FMO DATABASE

FMODB ID: 6YM8Z

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:

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	734
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19273051.521501
FMO2-HF: Nuclear repulsion	18982043.682568
FMO2-HF: Total energy	-291007.838933
FMO2-MP2: Total energy	-291858.965138

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.
-5.717	-1.638	0.414	-1.577	-2.914	0.01

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 : -0.045 / q_NPA : -0.045

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	6	LEU	0	0.024	0.012	3.412	-0.145	1.909	0.041	-0.722	-1.373	0.001
4	A	7	VAL	0	-0.010	-0.001	5.353	-1.547	-1.533	-0.001	-0.003	-0.009	0.000
5	A	8	THR	0	0.006	0.010	8.804	0.375	0.375	0.000	0.000	0.000	0.000
6	A	9	LYS	1	0.747	0.862	11.381	-1.602	-1.602	0.000	0.000	0.000	0.000
7	A	10	ARG	1	0.827	0.883	13.984	-0.489	-0.489	0.000	0.000	0.000	0.000
8	A	11	ASP	-1	-0.804	-0.871	16.183	0.874	0.874	0.000	0.000	0.000	0.000
9	A	12	GLY	0	0.008	0.020	16.606	-0.060	-0.060	0.000	0.000	0.000	0.000
10	A	13	SER	0	-0.062	-0.043	13.361	0.146	0.146	0.000	0.000	0.000	0.000
11	A	14	THR	0	-0.027	-0.039	8.531	0.195	0.195	0.000	0.000	0.000	0.000
12	A	15	GLU	-1	-0.836	-0.904	6.977	1.847	1.847	0.000	0.000	0.000	0.000
13	A	16	ARG	1	0.973	0.993	2.823	-5.921	-4.069	0.376	-0.810	-1.418	0.009
14	A	17	ILE	0	0.041	0.034	4.886	-1.521	-1.418	-0.001	-0.019	-0.083	0.000
15	A	18	ASN	0	-0.021	-0.018	7.020	-0.470	-0.470	0.000	0.000	0.000	0.000
16	A	19	LEU	0	0.070	0.025	7.582	0.038	0.038	0.000	0.000	0.000	0.000
17	A	20	ASP	-1	-0.794	-0.846	10.708	-0.206	-0.206	0.000	0.000	0.000	0.000
18	A	21	LYS	1	0.947	0.958	13.085	-0.218	-0.218	0.000	0.000	0.000	0.000
19	A	22	ILE	0	-0.018	-0.005	11.714	0.044	0.044	0.000	0.000	0.000	0.000
20	A	23	HIS	1	0.808	0.876	14.833	0.293	0.293	0.000	0.000	0.000	0.000
21	A	24	ARG	1	0.853	0.886	16.510	0.222	0.222	0.000	0.000	0.000	0.000
22	A	25	VAL	0	-0.030	-0.003	18.566	0.019	0.019	0.000	0.000	0.000	0.000
23	A	26	LEU	0	0.001	-0.008	17.584	0.006	0.006	0.000	0.000	0.000	0.000
24	A	27	ASP	-1	-0.828	-0.912	21.018	-0.186	-0.186	0.000	0.000	0.000	0.000
25	A	28	TRP	0	0.028	0.013	23.032	0.014	0.014	0.000	0.000	0.000	0.000
26	A	29	ALA	0	-0.019	-0.008	23.920	0.005	0.005	0.000	0.000	0.000	0.000
27	A	30	ALA	0	-0.024	-0.017	25.151	0.004	0.004	0.000	0.000	0.000	0.000
28	A	31	GLU	-1	-0.911	-0.946	26.817	-0.039	-0.039	0.000	0.000	0.000	0.000
29	A	32	GLY	0	0.006	0.001	29.071	0.012	0.012	0.000	0.000	0.000	0.000
30	A	33	LEU	0	-0.097	-0.025	28.942	0.004	0.004	0.000	0.000	0.000	0.000
31	A	34	HIS	0	0.030	0.006	31.288	-0.019	-0.019	0.000	0.000	0.000	0.000
32	A	35	ASN	0	-0.050	-0.034	30.986	0.003	0.003	0.000	0.000	0.000	0.000
33	A	36	VAL	0	-0.005	0.002	26.500	-0.008	-0.008	0.000	0.000	0.000	0.000
34	A	37	SER	0	0.015	0.004	23.501	-0.020	-0.020	0.000	0.000	0.000	0.000
35	A	38	ILE	0	0.028	0.017	19.304	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	39	SER	0	0.034	0.018	18.300	-0.006	-0.006	0.000	0.000	0.000	0.000
37	A	40	GLN	0	0.002	0.001	18.307	-0.013	-0.013	0.000	0.000	0.000	0.000
38	A	41	VAL	0	0.017	0.012	19.298	0.008	0.008	0.000	0.000	0.000	0.000
39	A	42	GLU	-1	-0.829	-0.886	14.893	-0.345	-0.345	0.000	0.000	0.000	0.000
40	A	43	LEU	0	-0.008	-0.001	14.701	-0.019	-0.019	0.000	0.000	0.000	0.000
41	A	44	ARG	1	0.869	0.927	15.504	0.102	0.102	0.000	0.000	0.000	0.000
42	A	45	SER	0	-0.018	-0.021	15.606	0.029	0.029	0.000	0.000	0.000	0.000
43	A	46	HIS	0	-0.001	-0.020	9.756	0.025	0.025	0.000	0.000	0.000	0.000
44	A	47	ILE	0	-0.035	-0.004	10.817	-0.022	-0.022	0.000	0.000	0.000	0.000
45	A	48	GLN	0	-0.063	-0.043	12.937	0.082	0.082	0.000	0.000	0.000	0.000
46	A	49	PHE	0	-0.036	-0.018	9.581	0.121	0.121	0.000	0.000	0.000	0.000
47	A	50	TYR	0	0.016	0.012	9.212	-0.064	-0.064	0.000	0.000	0.000	0.000
48	A	51	ASP	-1	-0.837	-0.927	4.369	3.116	3.172	-0.001	-0.023	-0.031	0.000
49	A	52	GLY	0	0.059	0.031	7.407	-0.139	-0.139	0.000	0.000	0.000	0.000
50	A	53	ILE	0	-0.053	0.001	9.445	-0.161	-0.161	0.000	0.000	0.000	0.000
51	A	54	LYS	1	0.906	0.930	11.700	-0.356	-0.356	0.000	0.000	0.000	0.000
52	A	55	THR	0	0.002	-0.044	13.492	-0.098	-0.098	0.000	0.000	0.000	0.000
53	A	56	SER	0	-0.043	-0.020	15.230	-0.055	-0.055	0.000	0.000	0.000	0.000
54	A	57	ASP	-1	-0.731	-0.820	16.106	0.426	0.426	0.000	0.000	0.000	0.000
55	A	58	ILE	0	0.009	0.028	11.850	-0.082	-0.082	0.000	0.000	0.000	0.000
56	A	59	HIS	0	0.015	0.012	15.718	-0.066	-0.066	0.000	0.000	0.000	0.000
57	A	60	GLU	-1	-0.798	-0.901	19.079	0.252	0.252	0.000	0.000	0.000	0.000
58	A	61	THR	0	-0.027	-0.017	15.776	-0.043	-0.043	0.000	0.000	0.000	0.000
59	A	62	ILE	0	-0.027	-0.024	16.231	-0.041	-0.041	0.000	0.000	0.000	0.000
60	A	63	ILE	0	-0.015	0.010	18.937	-0.025	-0.025	0.000	0.000	0.000	0.000
61	A	64	LYS	1	0.885	0.930	21.836	-0.071	-0.071	0.000	0.000	0.000	0.000
62	A	65	ALA	0	-0.010	-0.003	19.275	-0.015	-0.015	0.000	0.000	0.000	0.000
63	A	66	ALA	0	0.033	0.016	21.409	-0.021	-0.021	0.000	0.000	0.000	0.000
64	A	67	ALA	0	0.033	0.009	24.094	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	68	ASP	-1	-0.845	-0.905	24.574	0.011	0.011	0.000	0.000	0.000	0.000
66	A	69	LEU	0	-0.036	-0.007	23.258	-0.014	-0.014	0.000	0.000	0.000	0.000
67	A	70	ILE	0	-0.074	-0.007	27.439	-0.004	-0.004	0.000	0.000	0.000	0.000
68	A	71	SER	0	-0.016	-0.013	30.666	0.002	0.002	0.000	0.000	0.000	0.000
69	A	72	ARG	1	0.916	0.943	33.412	0.033	0.033	0.000	0.000	0.000	0.000
70	A	73	ASP	-1	-0.907	-0.956	34.140	-0.053	-0.053	0.000	0.000	0.000	0.000
71	A	74	ALA	0	0.015	0.017	30.790	-0.006	-0.006	0.000	0.000	0.000	0.000
72	A	75	PRO	0	0.024	0.015	31.858	0.004	0.004	0.000	0.000	0.000	0.000
73	A	76	ASP	-1	-0.756	-0.885	31.281	-0.037	-0.037	0.000	0.000	0.000	0.000
74	A	77	TYR	0	0.036	0.016	24.883	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	78	GLN	0	-0.029	-0.007	28.556	0.012	0.012	0.000	0.000	0.000	0.000
76	A	79	TYR	0	0.049	0.009	31.149	0.011	0.011	0.000	0.000	0.000	0.000
77	A	80	LEU	0	0.011	0.024	23.845	0.010	0.010	0.000	0.000	0.000	0.000
78	A	81	ALA	0	0.021	-0.008	25.597	0.013	0.013	0.000	0.000	0.000	0.000
79	A	82	ALA	0	-0.025	-0.007	26.670	0.019	0.019	0.000	0.000	0.000	0.000
80	A	83	ARG	1	0.860	0.930	27.439	0.025	0.025	0.000	0.000	0.000	0.000
81	A	84	LEU	0	0.002	0.003	21.300	0.018	0.018	0.000	0.000	0.000	0.000
82	A	85	ALA	0	-0.008	-0.012	24.414	0.029	0.029	0.000	0.000	0.000	0.000
83	A	86	ILE	0	0.006	0.007	26.569	0.021	0.021	0.000	0.000	0.000	0.000
84	A	87	PHE	0	-0.003	-0.004	19.761	0.027	0.027	0.000	0.000	0.000	0.000
85	A	88	HIS	0	-0.053	-0.052	21.759	0.042	0.042	0.000	0.000	0.000	0.000
86	A	89	LEU	0	-0.006	-0.011	23.881	0.026	0.026	0.000	0.000	0.000	0.000
87	A	90	ARG	1	0.846	0.929	26.579	-0.103	-0.103	0.000	0.000	0.000	0.000
88	A	91	LYS	1	0.873	0.934	18.200	-0.352	-0.352	0.000	0.000	0.000	0.000
89	A	92	LYS	1	0.773	0.896	24.492	-0.211	-0.211	0.000	0.000	0.000	0.000
90	A	93	ALA	0	0.027	0.039	25.936	0.008	0.008	0.000	0.000	0.000	0.000
