FMO DATABASE

FMODB ID: R8RM8

Calculation Name: 4AEF-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4AEF

Chain ID: A

ChEMBL ID:

UniProt ID: Q8TZP8

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	636
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16594438.939851
FMO2-HF: Nuclear repulsion	16334872.953575
FMO2-HF: Total energy	-259565.986276
FMO2-MP2: Total energy	-260336.164479

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:1:MET)

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

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.
-16.674	-12.021	23.744	-12.486	-15.913	-0.065

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.023 / q_NPA : 0.017

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	3	LYS	1	0.856	0.926	2.734	-3.616	0.912	1.184	-1.870	-3.843	0.008
4	A	4	LEU	0	0.018	0.011	4.482	-0.587	-0.510	-0.001	-0.014	-0.063	0.000
5	A	5	VAL	0	-0.043	-0.023	7.043	0.347	0.347	0.000	0.000	0.000	0.000
6	A	6	SER	0	-0.037	-0.016	9.513	0.070	0.070	0.000	0.000	0.000	0.000
7	A	7	PHE	0	0.034	0.000	13.310	-0.079	-0.079	0.000	0.000	0.000	0.000
8	A	8	ARG	1	0.866	0.945	15.817	0.376	0.376	0.000	0.000	0.000	0.000
9	A	9	ASP	-1	-0.823	-0.913	19.323	-0.110	-0.110	0.000	0.000	0.000	0.000
10	A	10	SER	0	-0.058	-0.029	21.843	-0.031	-0.031	0.000	0.000	0.000	0.000
11	A	11	GLU	-1	-0.885	-0.941	23.867	-0.171	-0.171	0.000	0.000	0.000	0.000
12	A	12	ILE	0	-0.018	-0.001	24.483	0.010	0.010	0.000	0.000	0.000	0.000
13	A	13	PHE	0	0.033	-0.015	21.759	0.002	0.002	0.000	0.000	0.000	0.000
14	A	14	GLY	0	0.054	0.040	23.261	0.007	0.007	0.000	0.000	0.000	0.000
15	A	15	ARG	1	0.736	0.819	19.286	0.110	0.110	0.000	0.000	0.000	0.000
16	A	16	VAL	0	-0.067	-0.030	17.134	-0.025	-0.025	0.000	0.000	0.000	0.000
17	A	17	ALA	0	0.052	0.031	12.730	0.054	0.054	0.000	0.000	0.000	0.000
18	A	18	GLU	-1	-0.818	-0.889	11.564	-0.581	-0.581	0.000	0.000	0.000	0.000
19	A	19	VAL	0	0.004	-0.009	7.087	0.160	0.160	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.804	-0.899	4.151	-1.157	-0.805	0.001	-0.046	-0.307	0.000
21	A	21	PHE	0	0.022	0.005	4.711	-0.720	-0.474	-0.001	-0.082	-0.163	0.000
22	A	22	SER	0	-0.022	-0.031	2.356	0.699	2.638	1.507	-1.237	-2.208	-0.004
23	A	23	LEU	0	0.042	0.045	1.884	-6.209	-8.981	8.883	-3.498	-2.613	-0.031
24	A	24	ILE	0	0.046	0.021	4.054	0.213	0.357	0.001	-0.046	-0.099	0.000
25	A	25	ARG	1	0.814	0.896	7.601	0.274	0.274	0.000	0.000	0.000	0.000
26	A	26	GLU	-1	-0.975	-0.986	10.553	-0.029	-0.029	0.000	0.000	0.000	0.000
27	A	27	GLY	0	0.035	0.020	12.508	-0.032	-0.032	0.000	0.000	0.000	0.000
28	A	28	SER	0	-0.115	-0.096	14.642	0.045	0.045	0.000	0.000	0.000	0.000
29	A	29	TYR	0	-0.099	-0.070	15.138	0.046	0.046	0.000	0.000	0.000	0.000
30	A	30	ALA	0	0.055	0.031	10.114	-0.028	-0.028	0.000	0.000	0.000	0.000
31	A	31	TYR	0	-0.087	-0.059	11.592	0.104	0.104	0.000	0.000	0.000	0.000
32	A	32	LEU	0	0.027	0.025	7.596	-0.148	-0.148	0.000	0.000	0.000	0.000
33	A	33	LEU	0	-0.088	-0.030	10.063	0.335	0.335	0.000	0.000	0.000	0.000
34	A	34	GLY	0	0.115	0.024	10.700	-0.258	-0.258	0.000	0.000	0.000	0.000
35	A	35	ASP	-1	-0.768	-0.855	13.049	-0.672	-0.672	0.000	0.000	0.000	0.000
