	0.000	0.000	0.000
673	A	676	ASP	-1	-0.840	-0.901	62.163	0.001	0.001	0.000	0.000	0.000
674	A	677	GLY	0	0.050	0.032	62.243	0.000	0.000	0.000	0.000	0.000
675	A	678	TYR	0	0.001	-0.030	56.376	0.000	0.000	0.000	0.000	0.000
676	A	679	LEU	0	-0.010	-0.013	60.777	0.001	0.001	0.000	0.000	0.000
677	A	680	GLN	0	0.021	0.020	63.791	0.000	0.000	0.000	0.000	0.000
678	A	681	LEU	0	-0.016	0.005	59.048	0.000	0.000	0.000	0.000	0.000
679	A	682	VAL	0	0.020	0.006	60.515	0.001	0.001	0.000	0.000	0.000
680	A	683	GLY	0	-0.004	-0.005	62.855	0.001	0.001	0.000	0.000	0.000
681	A	684	ILE	0	-0.034	-0.022	64.781	0.000	0.000	0.000	0.000	0.000
682	A	685	MET	0	-0.036	-0.007	58.204	0.001	0.001	0.000	0.000	0.000
683	A	686	GLN	0	-0.034	-0.021	63.774	0.001	0.001	0.000	0.000	0.000
684	A	687	LYS	1	0.864	0.945	66.200	-0.002	-0.002	0.000	0.000	0.000
685	A	688	PHE	0	0.003	-0.018	65.308	0.000	0.000	0.000	0.000	0.000
686	A	689	ILE	0	-0.045	-0.003	61.236	0.001	0.001	0.000	0.000	0.000
687	A	690	ASP	-1	-0.726	-0.833	64.993	0.015	0.015	0.000	0.000	0.000
688	A	691	GLN	0	0.018	0.000	62.403	0.001	0.001	0.000	0.000	0.000
689	A	692	SER	0	-0.015	-0.022	63.354	-0.002	-0.002	0.000	0.000	0.000
690	A	693	ILE	0	0.008	-0.008	59.309	0.000	0.000	0.000	0.000	0.000
691	A	694	SER	0	-0.008	-0.003	56.450	0.000	0.000	0.000	0.000	0.000
692	A	695	ALA	0	-0.016	0.000	57.311	0.000	0.000	0.000	0.000	0.000
693	A	696	ASN	0	0.014	0.005	54.760	0.002	0.002	0.000	0.000	0.000
694	A	697	THR	0	0.001	0.012	58.201	-0.001	-0.001	0.000	0.000	0.000
695	A	698	ASN	0	0.006	-0.009	55.304	0.003	0.003	0.000	0.000	0.000
696	A	699	TYR	0	-0.030	-0.042	57.501	-0.001	-0.001	0.000	0.000	0.000
697	A	700	ASP	-1	-0.764	-0.852	54.845	0.000	0.000	0.000	0.000	0.000
698	A	701	PRO	0	0.024	0.001	56.202	-0.001	-0.001	0.000	0.000	0.000
699	A	702	SER	0	-0.043	-0.040	55.928	-0.001	-0.001	0.000	0.000	0.000
700	A	703	ARG	1	0.899	0.963	55.873	0.005	0.005	0.000	0.000	0.000
701	A	704	PHE	0	0.000	-0.009	60.385	0.000	0.000	0.000	0.000	0.000
702	A	705	PRO	0	0.054	0.020	62.873	0.000	0.000	0.000	0.000	0.000
703	A	706	SER	0	-0.051	-0.036	63.866	0.001	0.001	0.000	0.000	0.000
704	A	707	GLY	0	0.011	0.015	60.620	0.001	0.001	0.000	0.000	0.000
705	A	708	LYS	1	0.895	0.956	61.100	-0.004	-0.004	0.000	0.000	0.000
706	A	709	VAL	0	0.027	0.013	61.133	-0.001	-0.001	0.000	0.000	0.000
707	A	710	PRO	0	-0.011	0.013	64.132	0.001	0.001	0.000	0.000	0.000
708	A	711	MET	0	0.060	0.025	67.808	0.000	0.000	0.000	0.000	0.000
709	A	712	GLN	0	0.020	0.011	69.582	0.001	0.001	0.000	0.000	0.000
710	A	713	GLN	0	-0.020	-0.016	65.572	-0.001	-0.001	0.000	0.000	0.000
711	A	714	LEU	0	-0.007	-0.004	63.833	0.000	0.000	0.000	0.000	0.000
712	A	715	LEU	0	0.010	-0.007	67.299	0.000	0.000	0.000	0.000	0.000
713	A	716	LYS	1	0.827	0.911	67.914	-0.002	-0.002	0.000	0.000	0.000
714	A	717	ASP	-1	-0.754	-0.861	64.932	0.003	0.003	0.000	0.000	0.000
715	A	718	LEU	0	-0.006	0.002	67.692	0.000	0.000	0.000	0.000	0.000
716	A	719	LEU	0	0.006	0.001	68.973	0.000	0.000	0.000	0.000	0.000
717	A	720	THR	0	-0.024	-0.011	67.979	0.000	0.000	0.000	0.000	0.000
718	A	721	ALA	0	0.010	0.000	66.773	0.000	0.000	0.000	0.000	0.000
719	A	722	TYR	0	-0.042	-0.034	68.398	-0.001	-0.001	0.000	0.000	0.000
720	A	723	LYS	1	0.893	0.936	71.672	-0.003	-0.003	0.000	0.000	0.000
721	A	724	PHE	0	0.019	0.006	69.166	0.000	0.000	0.000	0.000	0.000
722	A	725	GLY	0	0.016	0.011	69.959	0.000	0.000	0.000	0.000	0.000
723	A	726	VAL	0	-0.015	0.005	65.076	0.001	0.001	0.000	0.000	0.000
724	A	727	LYS	1	0.914	0.970	66.744	-0.014	-0.014	0.000	0.000	0.000
725	A	728	THR	0	-0.043	-0.021	63.049	0.000	0.000	0.000	0.000	0.000
726	A	729	LEU	0	-0.022	0.000	62.705	-0.001	-0.001	0.000	0.000	0.000
727	A	730	TY2	0	0.083	0.036	53.407	0.002	0.002	0.000	0.000	0.000
728	A	731	TYR	0	-0.014	-0.008	51.951	0.000	0.000	0.000	0.000	0.000
729	A	732	GLN	0	0.011	0.020	57.536	-0.002	-0.002	0.000	0.000	0.000
730	A	733	ASN	0	-0.102	-0.058	53.566	0.003	0.003	0.000	0.000	0.000
731	A	734	THR	0	0.013	-0.010	55.305	-0.002	-0.002	0.000	0.000	0.000
732	A	735	ARG	1	0.861	0.936	49.300	0.004	0.004	0.000	0.000	0.000
733	A	736	ASP	-1	-0.918	-0.960	49.860	0.014	0.014	0.000	0.000	0.000
734	A	737	GLY	0	-0.028	-0.011	50.214	-0.002	-0.002	0.000	0.000	0.000

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