91	A	94	TYR	0	-0.010	-0.020	27.547	-0.003	-0.003	0.000	0.000	0.000	0.000
92	A	95	GLY	0	-0.006	0.020	23.558	0.008	0.008	0.000	0.000	0.000	0.000
93	A	96	GLN	0	-0.118	-0.077	22.435	0.046	0.046	0.000	0.000	0.000	0.000
94	A	97	PHE	0	0.005	-0.022	24.324	-0.005	-0.005	0.000	0.000	0.000	0.000
95	A	98	GLU	-1	-0.863	-0.928	25.821	0.095	0.095	0.000	0.000	0.000	0.000
96	A	99	PRO	0	-0.035	-0.010	29.066	0.019	0.019	0.000	0.000	0.000	0.000
97	A	100	PRO	0	-0.030	0.000	31.386	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	101	ALA	0	0.044	0.021	33.432	-0.008	-0.008	0.000	0.000	0.000	0.000
99	A	102	LEU	0	-0.003	-0.018	37.147	0.007	0.007	0.000	0.000	0.000	0.000
100	A	103	TYR	0	-0.040	-0.026	39.514	0.002	0.002	0.000	0.000	0.000	0.000
101	A	104	ASP	-1	-0.845	-0.929	36.791	0.130	0.130	0.000	0.000	0.000	0.000
102	A	105	HIS	0	-0.057	-0.031	35.426	0.015	0.015	0.000	0.000	0.000	0.000
103	A	106	VAL	0	-0.002	-0.012	37.394	0.003	0.003	0.000	0.000	0.000	0.000
104	A	107	VAL	0	0.015	0.017	40.433	0.000	0.000	0.000	0.000	0.000	0.000
105	A	108	LYS	1	0.974	0.994	31.630	-0.193	-0.193	0.000	0.000	0.000	0.000
106	A	109	MET	0	-0.044	-0.026	36.964	0.009	0.009	0.000	0.000	0.000	0.000
107	A	110	VAL	0	-0.026	0.006	39.236	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	111	GLU	-1	-0.944	-0.956	39.216	0.148	0.148	0.000	0.000	0.000	0.000
109	A	112	MET	0	-0.098	-0.054	33.584	0.007	0.007	0.000	0.000	0.000	0.000
110	A	113	GLY	0	-0.012	-0.001	39.236	0.002	0.002	0.000	0.000	0.000	0.000
111	A	114	LYS	1	0.826	0.912	36.813	-0.161	-0.161	0.000	0.000	0.000	0.000
112	A	115	TYR	0	-0.015	-0.060	38.921	-0.004	-0.004	0.000	0.000	0.000	0.000
113	A	116	ASP	-1	-0.794	-0.885	43.267	0.084	0.084	0.000	0.000	0.000	0.000
114	A	117	ASN	0	-0.016	-0.036	47.025	0.004	0.004	0.000	0.000	0.000	0.000
115	A	118	HIS	0	0.063	0.044	48.389	0.000	0.000	0.000	0.000	0.000	0.000
116	A	119	LEU	0	-0.034	-0.017	44.906	-0.003	-0.003	0.000	0.000	0.000	0.000
117	A	120	LEU	0	-0.027	-0.029	44.600	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	121	GLU	-1	-0.917	-0.925	48.642	0.074	0.074	0.000	0.000	0.000	0.000
119	A	122	ASP	-1	-0.805	-0.868	52.148	0.060	0.060	0.000	0.000	0.000	0.000
120	A	123	TYR	0	-0.105	-0.077	49.304	-0.005	-0.005	0.000	0.000	0.000	0.000
121	A	124	THR	0	0.005	-0.005	50.102	0.003	0.003	0.000	0.000	0.000	0.000
122	A	125	GLU	-1	-0.747	-0.859	44.958	0.090	0.090	0.000	0.000	0.000	0.000
123	A	126	GLU	-1	-0.866	-0.916	46.424	0.071	0.071	0.000	0.000	0.000	0.000
124	A	127	GLU	-1	-0.726	-0.822	48.212	0.055	0.055	0.000	0.000	0.000	0.000
125	A	128	PHE	0	0.015	0.000	44.011	0.000	0.000	0.000	0.000	0.000	0.000
126	A	129	LYS	1	0.803	0.873	43.149	-0.078	-0.078	0.000	0.000	0.000	0.000
127	A	130	GLN	0	-0.026	-0.007	44.276	-0.001	-0.001	0.000	0.000	0.000	0.000
128	A	131	MET	0	-0.007	0.010	44.998	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	132	ASP	-1	-0.792	-0.901	39.368	0.093	0.093	0.000	0.000	0.000	0.000
130	A	133	THR	0	-0.123	-0.071	41.326	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	134	PHE	0	-0.049	-0.031	43.492	-0.005	-0.005	0.000	0.000	0.000	0.000
132	A	135	ILE	0	-0.001	0.004	38.409	-0.004	-0.004	0.000	0.000	0.000	0.000
133	A	136	ASP	-1	-0.813	-0.899	38.452	0.037	0.037	0.000	0.000	0.000	0.000
134	A	137	HIS	0	0.051	0.001	33.752	-0.003	-0.003	0.000	0.000	0.000	0.000
135	A	138	ASP	-1	-0.851	-0.935	33.052	0.055	0.055	0.000	0.000	0.000	0.000
136	A	139	ARG	1	0.796	0.874	34.730	-0.045	-0.045	0.000	0.000	0.000	0.000
137	A	140	ASP	-1	-0.803	-0.876	32.640	0.087	0.087	0.000	0.000	0.000	0.000
138	A	141	MET	0	-0.097	-0.028	30.122	0.005	0.005	0.000	0.000	0.000	0.000
139	A	142	THR	0	-0.034	-0.032	32.651	-0.011	-0.011	0.000	0.000	0.000	0.000
140	A	143	PHE	0	-0.010	0.004	34.028	-0.004	-0.004	0.000	0.000	0.000	0.000
141	A	144	SER	0	0.034	0.005	33.754	-0.002	-0.002	0.000	0.000	0.000	0.000
142	A	145	TYR	0	0.012	-0.012	27.546	0.011	0.011	0.000	0.000	0.000	0.000
143	A	146	ALA	0	-0.017	-0.008	31.624	0.011	0.011	0.000	0.000	0.000	0.000
144	A	147	ALA	0	-0.011	0.019	34.428	0.007	0.007	0.000	0.000	0.000	0.000
145	A	148	VAL	0	0.040	0.018	30.292	0.007	0.007	0.000	0.000	0.000	0.000
146	A	149	LYS	1	0.789	0.872	28.633	-0.114	-0.114	0.000	0.000	0.000	0.000
147	A	150	GLN	0	-0.005	0.001	32.908	0.012	0.012	0.000	0.000	0.000	0.000
148	A	151	LEU	0	0.007	0.002	35.260	0.004	0.004	0.000	0.000	0.000	0.000
149	A	152	GLU	-1	-0.826	-0.891	29.822	0.147	0.147	0.000	0.000	0.000	0.000
150	A	153	GLY	0	-0.026	0.001	33.942	0.008	0.008	0.000	0.000	0.000	0.000
151	A	154	LYS	1	0.763	0.864	36.061	-0.068	-0.068	0.000	0.000	0.000	0.000
152	A	155	TYR	0	-0.015	-0.021	38.360	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	156	LEU	0	0.029	0.036	33.189	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	157	VAL	0	0.018	0.013	36.792	0.006	0.006	0.000	0.000	0.000	0.000
155	A	158	GLN	0	-0.043	-0.030	34.059	0.014	0.014	0.000	0.000	0.000	0.000
156	A	159	ASN	0	-0.002	-0.007	33.147	-0.017	-0.017	0.000	0.000	0.000	0.000
157	A	160	ARG	1	0.817	0.879	34.111	-0.117	-0.117	0.000	0.000	0.000	0.000
158	A	161	VAL	0	0.008	0.017	34.544	-0.002	-0.002	0.000	0.000	0.000	0.000
159	A	162	THR	0	0.022	0.008	30.160	0.003	0.003	0.000	0.000	0.000	0.000
160	A	163	GLY	0	0.018	0.023	29.532	0.016	0.016	0.000	0.000	0.000	0.000
161	A	164	GLU	-1	-0.838	-0.894	29.128	0.234	0.234	0.000	0.000	0.000	0.000
162	A	165	ILE	0	-0.028	-0.035	29.857	-0.018	-0.018	0.000	0.000	0.000	0.000
163	A	166	TYR	0	-0.035	-0.045	30.568	0.006	0.006	0.000	0.000	0.000	0.000
164	A	167	GLU	-1	-0.707	-0.810	33.059	0.110	0.110	0.000	0.000	0.000	0.000
165	A	168	SER	0	-0.010	-0.004	32.639	0.003	0.003	0.000	0.000	0.000	0.000
166	A	169	ALA	0	0.041	0.009	34.396	-0.004	-0.004	0.000	0.000	0.000	0.000
167	A	170	GLN	0	0.050	0.035	36.548	-0.008	-0.008	0.000	0.000	0.000	0.000
168	A	171	PHE	0	0.046	0.019	34.741	-0.004	-0.004	0.000	0.000	0.000	0.000
169	A	172	LEU	0	-0.012	0.009	38.830	-0.003	-0.003	0.000	0.000	0.000	0.000
170	A	173	TYR	0	0.003	-0.018	40.142	-0.004	-0.004	0.000	0.000	0.000	0.000
171	A	174	ILE	0	-0.002	0.005	41.588	-0.004	-0.004	0.000	0.000	0.000	0.000
172	A	175	LEU	0	0.015	0.015	41.359	-0.002	-0.002	0.000	0.000	0.000	0.000
173	A	176	VAL	0	-0.031	-0.014	44.609	-0.002	-0.002	0.000	0.000	0.000	0.000
174	A	177	ALA	0	-0.033	-0.013	46.675	-0.003	-0.003	0.000	0.000	0.000	0.000
175	A	178	ALA	0	0.015	0.006	47.328	-0.002	-0.002	0.000	0.000	0.000	0.000
176	A	179	CYS	0	-0.017	-0.006	48.621	0.000	0.000	0.000	0.000	0.000	0.000
177	A	180	LEU	0	-0.028	-0.007	50.469	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	181	PHE	0	-0.021	-0.010	52.420	-0.003	-0.003	0.000	0.000	0.000	0.000
179	A	182	SER	0	-0.053	-0.036	52.596	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	183	ASN	0	-0.012	-0.015	54.189	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	184	TYR	0	0.009	0.018	57.199	-0.003	-0.003	0.000	0.000	0.000	0.000
182	A	185	PRO	0	0.029	0.026	58.799	0.002	0.002	0.000	0.000	0.000	0.000
183	A	186	ARG	1	0.947	0.951	54.822	-0.053	-0.053	0.000	0.000	0.000	0.000