36	A	36	PHE	0	0.022	0.011	10.588	0.120	0.120	0.000	0.000	0.000	0.000
37	A	37	ASN	0	-0.039	-0.028	14.479	0.029	0.029	0.000	0.000	0.000	0.000
38	A	38	ALA	0	-0.002	0.007	17.513	0.024	0.024	0.000	0.000	0.000	0.000
39	A	39	PHE	0	-0.025	-0.012	11.906	0.035	0.035	0.000	0.000	0.000	0.000
40	A	40	ASN	0	-0.032	-0.021	15.714	0.066	0.066	0.000	0.000	0.000	0.000
41	A	41	GLU	-1	-0.730	-0.833	15.674	-0.730	-0.730	0.000	0.000	0.000	0.000
42	A	42	GLY	0	-0.006	-0.005	16.900	0.068	0.068	0.000	0.000	0.000	0.000
43	A	43	SER	0	-0.059	-0.032	17.571	-0.027	-0.027	0.000	0.000	0.000	0.000
44	A	44	PHE	0	0.021	-0.005	13.075	0.038	0.038	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.793	0.868	12.813	0.498	0.498	0.000	0.000	0.000	0.000
46	A	46	MET	0	-0.062	-0.014	5.845	-0.006	-0.006	0.000	0.000	0.000	0.000
47	A	47	GLU	-1	-0.784	-0.869	11.501	-0.502	-0.502	0.000	0.000	0.000	0.000
48	A	48	GLN	0	-0.034	-0.016	10.992	-0.201	-0.201	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.808	-0.872	6.641	-0.731	-0.731	0.000	0.000	0.000	0.000
50	A	50	GLY	0	0.029	-0.004	10.121	0.153	0.153	0.000	0.000	0.000	0.000
51	A	51	LYS	1	0.917	0.967	9.169	0.013	0.013	0.000	0.000	0.000	0.000
52	A	52	ASN	0	0.010	-0.011	4.802	0.472	0.472	0.000	0.000	0.000	0.000
53	A	53	TRP	0	0.018	0.027	7.611	0.179	0.179	0.000	0.000	0.000	0.000
54	A	54	LYS	1	0.788	0.868	4.368	0.491	0.592	-0.001	-0.011	-0.089	0.000
55	A	55	ILE	0	0.002	0.010	7.485	0.456	0.456	0.000	0.000	0.000	0.000
56	A	56	LYS	1	0.855	0.915	7.660	0.150	0.150	0.000	0.000	0.000	0.000
57	A	57	ILE	0	-0.015	-0.004	9.831	0.152	0.152	0.000	0.000	0.000	0.000
58	A	58	ALA	0	0.001	0.009	12.182	0.023	0.023	0.000	0.000	0.000	0.000
59	A	59	LEU	0	0.000	0.000	12.025	-0.017	-0.017	0.000	0.000	0.000	0.000
60	A	60	PRO	0	0.009	0.006	15.125	0.076	0.076	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.698	-0.822	15.980	-0.193	-0.193	0.000	0.000	0.000	0.000
62	A	62	GLY	0	-0.024	-0.014	15.968	0.016	0.016	0.000	0.000	0.000	0.000
63	A	63	VAL	0	-0.061	-0.024	13.573	-0.023	-0.023	0.000	0.000	0.000	0.000
64	A	64	TRP	0	-0.034	-0.013	12.448	0.027	0.027	0.000	0.000	0.000	0.000
65	A	65	HIS	0	0.002	-0.005	11.611	-0.076	-0.076	0.000	0.000	0.000	0.000
66	A	66	TYR	0	-0.069	-0.072	3.200	0.590	1.256	0.003	-0.329	-0.340	0.001
67	A	67	ALA	0	-0.009	-0.004	7.769	0.101	0.101	0.000	0.000	0.000	0.000
68	A	68	PHE	0	0.047	0.010	3.446	-0.315	0.017	0.007	-0.108	-0.232	0.000
69	A	69	SER	0	-0.050	-0.042	9.092	0.298	0.298	0.000	0.000	0.000	0.000
70	A	70	ILE	0	0.031	0.004	8.937	-0.132	-0.132	0.000	0.000	0.000	0.000
71	A	71	ASP	-1	-0.803	-0.870	12.897	-0.425	-0.425	0.000	0.000	0.000	0.000
72	A	72	GLY	0	-0.005	0.016	16.104	0.071	0.071	0.000	0.000	0.000	0.000
73	A	73	LYN	0	-0.039	-0.024	15.276	0.030	0.030	0.000	0.000	0.000	0.000
74	A	74	PHE	0	-0.018	-0.012	11.987	-0.100	-0.100	0.000	0.000	0.000	0.000
75	A	75	VAL	0	-0.004	-0.009	8.642	0.141	0.141	0.000	0.000	0.000	0.000
76	A	76	LEU	0	-0.016	-0.001	8.154	-0.283	-0.283	0.000	0.000	0.000	0.000
77	A	77	ASP	-1	-0.767	-0.854	1.965	-10.951	-14.762	10.938	-3.747	-3.380	-0.041
78	A	78	PRO	0	-0.044	-0.017	3.303	0.071	0.420	0.018	-0.092	-0.275	0.000
79	A	79	ASP	-1	-0.877	-0.936	2.757	4.122	5.999	1.188	-1.208	-1.858	0.002
80	A	80	ASN	0	-0.062	-0.049	3.334	-0.639	-0.056	0.018	-0.190	-0.411	0.000
81	A	81	PRO	0	0.004	-0.003	4.602	-0.333	-0.291	-0.001	-0.008	-0.032	0.000
82	A	82	GLU	-1	-0.825	-0.877	7.783	-0.352	-0.352	0.000	0.000	0.000	0.000
83	A	83	ARG	1	0.856	0.936	6.808	0.096	0.096	0.000	0.000	0.000	0.000
84	A	84	ARG	1	0.817	0.865	11.247	0.503	0.503	0.000	0.000	0.000	0.000
85	A	85	VAL	0	-0.007	0.011	14.225	-0.066	-0.066	0.000	0.000	0.000	0.000
86	A	86	TYR	0	-0.048	-0.029	15.816	0.026	0.026	0.000	0.000	0.000	0.000
87	A	87	THR	0	-0.031	-0.039	17.594	0.015	0.015	0.000	0.000	0.000	0.000
88	A	88	ARG	1	0.744	0.845	20.913	0.348	0.348	0.000	0.000	0.000	0.000
89	A	89	LYS	1	0.864	0.912	23.045	0.198	0.198	0.000	0.000	0.000	0.000
90	A	90	GLY	0	-0.032	-0.018	26.329	0.008	0.008	0.000	0.000	0.000	0.000
91	A	91	TYR	0	-0.028	-0.057	19.052	-0.007	-0.007	0.000	0.000	0.000	0.000
92	A	92	LYS	1	0.795	0.874	23.885	0.208	0.208	0.000	0.000	0.000	0.000
93	A	93	PHE	0	0.011	0.034	15.239	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	94	HIS	0	0.036	-0.009	20.473	0.011	0.011	0.000	0.000	0.000	0.000
95	A	95	ARG	1	0.874	0.962	14.294	0.617	0.617	0.000	0.000	0.000	0.000
96	A	96	GLU	-1	-0.860	-0.937	12.372	-0.407	-0.407	0.000	0.000	0.000	0.000
97	A	97	VAL	0	-0.060	-0.030	11.159	-0.061	-0.061	0.000	0.000	0.000	0.000
98	A	98	ASN	0	0.033	0.012	6.782	-0.035	-0.035	0.000	0.000	0.000	0.000
99	A	99	VAL	0	0.002	0.002	8.608	0.046	0.046	0.000	0.000	0.000	0.000
100	A	100	ALA	0	0.018	0.016	8.064	-0.169	-0.169	0.000	0.000	0.000	0.000
101	A	101	ARG	1	0.744	0.818	9.193	0.396	0.396	0.000	0.000	0.000	0.000
102	A	102	ILE	0	-0.030	-0.006	8.942	0.095	0.095	0.000	0.000	0.000	0.000
103	A	103	VAL	0	0.018	0.000	12.536	0.004	0.004	0.000	0.000	0.000	0.000
104	A	104	LYS	1	0.854	0.923	14.344	-0.014	-0.014	0.000	0.000	0.000	0.000
105	A	105	SER	0	-0.005	-0.015	15.486	-0.021	-0.021	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.836	-0.899	17.085	0.090	0.090	0.000	0.000	0.000	0.000
107	A	107	ASP	-1	-0.820	-0.876	19.775	-0.088	-0.088	0.000	0.000	0.000	0.000
108	A	108	LEU	0	0.026	0.020	21.557	0.002	0.002	0.000	0.000	0.000	0.000
109	A	109	VAL	0	0.017	-0.004	24.916	-0.014	-0.014	0.000	0.000	0.000	0.000
110	A	110	PHE	0	-0.032	-0.004	23.699	0.010	0.010	0.000	0.000	0.000	0.000
111	A	111	HIS	0	0.051	0.030	25.823	-0.009	-0.009	0.000	0.000	0.000	0.000
112	A	112	THR	0	-0.017	-0.003	26.392	0.014	0.014	0.000	0.000	0.000	0.000
113	A	113	PRO	0	-0.023	-0.004	28.440	-0.014	-0.014	0.000	0.000	0.000	0.000
114	A	114	SER	0	0.018	0.008	27.390	-0.008	-0.008	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.050	-0.017	28.697	0.007	0.007	0.000	0.000	0.000	0.000
116	A	116	LEU	0	-0.003	-0.005	24.841	0.002	0.002	0.000	0.000	0.000	0.000
117	A	117	TYR	0	-0.029	-0.012	23.357	0.010	0.010	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.024	0.000	30.017	0.013	0.013	0.000	0.000	0.000	0.000
119	A	119	TYR	0	-0.009	-0.004	32.414	-0.005	-0.005	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.860	-0.950	35.000	-0.088	-0.088	0.000	0.000	0.000	0.000