184	A	187	GLU	-1	-0.911	-0.956	57.473	0.037	0.037	0.000	0.000	0.000	0.000
185	A	188	THR	0	-0.052	-0.033	58.396	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	189	ARG	1	0.748	0.852	53.296	-0.055	-0.055	0.000	0.000	0.000	0.000
187	A	190	LEU	0	0.058	0.017	50.042	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	GLN	0	-0.009	0.002	51.804	0.000	0.000	0.000	0.000	0.000	0.000
189	A	192	TYR	0	-0.009	-0.014	53.605	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	193	VAL	0	-0.002	0.012	48.399	0.000	0.000	0.000	0.000	0.000	0.000
191	A	194	LYS	1	0.836	0.908	45.676	-0.040	-0.040	0.000	0.000	0.000	0.000
192	A	195	ARG	1	0.960	0.978	48.594	-0.030	-0.030	0.000	0.000	0.000	0.000
193	A	196	PHE	0	0.031	0.011	48.204	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	197	TYR	0	0.044	0.000	40.400	0.000	0.000	0.000	0.000	0.000	0.000
195	A	198	ASP	-1	-0.801	-0.855	45.444	0.039	0.039	0.000	0.000	0.000	0.000
196	A	199	ALA	0	0.006	0.028	46.364	-0.002	-0.002	0.000	0.000	0.000	0.000
197	A	200	VAL	0	-0.045	-0.022	44.861	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	201	SER	0	-0.046	-0.038	41.438	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	202	THR	0	-0.039	-0.033	41.836	-0.003	-0.003	0.000	0.000	0.000	0.000
200	A	203	PHE	0	-0.045	-0.028	38.843	-0.005	-0.005	0.000	0.000	0.000	0.000
201	A	204	LYS	1	0.905	0.949	45.048	-0.018	-0.018	0.000	0.000	0.000	0.000
202	A	205	ILE	0	0.001	0.009	48.436	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	206	SER	0	0.009	0.002	45.994	0.004	0.004	0.000	0.000	0.000	0.000
204	A	207	LEU	0	0.056	0.023	47.280	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	208	PRO	0	0.022	0.019	47.306	0.002	0.002	0.000	0.000	0.000	0.000
206	A	209	THR	0	0.015	-0.018	43.867	0.002	0.002	0.000	0.000	0.000	0.000
207	A	210	PRO	0	0.028	0.029	45.726	0.004	0.004	0.000	0.000	0.000	0.000
208	A	211	ILE	0	0.065	0.042	47.529	0.003	0.003	0.000	0.000	0.000	0.000
209	A	212	MET	0	-0.019	-0.003	43.478	0.002	0.002	0.000	0.000	0.000	0.000
210	A	213	SER	0	-0.072	-0.033	42.331	0.005	0.005	0.000	0.000	0.000	0.000
211	A	214	GLY	0	0.024	0.025	43.148	0.005	0.005	0.000	0.000	0.000	0.000
212	A	215	VAL	0	0.016	0.028	45.877	0.002	0.002	0.000	0.000	0.000	0.000
213	A	216	ARG	1	0.869	0.908	40.218	-0.090	-0.090	0.000	0.000	0.000	0.000
214	A	217	THR	0	-0.064	-0.032	42.534	0.004	0.004	0.000	0.000	0.000	0.000
215	A	218	PRO	0	0.028	0.005	44.678	-0.004	-0.004	0.000	0.000	0.000	0.000
216	A	219	THR	0	-0.071	-0.006	47.584	-0.004	-0.004	0.000	0.000	0.000	0.000
217	A	220	ARG	1	0.894	0.925	49.388	-0.075	-0.075	0.000	0.000	0.000	0.000
218	A	221	GLN	0	-0.018	0.003	51.234	-0.004	-0.004	0.000	0.000	0.000	0.000
219	A	222	PHE	0	0.014	0.000	48.755	0.002	0.002	0.000	0.000	0.000	0.000
220	A	223	SER	0	0.006	-0.011	52.889	-0.003	-0.003	0.000	0.000	0.000	0.000
221	A	224	SER	0	-0.010	-0.007	52.350	0.001	0.001	0.000	0.000	0.000	0.000
222	A	225	CYS	0	-0.056	-0.023	54.386	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	226	VAL	0	0.007	0.019	57.508	0.000	0.000	0.000	0.000	0.000	0.000
224	A	227	LEU	0	-0.038	-0.018	61.007	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	228	ILE	0	0.012	-0.005	62.966	0.000	0.000	0.000	0.000	0.000	0.000
226	A	229	GLU	-1	-0.718	-0.823	66.737	0.026	0.026	0.000	0.000	0.000	0.000
227	A	230	CYS	0	-0.067	-0.022	70.110	0.001	0.001	0.000	0.000	0.000	0.000
228	A	231	GLY	0	0.052	0.011	71.790	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	232	ASP	-1	-0.797	-0.882	75.372	0.025	0.025	0.000	0.000	0.000	0.000
230	A	233	SER	0	0.021	-0.008	76.630	0.000	0.000	0.000	0.000	0.000	0.000
231	A	234	LEU	0	-0.006	-0.014	75.177	0.001	0.001	0.000	0.000	0.000	0.000
232	A	235	ASP	-1	-0.853	-0.916	73.854	0.035	0.035	0.000	0.000	0.000	0.000
233	A	236	SER	0	-0.027	-0.011	73.122	0.001	0.001	0.000	0.000	0.000	0.000
234	A	237	ILE	0	-0.016	-0.003	70.297	0.001	0.001	0.000	0.000	0.000	0.000
235	A	238	ASN	0	0.003	-0.002	69.387	0.002	0.002	0.000	0.000	0.000	0.000
236	A	239	ALA	0	0.008	0.021	68.437	0.002	0.002	0.000	0.000	0.000	0.000
237	A	240	THR	0	-0.005	-0.014	66.964	0.001	0.001	0.000	0.000	0.000	0.000
238	A	241	SER	0	-0.026	-0.039	65.089	0.002	0.002	0.000	0.000	0.000	0.000
239	A	242	SER	0	-0.018	-0.023	63.632	0.002	0.002	0.000	0.000	0.000	0.000
240	A	243	ALA	0	0.005	0.001	62.930	0.002	0.002	0.000	0.000	0.000	0.000
241	A	244	ILE	0	-0.013	-0.007	60.420	0.001	0.001	0.000	0.000	0.000	0.000
242	A	245	VAL	0	-0.010	0.003	58.749	0.002	0.002	0.000	0.000	0.000	0.000
243	A	246	LYS	1	0.927	0.968	57.867	-0.050	-0.050	0.000	0.000	0.000	0.000
244	A	247	TYR	0	0.086	0.048	57.136	0.002	0.002	0.000	0.000	0.000	0.000
245	A	248	VAL	0	-0.064	-0.030	55.075	0.002	0.002	0.000	0.000	0.000	0.000
246	A	249	SER	0	-0.065	-0.047	53.425	0.003	0.003	0.000	0.000	0.000	0.000
247	A	250	GLN	0	-0.021	-0.003	52.158	0.002	0.002	0.000	0.000	0.000	0.000
248	A	251	ARG	1	0.854	0.922	45.614	-0.074	-0.074	0.000	0.000	0.000	0.000
249	A	252	ALA	0	0.014	0.022	51.779	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	253	GLY	0	-0.057	-0.021	54.464	0.000	0.000	0.000	0.000	0.000	0.000
251	A	254	ILE	0	-0.022	-0.027	55.931	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	255	GLY	0	0.009	0.014	59.700	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	256	ILE	0	0.008	0.005	62.404	0.001	0.001	0.000	0.000	0.000	0.000
254	A	257	ASN	0	0.027	0.028	65.665	-0.001	-0.001	0.000	0.000	0.000	0.000
255	A	258	ALA	0	0.052	0.017	69.207	0.001	0.001	0.000	0.000	0.000	0.000
256	A	259	GLY	0	0.007	-0.003	70.924	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	260	ARG	1	0.708	0.826	73.544	-0.025	-0.025	0.000	0.000	0.000	0.000
258	A	261	ILE	0	-0.027	-0.001	72.242	0.000	0.000	0.000	0.000	0.000	0.000
259	A	262	ARG	1	0.769	0.862	76.220	-0.026	-0.026	0.000	0.000	0.000	0.000
260	A	263	ALA	0	0.016	0.001	78.014	0.001	0.001	0.000	0.000	0.000	0.000
261	A	264	LEU	0	-0.010	-0.009	77.325	0.000	0.000	0.000	0.000	0.000	0.000
262	A	265	GLY	0	-0.003	0.008	79.501	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	266	SER	0	-0.005	-0.005	82.487	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	267	PRO	0	-0.022	-0.001	84.185	0.001	0.001	0.000	0.000	0.000	0.000
265	A	268	ILE	0	0.009	-0.003	84.284	0.001	0.001	0.000	0.000	0.000	0.000
266	A	269	ARG	1	0.904	0.954	83.410	-0.023	-0.023	0.000	0.000	0.000	0.000
267	A	270	GLY	0	0.044	0.028	85.733	0.000	0.000	0.000	0.000	0.000	0.000
268	A	271	GLY	0	-0.005	-0.003	84.547	0.000	0.000	0.000	0.000	0.000	0.000
269	A	272	GLU	-1	-0.788	-0.892	79.616	0.029	0.029	0.000	0.000	0.000	0.000
270	A	273	ALA	0	-0.001	-0.006	78.756	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	274	PHE	0	0.064	0.017	76.182	0.001	0.001	0.000	0.000	0.000	0.000
272	A	275	HIS	0	-0.089	-0.036	79.335	0.000	0.000	0.000	0.000	0.000	0.000
273	A	276	THR	0	0.037	0.006	76.177	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	277	GLY	0	0.008	0.017	76.306	0.000	0.000	0.000	0.000	0.000	0.000