121	A	121	ILE	0	-0.015	-0.004	37.249	-0.008	-0.008	0.000	0.000	0.000	0.000
122	A	122	PHE	0	-0.008	-0.008	39.766	0.004	0.004	0.000	0.000	0.000	0.000
123	A	123	GLY	0	0.051	0.030	43.168	0.005	0.005	0.000	0.000	0.000	0.000
124	A	124	ARG	1	0.843	0.904	42.146	0.077	0.077	0.000	0.000	0.000	0.000
125	A	125	VAL	0	0.045	0.024	37.838	-0.006	-0.006	0.000	0.000	0.000	0.000
126	A	126	HIS	0	-0.037	-0.002	35.476	0.000	0.000	0.000	0.000	0.000	0.000
127	A	127	VAL	0	-0.007	-0.002	34.093	-0.003	-0.003	0.000	0.000	0.000	0.000
128	A	128	LEU	0	0.003	0.006	27.773	0.001	0.001	0.000	0.000	0.000	0.000
129	A	129	LEU	0	-0.013	-0.002	29.542	0.004	0.004	0.000	0.000	0.000	0.000
130	A	130	ARG	1	0.809	0.897	20.444	0.144	0.144	0.000	0.000	0.000	0.000
131	A	131	THR	0	0.034	0.002	26.219	0.014	0.014	0.000	0.000	0.000	0.000
132	A	132	GLN	0	-0.016	-0.018	22.144	-0.014	-0.014	0.000	0.000	0.000	0.000
133	A	133	LYS	1	0.860	0.925	23.181	0.144	0.144	0.000	0.000	0.000	0.000
134	A	134	GLY	0	-0.032	-0.014	25.391	0.013	0.013	0.000	0.000	0.000	0.000
135	A	135	VAL	0	0.011	0.006	25.889	0.007	0.007	0.000	0.000	0.000	0.000
136	A	136	ILE	0	-0.028	-0.016	28.920	0.008	0.008	0.000	0.000	0.000	0.000
137	A	137	LYS	1	0.950	0.971	31.444	0.005	0.005	0.000	0.000	0.000	0.000
138	A	138	GLY	0	-0.041	-0.029	34.942	-0.005	-0.005	0.000	0.000	0.000	0.000
139	A	139	ALA	0	0.024	0.016	33.908	0.005	0.005	0.000	0.000	0.000	0.000
140	A	140	THR	0	-0.018	-0.007	36.071	-0.005	-0.005	0.000	0.000	0.000	0.000
141	A	141	PHE	0	0.029	0.029	36.859	0.002	0.002	0.000	0.000	0.000	0.000
142	A	142	LEU	0	-0.007	-0.004	38.695	0.002	0.002	0.000	0.000	0.000	0.000
143	A	143	GLY	0	0.063	0.012	40.235	-0.003	-0.003	0.000	0.000	0.000	0.000
144	A	144	GLU	-1	-0.897	-0.938	42.759	-0.031	-0.031	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.802	0.886	44.978	0.048	0.048	0.000	0.000	0.000	0.000
146	A	146	HIS	0	0.038	0.029	43.393	-0.006	-0.006	0.000	0.000	0.000	0.000
147	A	147	VAL	0	-0.026	-0.011	41.161	0.000	0.000	0.000	0.000	0.000	0.000
148	A	148	PRO	0	-0.003	0.001	40.488	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	149	MET	0	-0.046	-0.011	33.648	-0.003	-0.003	0.000	0.000	0.000	0.000
150	A	150	ARG	1	0.746	0.845	36.142	0.104	0.104	0.000	0.000	0.000	0.000
151	A	151	LYS	1	0.837	0.926	29.483	0.085	0.085	0.000	0.000	0.000	0.000
152	A	152	LYS	1	0.744	0.860	30.910	0.136	0.136	0.000	0.000	0.000	0.000
153	A	153	ALA	0	0.021	0.008	28.339	-0.007	-0.007	0.000	0.000	0.000	0.000
154	A	154	SER	0	-0.059	-0.055	26.536	0.018	0.018	0.000	0.000	0.000	0.000
155	A	155	ASP	-1	-0.764	-0.825	20.535	-0.300	-0.300	0.000	0.000	0.000	0.000
156	A	156	GLU	-1	-0.772	-0.858	16.489	-0.288	-0.288	0.000	0.000	0.000	0.000
157	A	157	LEU	0	-0.007	-0.008	15.658	0.034	0.034	0.000	0.000	0.000	0.000
158	A	158	PHE	0	0.012	-0.005	18.682	0.028	0.028	0.000	0.000	0.000	0.000
159	A	159	ASP	-1	-0.754	-0.849	23.390	-0.097	-0.097	0.000	0.000	0.000	0.000
160	A	160	TYR	0	-0.010	-0.028	22.783	0.003	0.003	0.000	0.000	0.000	0.000
161	A	161	PHE	0	0.022	0.011	28.886	0.004	0.004	0.000	0.000	0.000	0.000
162	A	162	GLU	-1	-0.774	-0.868	32.016	-0.116	-0.116	0.000	0.000	0.000	0.000
163	A	163	VAL	0	-0.002	-0.011	34.560	0.008	0.008	0.000	0.000	0.000	0.000
164	A	164	ILE	0	-0.031	-0.003	37.579	-0.005	-0.005	0.000	0.000	0.000	0.000
165	A	165	VAL	0	0.009	0.005	40.184	0.006	0.006	0.000	0.000	0.000	0.000
166	A	166	GLU	-1	-0.805	-0.903	42.560	-0.057	-0.057	0.000	0.000	0.000	0.000
167	A	167	GLY	0	0.048	0.019	43.369	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	168	GLY	0	-0.022	0.007	44.101	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	169	ASP	-1	-0.874	-0.912	44.449	-0.052	-0.052	0.000	0.000	0.000	0.000
170	A	170	LYS	1	0.824	0.871	43.422	0.058	0.058	0.000	0.000	0.000	0.000
171	A	171	ARG	1	0.849	0.917	39.765	0.046	0.046	0.000	0.000	0.000	0.000
172	A	172	LEU	0	0.063	0.046	39.157	0.004	0.004	0.000	0.000	0.000	0.000
173	A	173	ASN	0	-0.031	-0.024	39.847	0.000	0.000	0.000	0.000	0.000	0.000
174	A	174	TYR	0	-0.045	-0.056	33.338	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	175	SER	0	-0.018	-0.035	35.966	0.000	0.000	0.000	0.000	0.000	0.000
176	A	176	PHE	0	0.024	0.006	32.820	-0.007	-0.007	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.790	-0.862	35.798	0.000	0.000	0.000	0.000	0.000	0.000
178	A	178	VAL	0	-0.024	-0.018	31.533	-0.008	-0.008	0.000	0.000	0.000	0.000
179	A	179	LEU	0	-0.001	-0.001	34.967	0.007	0.007	0.000	0.000	0.000	0.000
180	A	180	THR	0	0.001	-0.030	31.967	-0.008	-0.008	0.000	0.000	0.000	0.000
181	A	181	MET	0	-0.062	-0.024	32.346	-0.002	-0.002	0.000	0.000	0.000	0.000
182	A	182	GLU	-1	-0.873	-0.913	31.864	0.030	0.030	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.025	-0.008	35.834	0.002	0.002	0.000	0.000	0.000	0.000
184	A	184	ALA	0	-0.016	0.007	34.583	0.000	0.000	0.000	0.000	0.000	0.000
185	A	185	LYS	1	0.800	0.871	36.204	-0.005	-0.005	0.000	0.000	0.000	0.000
186	A	186	PHE	0	-0.022	-0.004	30.686	0.005	0.005	0.000	0.000	0.000	0.000
187	A	187	GLU	-1	-0.806	-0.874	36.093	-0.013	-0.013	0.000	0.000	0.000	0.000
188	A	188	TYR	0	-0.040	-0.033	26.391	0.003	0.003	0.000	0.000	0.000	0.000
189	A	189	GLY	0	0.024	-0.004	32.532	-0.008	-0.008	0.000	0.000	0.000	0.000
190	A	190	GLN	0	-0.007	-0.008	33.055	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	191	PHE	0	-0.012	0.006	30.724	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	192	LYS	1	0.929	0.951	36.090	0.030	0.030	0.000	0.000	0.000	0.000
193	A	193	ALA	0	0.036	0.024	35.246	-0.001	-0.001	0.000	0.000	0.000	0.000
194	A	194	ARG	1	0.945	0.978	37.284	0.092	0.092	0.000	0.000	0.000	0.000
195	A	195	PRO	0	-0.024	-0.004	36.146	-0.003	-0.003	0.000	0.000	0.000	0.000
196	A	196	PHE	0	0.003	0.010	31.235	0.001	0.001	0.000	0.000	0.000	0.000
197	A	197	SER	0	0.010	-0.009	34.697	0.002	0.002	0.000	0.000	0.000	0.000
198	A	198	ILE	0	0.005	0.000	32.098	-0.009	-0.009	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.779	-0.865	35.103	-0.153	-0.153	0.000	0.000	0.000	0.000
200	A	200	PHE	0	0.024	-0.018	36.182	-0.011	-0.011	0.000	0.000	0.000	0.000
201	A	201	PRO	0	0.004	0.025	38.609	0.008	0.008	0.000	0.000	0.000	0.000
202	A	202	THR	0	-0.009	-0.013	41.794	0.000	0.000	0.000	0.000	0.000	0.000
203	A	203	TRP	0	-0.072	-0.041	41.772	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.020	0.004	39.341	0.000	0.000	0.000	0.000	0.000	0.000