275	A	278	CYS	0	-0.055	-0.026	72.455	0.001	0.001	0.000	0.000	0.000	0.000
276	A	279	ILE	0	0.015	0.009	68.816	0.001	0.001	0.000	0.000	0.000	0.000
277	A	280	PRO	0	-0.012	-0.011	69.065	0.001	0.001	0.000	0.000	0.000	0.000
278	A	281	PHE	0	0.045	0.027	68.994	0.002	0.002	0.000	0.000	0.000	0.000
279	A	282	TYR	0	0.019	-0.004	66.955	0.001	0.001	0.000	0.000	0.000	0.000
280	A	283	LYS	1	0.805	0.884	63.372	-0.033	-0.033	0.000	0.000	0.000	0.000
281	A	284	HIS	0	0.009	0.035	64.125	0.002	0.002	0.000	0.000	0.000	0.000
282	A	285	PHE	0	0.070	0.032	64.069	0.002	0.002	0.000	0.000	0.000	0.000
283	A	286	GLN	0	0.036	0.014	59.654	0.000	0.000	0.000	0.000	0.000	0.000
284	A	287	THR	0	-0.096	-0.073	59.700	0.002	0.002	0.000	0.000	0.000	0.000
285	A	288	ALA	0	0.045	0.031	59.639	0.002	0.002	0.000	0.000	0.000	0.000
286	A	289	VAL	0	0.002	0.000	56.904	0.002	0.002	0.000	0.000	0.000	0.000
287	A	290	LYS	1	0.770	0.876	53.484	-0.047	-0.047	0.000	0.000	0.000	0.000
288	A	291	SER	0	-0.010	-0.002	55.053	0.003	0.003	0.000	0.000	0.000	0.000
289	A	292	CYS	0	-0.017	0.016	52.848	0.003	0.003	0.000	0.000	0.000	0.000
290	A	293	SER	0	-0.050	-0.030	49.966	0.003	0.003	0.000	0.000	0.000	0.000
291	A	294	GLN	0	-0.021	-0.034	45.581	-0.005	-0.005	0.000	0.000	0.000	0.000
292	A	295	GLY	0	0.026	0.029	48.484	0.002	0.002	0.000	0.000	0.000	0.000
293	A	296	GLY	0	0.026	0.028	50.735	-0.003	-0.003	0.000	0.000	0.000	0.000
294	A	297	VAL	0	-0.008	-0.001	49.754	-0.003	-0.003	0.000	0.000	0.000	0.000
295	A	298	ARG	1	0.939	0.965	42.838	-0.080	-0.080	0.000	0.000	0.000	0.000
296	A	299	GLY	0	0.024	-0.011	48.278	0.005	0.005	0.000	0.000	0.000	0.000
297	A	300	GLY	0	0.098	0.072	50.257	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	301	ALA	0	-0.038	-0.025	53.400	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	302	ALA	0	0.053	0.018	55.369	0.000	0.000	0.000	0.000	0.000	0.000
300	A	303	THR	0	0.000	0.017	58.909	0.000	0.000	0.000	0.000	0.000	0.000
301	A	304	LEU	0	-0.025	0.000	61.414	0.000	0.000	0.000	0.000	0.000	0.000
302	A	305	PHE	0	0.002	-0.011	63.456	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	306	TYR	0	0.045	0.006	67.938	0.000	0.000	0.000	0.000	0.000	0.000
304	A	307	PRO	0	0.022	0.031	71.558	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	308	MET	0	-0.019	-0.017	73.154	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	TRP	0	0.035	0.011	74.896	0.000	0.000	0.000	0.000	0.000	0.000
307	A	310	HIS	0	-0.003	0.001	75.607	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	311	LEU	0	0.010	-0.002	77.570	0.000	0.000	0.000	0.000	0.000	0.000
309	A	312	GLU	-1	-0.719	-0.859	74.572	0.024	0.024	0.000	0.000	0.000	0.000
310	A	313	VAL	0	-0.032	-0.009	73.046	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	GLU	-1	-0.869	-0.942	72.560	0.016	0.016	0.000	0.000	0.000	0.000
312	A	315	SER	0	-0.015	-0.019	71.994	0.000	0.000	0.000	0.000	0.000	0.000
313	A	316	LEU	0	-0.034	-0.022	69.749	0.001	0.001	0.000	0.000	0.000	0.000
314	A	317	LEU	0	0.005	0.007	68.080	0.001	0.001	0.000	0.000	0.000	0.000
315	A	318	VAL	0	-0.016	0.001	66.689	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	LEU	0	-0.028	0.004	65.236	0.001	0.001	0.000	0.000	0.000	0.000
317	A	320	LYS	1	0.825	0.891	57.873	-0.029	-0.029	0.000	0.000	0.000	0.000
318	A	321	ASN	0	-0.005	-0.009	60.746	0.001	0.001	0.000	0.000	0.000	0.000
319	A	322	ASN	0	-0.018	-0.009	58.249	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	ARG	1	0.927	0.957	61.122	-0.018	-0.018	0.000	0.000	0.000	0.000
321	A	324	GLY	0	0.033	0.019	64.271	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	325	VAL	0	0.043	0.032	66.051	0.001	0.001	0.000	0.000	0.000	0.000
323	A	326	GLU	-1	-0.702	-0.814	62.448	0.035	0.035	0.000	0.000	0.000	0.000
324	A	327	GLY	0	-0.024	-0.015	65.889	0.001	0.001	0.000	0.000	0.000	0.000
325	A	328	ASN	0	-0.041	-0.022	68.195	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	329	ARG	1	0.862	0.938	63.598	-0.025	-0.025	0.000	0.000	0.000	0.000
327	A	330	VAL	0	-0.005	0.010	62.770	0.002	0.002	0.000	0.000	0.000	0.000
328	A	331	ARG	1	0.860	0.898	58.287	-0.036	-0.036	0.000	0.000	0.000	0.000
329	A	332	HIS	0	-0.054	-0.022	55.129	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	333	MET	0	0.012	0.023	57.505	0.003	0.003	0.000	0.000	0.000	0.000
331	A	334	ASP	-1	-0.749	-0.809	57.325	0.031	0.031	0.000	0.000	0.000	0.000
332	A	335	TYR	0	0.009	-0.018	60.472	0.001	0.001	0.000	0.000	0.000	0.000
333	A	336	GLY	0	0.034	0.018	64.022	-0.001	-0.001	0.000	0.000	0.000	0.000
334	A	337	VAL	0	-0.004	0.002	65.894	0.000	0.000	0.000	0.000	0.000	0.000
335	A	338	GLN	0	-0.047	-0.031	69.247	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	339	ILE	0	-0.021	-0.023	70.592	0.000	0.000	0.000	0.000	0.000	0.000
337	A	340	ASN	0	0.034	0.005	73.842	0.000	0.000	0.000	0.000	0.000	0.000
338	A	341	LYS	1	1.039	1.009	76.545	-0.010	-0.010	0.000	0.000	0.000	0.000
339	A	342	LEU	0	0.005	0.034	78.928	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	343	MET	0	0.003	0.008	76.845	0.000	0.000	0.000	0.000	0.000	0.000
341	A	344	TYR	0	0.033	-0.019	71.654	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	345	THR	0	-0.052	-0.034	77.887	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	346	ARG	1	0.804	0.872	81.271	-0.012	-0.012	0.000	0.000	0.000	0.000
344	A	347	LEU	0	-0.025	-0.011	74.955	0.000	0.000	0.000	0.000	0.000	0.000
345	A	348	LEU	0	-0.053	-0.032	77.650	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	349	LYS	1	0.793	0.894	80.641	-0.009	-0.009	0.000	0.000	0.000	0.000
347	A	350	GLY	0	-0.015	0.007	82.189	0.000	0.000	0.000	0.000	0.000	0.000
348	A	351	GLU	-1	-0.848	-0.913	83.219	0.009	0.009	0.000	0.000	0.000	0.000
349	A	352	ASP	-1	-0.845	-0.940	82.982	0.011	0.011	0.000	0.000	0.000	0.000
350	A	353	ILE	0	-0.049	-0.021	78.512	0.000	0.000	0.000	0.000	0.000	0.000
351	A	354	THR	0	-0.028	-0.023	82.440	0.000	0.000	0.000	0.000	0.000	0.000
352	A	355	LEU	0	-0.018	0.013	78.846	0.000	0.000	0.000	0.000	0.000	0.000
353	A	356	PHE	0	0.048	0.000	81.436	0.000	0.000	0.000	0.000	0.000	0.000
354	A	357	SER	0	0.021	0.026	80.681	0.001	0.001	0.000	0.000	0.000	0.000
355	A	358	PRO	0	0.004	0.000	77.912	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	359	SER	0	-0.029	-0.030	81.081	0.000	0.000	0.000	0.000	0.000	0.000
357	A	360	ASP	-1	-0.843	-0.894	83.483	0.019	0.019	0.000	0.000	0.000	0.000
358	A	361	VAL	0	-0.001	0.003	83.956	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	362	PRO	0	0.043	0.026	85.455	0.000	0.000	0.000	0.000	0.000	0.000
360	A	363	GLY	0	0.021	0.015	85.659	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	364	LEU	0	-0.031	-0.006	82.178	0.000	0.000	0.000	0.000	0.000	0.000
362	A	365	TYR	0	0.022	0.003	74.131	0.000	0.000	0.000	0.000	0.000	0.000
363	A	366	ASP	-1	-0.737	-0.854	78.940	0.022	0.022	0.000	0.000	0.000	0.000
364	A	367	ALA	0	0.034	0.033	80.008	0.000	0.000	0.000	0.000	0.000	0.000
365	A	368	PHE	0	-0.034	-0.012	74.932	0.000	0.000	0.000	0.000	0.000	0.000
366	A	369	PHE	0	-0.042	-0.010	72.881	0.000	0.000	0.000	0.000	0.000	0.000