205	A	205	ILE	0	0.008	0.005	40.224	-0.002	-0.002	0.000	0.000	0.000	0.000
206	A	206	ASP	-1	-0.857	-0.923	42.896	-0.104	-0.104	0.000	0.000	0.000	0.000
207	A	207	ARG	1	0.687	0.825	42.863	0.112	0.112	0.000	0.000	0.000	0.000
208	A	208	VAL	0	-0.006	0.005	43.227	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	209	PHE	0	0.007	-0.011	40.347	0.002	0.002	0.000	0.000	0.000	0.000
210	A	210	TYR	0	-0.056	-0.059	42.380	-0.001	-0.001	0.000	0.000	0.000	0.000
211	A	211	GLN	0	0.010	-0.001	35.811	0.002	0.002	0.000	0.000	0.000	0.000
212	A	212	ILE	0	0.000	-0.004	40.920	0.005	0.005	0.000	0.000	0.000	0.000
213	A	213	MET	0	0.035	0.024	37.973	-0.006	-0.006	0.000	0.000	0.000	0.000
214	A	214	PRO	0	0.017	-0.006	42.164	0.007	0.007	0.000	0.000	0.000	0.000
215	A	215	ASP	-1	-0.780	-0.876	43.509	-0.123	-0.123	0.000	0.000	0.000	0.000
216	A	216	LYS	1	0.849	0.887	42.723	0.134	0.134	0.000	0.000	0.000	0.000
217	A	217	PHE	0	0.042	0.039	45.908	0.004	0.004	0.000	0.000	0.000	0.000
218	A	218	ALA	0	0.081	0.029	47.595	0.005	0.005	0.000	0.000	0.000	0.000
219	A	219	ARG	1	0.907	0.969	50.865	0.088	0.088	0.000	0.000	0.000	0.000
220	A	220	SER	0	-0.067	-0.064	52.963	0.004	0.004	0.000	0.000	0.000	0.000
221	A	221	ARG	1	0.873	0.906	55.926	0.080	0.080	0.000	0.000	0.000	0.000
222	A	222	LYS	1	0.885	0.961	58.850	0.074	0.074	0.000	0.000	0.000	0.000
223	A	223	ILE	0	0.038	0.015	58.578	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	224	GLN	0	-0.052	-0.019	56.378	0.000	0.000	0.000	0.000	0.000	0.000
225	A	234	TRP	0	-0.045	-0.001	45.941	-0.003	-0.003	0.000	0.000	0.000	0.000
226	A	235	GLY	0	-0.016	-0.010	47.584	0.004	0.004	0.000	0.000	0.000	0.000
227	A	236	GLY	0	-0.045	-0.010	48.202	0.005	0.005	0.000	0.000	0.000	0.000
228	A	237	ASP	-1	-0.805	-0.909	48.295	-0.098	-0.098	0.000	0.000	0.000	0.000
229	A	238	LEU	0	0.019	-0.009	46.074	0.000	0.000	0.000	0.000	0.000	0.000
230	A	239	ILE	0	-0.022	-0.003	50.022	0.002	0.002	0.000	0.000	0.000	0.000
231	A	240	GLY	0	0.030	0.011	52.682	0.003	0.003	0.000	0.000	0.000	0.000
232	A	241	ILE	0	-0.029	-0.016	46.685	0.001	0.001	0.000	0.000	0.000	0.000
233	A	242	LYS	1	0.848	0.927	51.014	0.083	0.083	0.000	0.000	0.000	0.000
234	A	243	GLU	-1	-0.818	-0.876	53.889	-0.077	-0.077	0.000	0.000	0.000	0.000
235	A	244	LYS	1	0.876	0.955	52.942	0.082	0.082	0.000	0.000	0.000	0.000
236	A	245	ILE	0	0.018	0.010	52.391	-0.002	-0.002	0.000	0.000	0.000	0.000
237	A	246	ASP	-1	-0.818	-0.901	53.985	-0.079	-0.079	0.000	0.000	0.000	0.000
238	A	247	HIS	0	-0.008	-0.014	50.625	0.004	0.004	0.000	0.000	0.000	0.000
239	A	248	LEU	0	-0.009	0.003	48.551	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	249	VAL	0	0.011	-0.007	51.754	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	250	ASN	0	-0.071	-0.037	54.239	0.003	0.003	0.000	0.000	0.000	0.000
242	A	251	LEU	0	-0.054	-0.019	47.907	0.002	0.002	0.000	0.000	0.000	0.000
243	A	252	GLY	0	0.029	0.023	51.429	0.000	0.000	0.000	0.000	0.000	0.000
244	A	253	ILE	0	-0.056	-0.017	46.460	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	254	ASN	0	0.024	-0.009	46.995	0.000	0.000	0.000	0.000	0.000	0.000