367	A	370	ALA	0	-0.002	-0.010	77.278	0.000	0.000	0.000	0.000	0.000	0.000
368	A	371	ASP	-1	-0.850	-0.922	79.749	0.014	0.014	0.000	0.000	0.000	0.000
369	A	372	GLN	0	0.026	0.000	78.408	0.000	0.000	0.000	0.000	0.000	0.000
370	A	373	GLU	-1	-0.891	-0.945	82.719	0.012	0.012	0.000	0.000	0.000	0.000
371	A	374	GLU	-1	-0.773	-0.849	86.067	0.014	0.014	0.000	0.000	0.000	0.000
372	A	375	PHE	0	-0.037	-0.018	81.225	0.000	0.000	0.000	0.000	0.000	0.000
373	A	376	GLU	-1	-0.916	-0.964	84.696	0.011	0.011	0.000	0.000	0.000	0.000
374	A	377	ARG	1	0.814	0.889	86.488	-0.014	-0.014	0.000	0.000	0.000	0.000
375	A	378	LEU	0	-0.040	-0.017	86.541	0.000	0.000	0.000	0.000	0.000	0.000
376	A	379	TYR	0	-0.005	-0.019	82.531	0.000	0.000	0.000	0.000	0.000	0.000
377	A	380	THR	0	-0.062	-0.053	86.957	0.000	0.000	0.000	0.000	0.000	0.000
378	A	381	LYS	1	0.952	0.989	89.836	-0.014	-0.014	0.000	0.000	0.000	0.000
379	A	382	TYR	0	0.014	-0.025	87.527	0.000	0.000	0.000	0.000	0.000	0.000
380	A	383	GLU	-1	-0.826	-0.880	87.201	0.012	0.012	0.000	0.000	0.000	0.000
381	A	384	LYS	1	0.838	0.910	89.959	-0.011	-0.011	0.000	0.000	0.000	0.000
382	A	385	ASP	-1	-0.819	-0.879	92.947	0.014	0.014	0.000	0.000	0.000	0.000
383	A	386	ASP	-1	-0.878	-0.943	93.042	0.012	0.012	0.000	0.000	0.000	0.000
384	A	387	SER	0	-0.120	-0.062	93.854	0.000	0.000	0.000	0.000	0.000	0.000
385	A	388	ILE	0	-0.030	-0.003	88.278	0.001	0.001	0.000	0.000	0.000	0.000
386	A	389	ARG	1	0.808	0.886	82.300	-0.020	-0.020	0.000	0.000	0.000	0.000
387	A	390	LYS	1	0.806	0.896	85.657	-0.014	-0.014	0.000	0.000	0.000	0.000
388	A	391	GLN	0	-0.023	0.002	80.363	0.000	0.000	0.000	0.000	0.000	0.000
389	A	392	ARG	1	0.850	0.911	84.254	-0.012	-0.012	0.000	0.000	0.000	0.000
390	A	393	VAL	0	0.028	0.028	78.966	0.000	0.000	0.000	0.000	0.000	0.000
391	A	394	LYS	1	0.887	0.936	81.145	-0.010	-0.010	0.000	0.000	0.000	0.000
392	A	395	ALA	0	0.022	0.013	79.000	0.000	0.000	0.000	0.000	0.000	0.000
393	A	396	VAL	0	0.050	0.011	77.098	0.000	0.000	0.000	0.000	0.000	0.000
394	A	397	GLU	-1	-0.815	-0.876	75.679	0.010	0.010	0.000	0.000	0.000	0.000
395	A	398	LEU	0	0.026	0.026	74.473	0.000	0.000	0.000	0.000	0.000	0.000
396	A	399	PHE	0	0.032	-0.004	72.360	0.001	0.001	0.000	0.000	0.000	0.000
397	A	400	SER	0	-0.024	-0.031	71.232	0.000	0.000	0.000	0.000	0.000	0.000
398	A	401	LEU	0	-0.016	0.001	69.984	0.000	0.000	0.000	0.000	0.000	0.000
399	A	402	MET	0	0.012	0.007	68.314	0.001	0.001	0.000	0.000	0.000	0.000
400	A	403	MET	0	-0.012	-0.009	65.899	0.001	0.001	0.000	0.000	0.000	0.000
401	A	404	GLN	0	-0.079	-0.040	65.571	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	405	GLU	-1	-0.737	-0.846	64.449	0.019	0.019	0.000	0.000	0.000	0.000
403	A	406	ARG	1	0.764	0.887	60.851	-0.015	-0.015	0.000	0.000	0.000	0.000
404	A	407	ALA	0	-0.034	-0.018	61.090	0.000	0.000	0.000	0.000	0.000	0.000
405	A	408	SER	0	-0.072	-0.044	60.111	0.000	0.000	0.000	0.000	0.000	0.000
406	A	409	THR	0	-0.032	-0.034	58.417	0.001	0.001	0.000	0.000	0.000	0.000
407	A	410	GLY	0	0.019	0.023	57.034	0.001	0.001	0.000	0.000	0.000	0.000
408	A	411	ARG	1	0.773	0.856	52.591	-0.031	-0.031	0.000	0.000	0.000	0.000
409	A	412	ILE	0	0.013	0.017	59.105	0.001	0.001	0.000	0.000	0.000	0.000
410	A	413	TYR	0	-0.046	-0.050	57.629	-0.002	-0.002	0.000	0.000	0.000	0.000
411	A	414	ILE	0	-0.002	0.006	63.800	0.000	0.000	0.000	0.000	0.000	0.000
412	A	415	GLN	0	0.016	-0.018	65.958	0.001	0.001	0.000	0.000	0.000	0.000
413	A	416	ASN	0	0.001	0.010	68.372	0.000	0.000	0.000	0.000	0.000	0.000
414	A	417	VAL	0	0.047	0.019	71.336	0.000	0.000	0.000	0.000	0.000	0.000
415	A	418	ASP	-1	-0.695	-0.814	73.065	0.014	0.014	0.000	0.000	0.000	0.000
416	A	419	HIS	0	-0.062	-0.012	71.148	0.000	0.000	0.000	0.000	0.000	0.000
417	A	420	CYS	0	-0.073	-0.035	69.662	0.000	0.000	0.000	0.000	0.000	0.000
418	A	421	ASN	0	-0.050	-0.040	71.560	0.001	0.001	0.000	0.000	0.000	0.000
419	A	422	THR	0	-0.023	-0.023	74.964	0.000	0.000	0.000	0.000	0.000	0.000
420	A	423	HIS	0	-0.034	0.006	69.760	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	424	SER	0	-0.002	-0.003	71.574	0.001	0.001	0.000	0.000	0.000	0.000
422	A	425	PRO	0	0.028	0.037	68.644	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	426	PHE	0	0.028	0.006	68.979	0.001	0.001	0.000	0.000	0.000	0.000
424	A	427	ASP	-1	-0.770	-0.869	74.264	0.017	0.017	0.000	0.000	0.000	0.000
425	A	428	PRO	0	0.016	0.001	77.582	0.001	0.001	0.000	0.000	0.000	0.000
426	A	429	ALA	0	-0.021	-0.013	78.482	0.000	0.000	0.000	0.000	0.000	0.000
427	A	430	ILE	0	-0.075	-0.030	78.745	0.000	0.000	0.000	0.000	0.000	0.000
428	A	431	ALA	0	-0.007	-0.009	74.498	0.001	0.001	0.000	0.000	0.000	0.000
429	A	432	PRO	0	-0.003	0.012	74.678	0.000	0.000	0.000	0.000	0.000	0.000
430	A	433	VAL	0	0.002	0.008	69.334	0.001	0.001	0.000	0.000	0.000	0.000
431	A	434	ARG	1	0.851	0.902	71.755	-0.025	-0.025	0.000	0.000	0.000	0.000
432	A	435	GLN	0	-0.060	-0.043	65.555	0.000	0.000	0.000	0.000	0.000	0.000
433	A	436	SER	0	0.026	0.016	63.604	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	437	ASN	0	0.022	-0.029	58.403	0.000	0.000	0.000	0.000	0.000	0.000
435	A	438	LEU	0	-0.020	-0.013	54.138	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	439	CYS	0	-0.061	-0.043	54.932	0.000	0.000	0.000	0.000	0.000	0.000
437	A	440	LEU	0	0.020	0.031	57.505	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	441	GLU	-1	-0.742	-0.842	56.684	0.030	0.030	0.000	0.000	0.000	0.000
439	A	442	ILE	0	-0.036	-0.017	58.846	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	443	ALA	0	-0.008	-0.008	62.128	0.000	0.000	0.000	0.000	0.000	0.000
441	A	444	LEU	0	0.009	0.005	63.946	0.000	0.000	0.000	0.000	0.000	0.000
442	A	445	PRO	0	-0.018	0.009	67.857	0.000	0.000	0.000	0.000	0.000	0.000
443	A	446	THR	0	-0.030	-0.026	68.422	0.001	0.001	0.000	0.000	0.000	0.000
444	A	447	LYS	1	0.862	0.918	71.121	-0.030	-0.030	0.000	0.000	0.000	0.000
445	A	448	PRO	0	-0.032	-0.005	72.408	0.001	0.001	0.000	0.000	0.000	0.000
446	A	449	LEU	0	-0.021	0.012	68.655	0.000	0.000	0.000	0.000	0.000	0.000
447	A	450	ASN	0	-0.061	-0.050	73.080	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	451	ASP	-1	-0.744	-0.871	71.815	0.040	0.040	0.000	0.000	0.000	0.000
449	A	452	VAL	0	-0.042	-0.035	65.896	0.000	0.000	0.000	0.000	0.000	0.000
450	A	453	ASN	0	-0.097	-0.070	67.801	0.002	0.002	0.000	0.000	0.000	0.000
451	A	454	ASP	-1	-0.777	-0.871	69.871	0.032	0.032	0.000	0.000	0.000	0.000
452	A	455	GLU	-1	-0.856	-0.937	70.876	0.039	0.039	0.000	0.000	0.000	0.000
453	A	456	ASN	0	-0.046	-0.026	73.241	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	457	GLY	0	0.035	0.028	72.669	-0.001	-0.001	0.000	0.000	0.000	0.000
455	A	458	GLU	-1	-0.889	-0.945	69.946	0.030	0.030	0.000	0.000	0.000	0.000
456	A	459	ILE	0	-0.042	-0.004	64.278	-0.001	-0.001	0.000	0.000	0.000	0.000
457	A	460	ALA	0	0.067	0.031	65.426	0.000	0.000	0.000	0.000	0.000	0.000
458	A	461	LEU	0	-0.030	-0.019	60.365	0.002	0.002	0.000	0.000	0.000	0.000
459	A	462	CYS	0	-0.050	0.003	60.023	-0.002	-0.002	0.000	0.000	0.000	0.000
460	A	463	THR	0	0.020	0.025	55.694	0.003	0.003	0.000	0.000	0.000	0.000
461	A	464	LEU	0	0.020	0.012	54.182	-0.002	-0.002	0.000	0.000	0.000	0.000
462	A	465	SER	0	-0.011	-0.029	52.226	0.004	0.004	0.000	0.000	0.000	0.000
463	A	466	ALA	0	-0.023	0.001	50.938	-0.002	-0.002	0.000	0.000	0.000	0.000
464	A	467	PHE	0	0.067	0.036	51.280	0.001	0.001	0.000	0.000	0.000	0.000
465	A	468	ASN	0	-0.008	-0.012	45.579	-0.004	-0.004	0.000	0.000	0.000	0.000
466	A	469	LEU	0	0.049	0.017	50.013	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	470	GLY	0	-0.023	-0.023	48.005	-0.003	-0.003	0.000	0.000	0.000	0.000
468	A	471	ALA	0	-0.014	0.000	46.669	-0.003	-0.003	0.000	0.000	0.000	0.000
469	A	472	ILE	0	-0.006	0.018	48.225	0.001	0.001	0.000	0.000	0.000	0.000
470	A	473	ASN	0	-0.093	-0.074	50.188	-0.004	-0.004	0.000	0.000	0.000	0.000
471	A	474	ASN	0	-0.009	-0.009	53.085	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	475	LEU	0	0.025	0.002	56.457	0.001	0.001	0.000	0.000	0.000	0.000
473	A	476	ASP	-1	-0.749	-0.833	58.894	0.009	0.009	0.000	0.000	0.000	0.000
474	A	477	GLU	-1	-0.738	-0.841	52.597	0.011	0.011	0.000	0.000	0.000	0.000
475	A	478	LEU	0	-0.055	-0.036	56.173	0.002	0.002	0.000	0.000	0.000	0.000
476	A	479	GLU	-1	-0.764	-0.849	58.128	0.019	0.019	0.000	0.000	0.000	0.000
477	A	480	GLU	-1	-0.904	-0.968	55.621	0.019	0.019	0.000	0.000	0.000	0.000
478	A	481	LEU	0	-0.038	-0.019	51.900	0.003	0.003	0.000	0.000	0.000	0.000
479	A	482	ALA	0	0.026	0.013	55.517	0.002	0.002	0.000	0.000	0.000	0.000
480	A	483	ILE	0	-0.010	-0.003	58.674	0.002	0.002	0.000	0.000	0.000	0.000
481	A	484	LEU	0	-0.047	-0.025	53.143	0.002	0.002	0.000	0.000	0.000	0.000
482	A	485	ALA	0	-0.009	-0.010	54.786	0.002	0.002	0.000	0.000	0.000	0.000
483	A	486	VAL	0	-0.008	-0.009	55.731	0.002	0.002	0.000	0.000	0.000	0.000
484	A	487	ARG	1	0.821	0.877	57.897	-0.030	-0.030	0.000	0.000	0.000	0.000
485	A	488	ALA	0	0.009	0.015	53.276	0.002	0.002	0.000	0.000	0.000	0.000
486	A	489	LEU	0	-0.042	-0.031	53.541	0.003	0.003	0.000	0.000	0.000	0.000
487	A	490	ASP	-1	-0.736	-0.840	56.611	0.037	0.037	0.000	0.000	0.000	0.000
488	A	491	ALA	0	0.045	0.026	56.654	0.001	0.001	0.000	0.000	0.000	0.000
489	A	492	LEU	0	-0.026	-0.011	53.011	0.002	0.002	0.000	0.000	0.000	0.000
490	A	493	LEU	0	-0.040	-0.004	56.390	0.002	0.002	0.000	0.000	0.000	0.000
491	A	494	ASP	-1	-0.800	-0.850	59.791	0.042	0.042	0.000	0.000	0.000	0.000
492	A	495	TYR	0	-0.055	-0.037	51.012	0.002	0.002	0.000	0.000	0.000	0.000
493	A	496	GLN	0	-0.018	0.003	55.419	0.004	0.004	0.000	0.000	0.000	0.000
494	A	497	ASP	-1	-0.892	-0.956	54.676	0.064	0.064	0.000	0.000	0.000	0.000
495	A	498	TYR	0	-0.046	-0.069	57.525	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	499	PRO	0	-0.049	-0.004	58.532	0.000	0.000	0.000	0.000	0.000	0.000
497	A	500	ILE	0	-0.015	-0.014	60.833	0.000	0.000	0.000	0.000	0.000	0.000
498	A	501	PRO	0	0.072	0.043	64.365	0.000	0.000	0.000	0.000	0.000	0.000
499	A	502	ALA	0	0.069	0.025	67.158	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	503	ALA	0	-0.034	-0.004	63.558	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	504	LYS	1	0.963	0.985	63.211	-0.047	-0.047	0.000	0.000	0.000	0.000
502	A	505	ARG	1	0.867	0.940	65.215	-0.033	-0.033	0.000	0.000	0.000	0.000
503	A	506	GLY	0	0.068	0.044	67.363	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	507	ALA	0	-0.045	-0.017	62.833	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	508	MET	0	-0.015	-0.023	63.050	0.000	0.000	0.000	0.000	0.000	0.000
506	A	509	GLY	0	0.035	0.026	66.709	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	510	ARG	1	0.760	0.860	67.847	-0.029	-0.029	0.000	0.000	0.000	0.000
508	A	511	ARG	1	0.760	0.850	62.733	-0.039	-0.039	0.000	0.000	0.000	0.000
509	A	512	THR	0	0.011	0.009	64.109	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	513	LEU	0	-0.004	0.007	59.205	0.002	0.002	0.000	0.000	0.000	0.000
511	A	514	GLY	0	0.037	-0.003	59.394	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	515	ILE	0	-0.045	-0.016	55.846	0.002	0.002	0.000	0.000	0.000	0.000
513	A	516	GLY	0	0.062	0.014	55.757	-0.002	-0.002	0.000	0.000	0.000	0.000
514	A	517	VAL	0	-0.038	-0.017	53.654	0.000	0.000	0.000	0.000	0.000	0.000
515	A	518	ILE	0	-0.036	-0.018	46.855	0.001	0.001	0.000	0.000	0.000	0.000
516	A	519	ASN	0	0.012	-0.006	45.665	-0.003	-0.003	0.000	0.000	0.000	0.000
517	A	520	PHE	0	0.016	0.028	49.253	-0.003	-0.003	0.000	0.000	0.000	0.000
518	A	521	ALA	0	0.046	0.025	49.807	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	522	TYR	0	-0.001	0.015	45.796	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	523	TYR	0	0.022	0.007	49.283	-0.002	-0.002	0.000	0.000	0.000	0.000
521	A	524	LEU	0	-0.002	0.004	52.293	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	525	ALA	0	0.025	0.017	49.922	-0.002	-0.002	0.000	0.000	0.000	0.000
523	A	526	LYS	1	0.839	0.919	49.462	-0.002	-0.002	0.000	0.000	0.000	0.000
524	A	527	HIS	0	-0.040	-0.010	51.417	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	528	GLY	0	-0.018	0.002	54.105	0.000	0.000	0.000	0.000	0.000	0.000
526	A	529	LYS	1	0.768	0.873	55.578	0.009	0.009	0.000	0.000	0.000	0.000
527	A	530	ARG	1	0.870	0.927	52.991	0.013	0.013	0.000	0.000	0.000	0.000
528	A	531	TYR	0	-0.001	-0.042	53.441	0.001	0.001	0.000	0.000	0.000	0.000
529	A	532	SER	0	-0.093	-0.087	58.292	0.000	0.000	0.000	0.000	0.000	0.000
530	A	533	ASP	-1	-0.804	-0.873	60.426	-0.007	-0.007	0.000	0.000	0.000	0.000
531	A	534	GLY	0	0.033	0.027	62.622	0.000	0.000	0.000	0.000	0.000	0.000
532	A	535	SER	0	-0.078	-0.067	60.463	0.000	0.000	0.000	0.000	0.000	0.000
533	A	536	ALA	0	0.024	0.007	59.186	0.000	0.000	0.000	0.000	0.000	0.000
534	A	537	ASN	0	-0.013	-0.005	61.204	0.002	0.002	0.000	0.000	0.000	0.000
535	A	538	ASN	0	0.045	0.000	64.657	0.002	0.002	0.000	0.000	0.000	0.000
536	A	539	LEU	0	-0.015	0.005	57.712	0.001	0.001	0.000	0.000	0.000	0.000
537	A	540	THR	0	0.018	-0.011	60.795	0.001	0.001	0.000	0.000	0.000	0.000
538	A	541	HIS	0	0.054	0.019	61.983	0.002	0.002	0.000	0.000	0.000	0.000
539	A	542	LYS	1	0.870	0.928	62.483	0.001	0.001	0.000	0.000	0.000	0.000
540	A	543	THR	0	-0.003	-0.005	57.947	0.000	0.000	0.000	0.000	0.000	0.000
541	A	544	PHE	0	0.009	-0.022	57.885	0.002	0.002	0.000	0.000	0.000	0.000
542	A	545	GLU	-1	-0.765	-0.848	62.697	0.009	0.009	0.000	0.000	0.000	0.000
543	A	546	ALA	0	0.025	0.011	61.651	0.001	0.001	0.000	0.000	0.000	0.000
544	A	547	ILE	0	-0.028	-0.015	58.026	0.001	0.001	0.000	0.000	0.000	0.000
545	A	548	GLN	0	0.025	0.030	61.393	0.002	0.002	0.000	0.000	0.000	0.000
546	A	549	TYR	0	-0.032	-0.014	64.568	0.001	0.001	0.000	0.000	0.000	0.000
547	A	550	TYR	0	-0.038	-0.047	61.711	0.001	0.001	0.000	0.000	0.000	0.000
548	A	551	LEU	0	-0.039	-0.016	59.335	0.002	0.002	0.000	0.000	0.000	0.000
549	A	552	LEU	0	-0.010	0.000	62.998	0.001	0.001	0.000	0.000	0.000	0.000
550	A	553	LYS	1	0.857	0.911	65.040	-0.016	-0.016	0.000	0.000	0.000	0.000
551	A	554	ALA	0	-0.017	-0.006	61.937	0.001	0.001	0.000	0.000	0.000	0.000