246	A	255	ALA	0	0.008	0.014	43.332	0.000	0.000	0.000	0.000	0.000	0.000
247	A	256	ILE	0	0.018	0.015	43.659	0.000	0.000	0.000	0.000	0.000	0.000
248	A	257	TYR	0	-0.040	-0.044	34.797	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	258	LEU	0	-0.029	-0.006	40.467	0.002	0.002	0.000	0.000	0.000	0.000
250	A	259	THR	0	0.060	0.012	37.032	-0.006	-0.006	0.000	0.000	0.000	0.000
251	A	260	PRO	0	-0.075	-0.028	35.727	0.009	0.009	0.000	0.000	0.000	0.000
252	A	261	ILE	0	0.052	0.031	38.647	0.006	0.006	0.000	0.000	0.000	0.000
253	A	262	PHE	0	-0.021	-0.001	37.366	0.008	0.008	0.000	0.000	0.000	0.000
254	A	263	SER	0	-0.015	-0.006	41.438	0.002	0.002	0.000	0.000	0.000	0.000
255	A	264	SER	0	0.013	0.007	38.315	-0.003	-0.003	0.000	0.000	0.000	0.000
256	A	265	LEU	0	-0.005	0.018	37.440	0.009	0.009	0.000	0.000	0.000	0.000
257	A	266	THR	0	-0.025	-0.041	38.480	0.009	0.009	0.000	0.000	0.000	0.000
258	A	267	TYR	0	-0.034	-0.042	40.154	0.000	0.000	0.000	0.000	0.000	0.000
259	A	268	HIS	0	0.010	0.010	36.709	0.001	0.001	0.000	0.000	0.000	0.000
260	A	269	GLY	0	0.030	0.036	37.673	-0.006	-0.006	0.000	0.000	0.000	0.000
261	A	270	TYR	0	-0.008	-0.043	32.562	0.003	0.003	0.000	0.000	0.000	0.000
262	A	271	ASP	-1	-0.759	-0.840	33.142	-0.187	-0.187	0.000	0.000	0.000	0.000
263	A	272	ILE	0	-0.011	-0.003	35.035	0.012	0.012	0.000	0.000	0.000	0.000
264	A	273	VAL	0	-0.017	-0.033	36.098	-0.007	-0.007	0.000	0.000	0.000	0.000
265	A	274	ASP	-1	-0.815	-0.906	38.773	-0.136	-0.136	0.000	0.000	0.000	0.000
266	A	275	TYR	0	0.022	-0.008	32.874	0.004	0.004	0.000	0.000	0.000	0.000
267	A	276	PHE	0	-0.015	-0.015	39.425	0.001	0.001	0.000	0.000	0.000	0.000
268	A	277	HIS	1	0.848	0.910	42.963	0.126	0.126	0.000	0.000	0.000	0.000
269	A	278	VAL	0	0.007	0.017	43.891	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	279	ALA	0	-0.007	-0.008	43.672	0.005	0.005	0.000	0.000	0.000	0.000
271	A	280	ARG	1	0.921	0.940	45.636	0.105	0.105	0.000	0.000	0.000	0.000
272	A	281	ARG	1	0.852	0.907	41.711	0.141	0.141	0.000	0.000	0.000	0.000
273	A	282	LEU	0	0.017	0.025	43.972	0.002	0.002	0.000	0.000	0.000	0.000
274	A	283	GLY	0	0.073	0.037	48.727	0.001	0.001	0.000	0.000	0.000	0.000
275	A	284	GLY	0	-0.053	-0.020	49.077	0.003	0.003	0.000	0.000	0.000	0.000
276	A	285	ASP	-1	-0.804	-0.923	47.855	-0.112	-0.112	0.000	0.000	0.000	0.000
277	A	286	ARG	1	0.962	0.985	50.048	0.080	0.080	0.000	0.000	0.000	0.000
278	A	287	ALA	0	0.063	0.038	51.336	0.001	0.001	0.000	0.000	0.000	0.000
279	A	288	PHE	0	0.044	0.017	44.598	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	289	VAL	0	0.003	0.008	49.680	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	290	ASP	-1	-0.877	-0.938	51.892	-0.083	-0.083	0.000	0.000	0.000	0.000
282	A	291	LEU	0	-0.025	-0.016	48.225	0.001	0.001	0.000	0.000	0.000	0.000
283	A	292	LEU	0	-0.019	-0.008	46.551	0.000	0.000	0.000	0.000	0.000	0.000
284	A	293	SER	0	-0.043	-0.035	50.543	0.002	0.002	0.000	0.000	0.000	0.000
285	A	294	GLU	-1	-0.825	-0.903	54.088	-0.075	-0.075	0.000	0.000	0.000	0.000
286	A	295	LEU	0	0.006	-0.007	48.357	0.002	0.002	0.000	0.000	0.000	0.000
287	A	296	LYS	1	0.827	0.895	47.687	0.111	0.111	0.000	0.000	0.000	0.000