552	A	555	SER	0	0.019	-0.008	63.995	0.001	0.001	0.000	0.000	0.000	0.000
553	A	556	ASN	0	-0.028	-0.003	65.665	0.000	0.000	0.000	0.000	0.000	0.000
554	A	557	GLU	-1	-0.846	-0.914	65.724	0.020	0.020	0.000	0.000	0.000	0.000
555	A	558	LEU	0	-0.013	-0.006	62.220	0.001	0.001	0.000	0.000	0.000	0.000
556	A	559	ALA	0	-0.015	-0.001	65.966	0.001	0.001	0.000	0.000	0.000	0.000
557	A	560	LYS	1	0.781	0.883	69.405	-0.019	-0.019	0.000	0.000	0.000	0.000
558	A	561	GLU	-1	-0.851	-0.869	63.799	0.031	0.031	0.000	0.000	0.000	0.000
559	A	562	GLN	0	-0.073	-0.051	62.160	0.002	0.002	0.000	0.000	0.000	0.000
560	A	563	GLY	0	0.010	0.024	67.933	0.001	0.001	0.000	0.000	0.000	0.000
561	A	564	ALA	0	0.015	-0.005	69.049	0.001	0.001	0.000	0.000	0.000	0.000
562	A	565	CYS	0	-0.072	-0.013	68.532	0.001	0.001	0.000	0.000	0.000	0.000
563	A	566	PRO	0	-0.012	-0.013	69.864	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	567	TRP	0	-0.020	-0.005	71.599	0.000	0.000	0.000	0.000	0.000	0.000
565	A	568	PHE	0	0.083	0.054	72.400	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	569	ASN	0	-0.025	-0.007	74.111	0.000	0.000	0.000	0.000	0.000	0.000
567	A	570	GLU	-1	-0.861	-0.910	75.264	0.024	0.024	0.000	0.000	0.000	0.000
568	A	571	THR	0	-0.046	-0.038	72.410	0.000	0.000	0.000	0.000	0.000	0.000
569	A	572	THR	0	-0.040	-0.043	74.580	0.000	0.000	0.000	0.000	0.000	0.000
570	A	573	TYR	0	0.032	-0.018	68.994	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	574	ALA	0	-0.015	-0.003	75.118	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	575	LYS	1	0.828	0.895	77.459	-0.018	-0.018	0.000	0.000	0.000	0.000
573	A	576	GLY	0	-0.009	-0.003	78.276	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	577	ILE	0	-0.040	-0.002	76.966	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	578	LEU	0	0.021	0.001	72.796	0.001	0.001	0.000	0.000	0.000	0.000
576	A	579	PRO	0	0.029	0.021	69.615	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	580	ILE	0	0.007	-0.014	71.581	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	581	ASP	-1	-0.782	-0.855	73.710	0.011	0.011	0.000	0.000	0.000	0.000
579	A	582	THR	0	-0.033	-0.048	74.128	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	583	TYR	0	-0.108	-0.052	72.155	0.000	0.000	0.000	0.000	0.000	0.000
581	A	584	LYS	1	0.837	0.894	72.867	-0.009	-0.009	0.000	0.000	0.000	0.000
582	A	585	LYS	1	0.911	0.941	74.107	-0.009	-0.009	0.000	0.000	0.000	0.000
583	A	586	ASP	-1	-0.798	-0.867	74.241	0.006	0.006	0.000	0.000	0.000	0.000
584	A	587	LEU	0	0.002	0.015	69.132	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	588	ASP	-1	-0.805	-0.871	71.947	0.005	0.005	0.000	0.000	0.000	0.000
586	A	589	THR	0	-0.126	-0.079	74.464	-0.001	-0.001	0.000	0.000	0.000	0.000
587	A	590	ILE	0	-0.046	-0.009	68.170	-0.001	-0.001	0.000	0.000	0.000	0.000
588	A	591	ALA	0	0.002	0.002	68.269	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	592	ASN	0	0.009	0.006	70.127	0.001	0.001	0.000	0.000	0.000	0.000
590	A	593	GLU	-1	-0.799	-0.872	66.931	0.000	0.000	0.000	0.000	0.000	0.000
591	A	594	PRO	0	-0.040	-0.006	70.045	0.001	0.001	0.000	0.000	0.000	0.000
592	A	595	LEU	0	-0.012	-0.014	70.492	0.000	0.000	0.000	0.000	0.000	0.000
593	A	596	HIS	1	0.758	0.851	66.899	-0.004	-0.004	0.000	0.000	0.000	0.000
594	A	597	TYR	0	-0.028	-0.017	63.563	0.000	0.000	0.000	0.000	0.000	0.000
595	A	598	ASP	-1	-0.819	-0.905	70.109	0.009	0.009	0.000	0.000	0.000	0.000
596	A	599	TRP	0	0.009	-0.044	68.078	0.002	0.002	0.000	0.000	0.000	0.000
597	A	600	GLU	-1	-0.815	-0.863	73.593	0.011	0.011	0.000	0.000	0.000	0.000
598	A	601	ALA	0	0.015	0.002	74.787	0.001	0.001	0.000	0.000	0.000	0.000
599	A	602	LEU	0	-0.041	-0.010	69.719	0.001	0.001	0.000	0.000	0.000	0.000
600	A	603	ARG	1	0.705	0.793	73.593	-0.011	-0.011	0.000	0.000	0.000	0.000
601	A	604	GLU	-1	-0.780	-0.877	76.364	0.014	0.014	0.000	0.000	0.000	0.000
602	A	605	SER	0	-0.008	-0.011	72.980	0.001	0.001	0.000	0.000	0.000	0.000
603	A	606	ILE	0	-0.004	-0.004	71.085	0.001	0.001	0.000	0.000	0.000	0.000
604	A	607	LYS	1	0.778	0.873	74.581	-0.013	-0.013	0.000	0.000	0.000	0.000
605	A	608	THR	0	-0.073	-0.034	77.825	0.000	0.000	0.000	0.000	0.000	0.000
606	A	609	HIS	0	-0.078	-0.049	73.680	0.000	0.000	0.000	0.000	0.000	0.000
607	A	610	GLY	0	0.021	0.019	73.490	0.001	0.001	0.000	0.000	0.000	0.000
608	A	611	LEU	0	-0.014	-0.013	68.524	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	612	ARG	1	0.830	0.911	63.837	-0.033	-0.033	0.000	0.000	0.000	0.000
610	A	613	ASN	0	-0.024	-0.028	63.398	0.000	0.000	0.000	0.000	0.000	0.000
611	A	614	SER	0	-0.021	-0.029	66.610	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	615	THR	0	-0.055	-0.041	64.086	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	616	LEU	0	-0.008	0.000	62.649	0.002	0.002	0.000	0.000	0.000	0.000
614	A	617	SER	0	-0.005	-0.008	60.947	0.001	0.001	0.000	0.000	0.000	0.000
615	A	618	ALA	0	-0.006	-0.015	59.554	0.000	0.000	0.000	0.000	0.000	0.000
616	A	619	LEU	0	-0.048	-0.010	57.269	0.001	0.001	0.000	0.000	0.000	0.000
617	A	620	MET	0	0.018	0.031	53.059	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	621	PRO	0	-0.005	0.000	51.514	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	622	SER	0	-0.021	-0.037	47.603	0.001	0.001	0.000	0.000	0.000	0.000
620	A	623	GLU	-1	-0.810	-0.907	43.389	0.033	0.033	0.000	0.000	0.000	0.000
621	A	624	THR	0	-0.023	0.003	41.172	0.001	0.001	0.000	0.000	0.000	0.000
622	A	625	SER	0	0.039	0.004	42.249	0.001	0.001	0.000	0.000	0.000	0.000
623	A	626	SER	0	0.058	0.044	44.007	0.000	0.000	0.000	0.000	0.000	0.000
624	A	627	GLN	0	0.024	0.014	38.090	0.001	0.001	0.000	0.000	0.000	0.000
625	A	628	ILE	0	-0.026	-0.018	38.686	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	629	SER	0	-0.007	-0.009	39.779	-0.001	-0.001	0.000	0.000	0.000	0.000
627	A	630	ASN	0	-0.036	-0.009	38.278	-0.003	-0.003	0.000	0.000	0.000	0.000
628	A	631	ALA	0	0.002	0.004	41.025	-0.005	-0.005	0.000	0.000	0.000	0.000
629	A	632	THR	0	0.030	-0.005	44.575	0.001	0.001	0.000	0.000	0.000	0.000
630	A	633	ASN	0	-0.018	-0.008	45.067	0.002	0.002	0.000	0.000	0.000	0.000
631	A	634	GLY	0	0.022	0.024	48.113	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	635	ILE	0	0.060	0.007	51.637	-0.002	-0.002	0.000	0.000	0.000	0.000
633	A	636	GLU	-1	-0.785	-0.842	51.144	0.011	0.011	0.000	0.000	0.000	0.000
634	A	637	PRO	0	0.009	0.025	50.925	0.000	0.000	0.000	0.000	0.000	0.000
635	A	638	PRO	0	-0.013	-0.003	45.972	0.002	0.002	0.000	0.000	0.000	0.000
636	A	639	ARG	1	0.925	0.942	46.257	-0.018	-0.018	0.000	0.000	0.000	0.000
637	A	640	GLY	0	0.021	0.010	44.322	-0.002	-0.002	0.000	0.000	0.000	0.000
638	A	641	TYR	0	0.001	-0.010	41.988	0.002	0.002	0.000	0.000	0.000	0.000
639	A	642	VAL	0	-0.006	-0.001	36.535	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	643	SER	0	-0.031	-0.003	39.104	0.002	0.002	0.000	0.000	0.000	0.000
641	A	644	ILE	0	0.000	-0.015	35.393	0.000	0.000	0.000	0.000	0.000	0.000
642	A	645	LYS	1	0.814	0.895	36.059	-0.033	-0.033	0.000	0.000	0.000	0.000
643	A	646	ALA	0	0.023	0.021	34.406	0.000	0.000	0.000	0.000	0.000	0.000
644	A	647	SER	0	-0.047	-0.043	31.557	0.007	0.007	0.000	0.000	0.000	0.000
645	A	648	LYS	1	0.948	0.961	29.707	-0.118	-0.118	0.000	0.000	0.000	0.000
646	A	649	ASP	-1	-0.783	-0.876	27.373	0.132	0.132	0.000	0.000	0.000	0.000
647	A	650	GLY	0	0.009	0.006	26.813	-0.005	-0.005	0.000	0.000	0.000	0.000
648	A	651	ILE	0	-0.027	-0.003	28.944	0.002	0.002	0.000	0.000	0.000	0.000
649	A	652	LEU	0	-0.005	0.009	30.769	-0.005	-0.005	0.000	0.000	0.000	0.000
650	A	653	ARG	1	0.850	0.911	28.652	-0.002	-0.002	0.000	0.000	0.000	0.000
651	A	654	GLN	0	-0.021	-0.016	33.875	0.007	0.007	0.000	0.000	0.000	0.000
652	A	655	VAL	0	-0.021	-0.002	35.644	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	656	VAL	0	-0.011	0.004	38.406	0.003	0.003	0.000	0.000	0.000	0.000
654	A	657	PRO	0	0.011	0.016	41.223	-0.004	-0.004	0.000	0.000	0.000	0.000
655	A	658	ASP	-1	-0.760	-0.866	41.571	-0.025	-0.025	0.000	0.000	0.000	0.000
656	A	659	TYR	0	0.066	0.047	39.614	0.001	0.001	0.000	0.000	0.000	0.000
657	A	660	GLU	-1	-0.865	-0.920	39.312	-0.047	-0.047	0.000	0.000	0.000	0.000
658	A	661	HIS	1	0.807	0.862	41.593	0.033	0.033	0.000	0.000	0.000	0.000
659	A	662	LEU	0	0.020	0.020	45.120	0.001	0.001	0.000	0.000	0.000	0.000
660	A	663	HIS	1	0.775	0.892	43.791	0.036	0.036	0.000	0.000	0.000	0.000
661	A	664	ASP	-1	-0.830	-0.902	46.011	-0.031	-0.031	0.000	0.000	0.000	0.000
662	A	665	ALA	0	-0.043	-0.010	49.423	0.001	0.001	0.000	0.000	0.000	0.000
663	A	666	TYR	0	-0.038	-0.053	45.163	0.004	0.004	0.000	0.000	0.000	0.000
664	A	667	GLU	-1	-0.750	-0.844	50.127	-0.007	-0.007	0.000	0.000	0.000	0.000
665	A	668	LEU	0	-0.058	-0.027	46.623	0.003	0.003	0.000	0.000	0.000	0.000
666	A	669	LEU	0	-0.055	-0.031	50.349	0.000	0.000	0.000	0.000	0.000	0.000
667	A	670	TRP	0	0.009	-0.013	49.550	0.001	0.001	0.000	0.000	0.000	0.000
668	A	671	GLU	-1	-0.846	-0.906	50.195	-0.014	-0.014	0.000	0.000	0.000	0.000
669	A	672	MET	0	-0.009	0.005	54.275	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	673	PRO	0	-0.037	-0.027	57.443	0.001	0.001	0.000	0.000	0.000	0.000
671	A	674	GLY	0	0.020	0.010	60.563	0.000	0.000	0.000	0.000	0.000	0.000
672	A	675	ASN	0	-0.024	-0.020	60.472	0.000	0.000	0.000	0.000	0.000	0.000
673	A	676	ASP	-1	-0.796	-0.866	62.288	0.003	0.003	0.000	0.000	0.000	0.000
674	A	677	GLY	0	0.037	0.037	62.588	0.000	0.000	0.000	0.000	0.000	0.000
675	A	678	TYR	0	0.003	-0.040	56.580	0.000	0.000	0.000	0.000	0.000	0.000
676	A	679	LEU	0	-0.033	-0.026	60.862	0.001	0.001	0.000	0.000	0.000	0.000
677	A	680	GLN	0	0.015	0.018	64.008	0.000	0.000	0.000	0.000	0.000	0.000
678	A	681	LEU	0	-0.021	0.008	59.090	0.001	0.001	0.000	0.000	0.000	0.000
679	A	682	VAL	0	0.034	0.011	60.514	0.001	0.001	0.000	0.000	0.000	0.000
680	A	683	GLY	0	0.015	0.006	62.866	0.001	0.001	0.000	0.000	0.000	0.000
681	A	684	ILE	0	-0.043	-0.027	64.872	0.001	0.001	0.000	0.000	0.000	0.000
682	A	685	MET	0	-0.046	-0.013	58.188	0.001	0.001	0.000	0.000	0.000	0.000
683	A	686	GLN	0	-0.025	-0.017	63.753	0.001	0.001	0.000	0.000	0.000	0.000
684	A	687	LYS	1	0.840	0.940	66.262	-0.006	-0.006	0.000	0.000	0.000	0.000
685	A	688	PHE	0	-0.004	-0.006	65.502	0.000	0.000	0.000	0.000	0.000	0.000
686	A	689	ILE	0	-0.049	-0.014	61.293	0.001	0.001	0.000	0.000	0.000	0.000
687	A	690	ASP	-1	-0.712	-0.829	65.124	0.021	0.021	0.000	0.000	0.000	0.000
688	A	691	GLN	0	0.030	-0.002	62.437	0.000	0.000	0.000	0.000	0.000	0.000
689	A	692	SER	0	0.004	-0.017	63.498	-0.002	-0.002	0.000	0.000	0.000	0.000
690	A	693	ILE	0	0.013	-0.008	59.229	0.001	0.001	0.000	0.000	0.000	0.000
691	A	694	SER	0	-0.007	-0.003	56.322	0.000	0.000	0.000	0.000	0.000	0.000
692	A	695	ALA	0	-0.034	-0.022	57.393	0.000	0.000	0.000	0.000	0.000	0.000
693	A	696	ASN	0	-0.010	-0.022	54.446	0.001	0.001	0.000	0.000	0.000	0.000
694	A	697	THR	0	-0.004	0.015	58.158	-0.001	-0.001	0.000	0.000	0.000	0.000
695	A	698	ASN	0	0.009	-0.005	55.694	0.002	0.002	0.000	0.000	0.000	0.000
696	A	699	TYR	0	-0.035	-0.046	57.374	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	700	ASP	-1	-0.745	-0.840	54.699	-0.002	-0.002	0.000	0.000	0.000	0.000
698	A	701	PRO	0	0.006	-0.010	56.184	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	702	SER	0	-0.054	-0.047	56.060	-0.001	-0.001	0.000	0.000	0.000	0.000
700	A	703	ARG	1	0.857	0.933	56.222	0.004	0.004	0.000	0.000	0.000	0.000
701	A	704	PHE	0	0.019	0.007	60.645	0.000	0.000	0.000	0.000	0.000	0.000
702	A	705	PRO	0	0.043	0.011	63.185	0.000	0.000	0.000	0.000	0.000	0.000
703	A	706	SER	0	-0.025	-0.020	64.103	0.001	0.001	0.000	0.000	0.000	0.000
704	A	707	GLY	0	0.027	0.031	60.866	0.001	0.001	0.000	0.000	0.000	0.000
705	A	708	LYS	1	0.866	0.930	61.092	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	709	VAL	0	0.038	0.025	61.123	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	710	PRO	0	-0.025	0.006	64.051	0.001	0.001	0.000	0.000	0.000	0.000
708	A	711	MET	0	0.059	0.024	67.893	0.000	0.000	0.000	0.000	0.000	0.000
709	A	712	GLN	0	0.024	0.012	69.494	0.001	0.001	0.000	0.000	0.000	0.000
710	A	713	GLN	0	-0.016	-0.017	65.377	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	714	LEU	0	-0.002	0.005	63.875	0.000	0.000	0.000	0.000	0.000	0.000
712	A	715	LEU	0	0.015	0.003	67.319	0.001	0.001	0.000	0.000	0.000	0.000
713	A	716	LYS	1	0.816	0.887	67.718	-0.003	-0.003	0.000	0.000	0.000	0.000
714	A	717	ASP	-1	-0.745	-0.837	64.807	0.005	0.005	0.000	0.000	0.000	0.000
715	A	718	LEU	0	-0.003	0.004	67.655	0.000	0.000	0.000	0.000	0.000	0.000
716	A	719	LEU	0	0.001	-0.001	68.919	0.000	0.000	0.000	0.000	0.000	0.000
717	A	720	THR	0	-0.041	-0.029	67.635	0.000	0.000	0.000	0.000	0.000	0.000
718	A	721	ALA	0	0.001	-0.002	66.602	0.000	0.000	0.000	0.000	0.000	0.000
719	A	722	TYR	0	-0.063	-0.048	68.319	0.000	0.000	0.000	0.000	0.000	0.000
720	A	723	LYS	1	0.887	0.932	71.661	-0.005	-0.005	0.000	0.000	0.000	0.000
721	A	724	PHE	0	0.020	0.001	68.904	0.000	0.000	0.000	0.000	0.000	0.000
722	A	725	GLY	0	0.030	0.015	69.983	0.000	0.000	0.000	0.000	0.000	0.000
723	A	726	VAL	0	-0.011	0.000	64.890	0.001	0.001	0.000	0.000	0.000	0.000
724	A	727	LYS	1	0.885	0.963	66.770	-0.018	-0.018	0.000	0.000	0.000	0.000
725	A	728	THR	0	-0.069	-0.033	63.078	0.000	0.000	0.000	0.000	0.000	0.000
726	A	729	LEU	0	0.006	0.005	62.607	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	730	TY2	0	0.092	0.058	53.134	0.002	0.002	0.000	0.000	0.000	0.000
728	A	731	TYR	0	-0.029	-0.021	51.786	0.000	0.000	0.000	0.000	0.000	0.000
729	A	732	GLN	0	0.052	0.032	57.387	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	733	ASN	0	-0.057	-0.025	52.923	0.002	0.002	0.000	0.000	0.000	0.000
731	A	734	THR	0	0.016	-0.002	55.326	-0.002	-0.002	0.000	0.000	0.000	0.000
732	A	735	ARG	1	0.840	0.923	49.324	0.005	0.005	0.000	0.000	0.000	0.000
733	A	736	ASP	-1	-0.919	-0.957	49.335	0.009	0.009	0.000	0.000	0.000	0.000
734	A	737	GLY	0	-0.017	-0.011	49.989	-0.002	-0.002	0.000	0.000	0.000	0.000

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