288	A	297	ARG	1	0.844	0.929	52.791	0.075	0.075	0.000	0.000	0.000	0.000
289	A	298	PHE	0	-0.031	-0.018	53.682	0.003	0.003	0.000	0.000	0.000	0.000
290	A	299	ASP	-1	-0.800	-0.865	50.565	-0.100	-0.100	0.000	0.000	0.000	0.000
291	A	300	ILE	0	-0.023	-0.001	47.742	-0.004	-0.004	0.000	0.000	0.000	0.000
292	A	301	LYS	1	0.824	0.909	44.708	0.106	0.106	0.000	0.000	0.000	0.000
293	A	302	VAL	0	-0.009	-0.012	43.926	-0.002	-0.002	0.000	0.000	0.000	0.000
294	A	303	ILE	0	-0.022	0.010	37.606	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	304	LEU	0	-0.012	-0.005	39.145	0.004	0.004	0.000	0.000	0.000	0.000
296	A	305	ASP	-1	-0.711	-0.820	33.547	-0.232	-0.232	0.000	0.000	0.000	0.000
297	A	306	GLY	0	0.000	0.000	33.332	0.009	0.009	0.000	0.000	0.000	0.000
298	A	307	VAL	0	-0.026	-0.011	31.385	-0.017	-0.017	0.000	0.000	0.000	0.000
299	A	308	PHE	0	0.040	0.019	29.628	0.012	0.012	0.000	0.000	0.000	0.000
300	A	309	HIS	0	0.062	0.064	22.952	-0.042	-0.042	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.006	-0.004	26.038	-0.033	-0.033	0.000	0.000	0.000	0.000
302	A	311	THR	0	0.002	0.025	28.488	0.013	0.013	0.000	0.000	0.000	0.000
303	A	312	SER	0	0.023	0.010	31.430	-0.009	-0.009	0.000	0.000	0.000	0.000
304	A	313	PHE	0	0.018	0.003	32.270	0.002	0.002	0.000	0.000	0.000	0.000
305	A	314	PHE	0	0.015	-0.010	33.917	0.006	0.006	0.000	0.000	0.000	0.000
306	A	315	HIS	0	0.032	0.033	35.066	0.008	0.008	0.000	0.000	0.000	0.000
307	A	316	PRO	0	0.014	0.003	36.846	-0.003	-0.003	0.000	0.000	0.000	0.000
308	A	317	TYR	0	-0.010	0.001	34.304	0.007	0.007	0.000	0.000	0.000	0.000
309	A	318	PHE	0	0.031	0.013	29.208	0.000	0.000	0.000	0.000	0.000	0.000
310	A	319	GLN	0	0.000	-0.003	34.031	0.012	0.012	0.000	0.000	0.000	0.000
311	A	320	ASP	-1	-0.774	-0.835	37.095	-0.132	-0.132	0.000	0.000	0.000	0.000
312	A	321	VAL	0	0.009	0.009	31.165	0.005	0.005	0.000	0.000	0.000	0.000
313	A	322	VAL	0	-0.020	-0.015	33.763	0.005	0.005	0.000	0.000	0.000	0.000
314	A	323	ARG	1	0.812	0.899	35.500	0.136	0.136	0.000	0.000	0.000	0.000
315	A	324	LYS	1	0.818	0.896	37.086	0.136	0.136	0.000	0.000	0.000	0.000
316	A	325	GLY	0	0.024	0.032	33.599	0.005	0.005	0.000	0.000	0.000	0.000
317	A	326	GLU	-1	-0.847	-0.940	31.943	-0.166	-0.166	0.000	0.000	0.000	0.000
318	A	327	ASN	0	-0.016	-0.017	34.004	0.007	0.007	0.000	0.000	0.000	0.000
319	A	328	SER	0	-0.055	-0.045	34.770	0.000	0.000	0.000	0.000	0.000	0.000
320	A	329	SER	0	-0.004	-0.011	34.893	-0.005	-0.005	0.000	0.000	0.000	0.000
321	A	330	PHE	0	-0.013	-0.012	33.503	-0.007	-0.007	0.000	0.000	0.000	0.000
322	A	331	LYS	1	0.914	0.973	30.389	0.153	0.153	0.000	0.000	0.000	0.000
323	A	332	ASN	0	0.007	0.004	27.207	0.002	0.002	0.000	0.000	0.000	0.000
324	A	333	PHE	0	0.004	0.007	28.115	-0.015	-0.015	0.000	0.000	0.000	0.000
325	A	334	TYR	0	0.041	-0.003	26.990	-0.003	-0.003	0.000	0.000	0.000	0.000
326	A	335	ARG	1	0.834	0.910	19.700	0.514	0.514	0.000	0.000	0.000	0.000
327	A	336	ILE	0	-0.035	-0.014	23.549	-0.008	-0.008	0.000	0.000	0.000	0.000
328	A	337	ILE	0	0.012	0.014	20.682	-0.010	-0.010	0.000	0.000	0.000	0.000
329	A	338	LYS	1	0.887	0.919	23.067	0.268	0.268	0.000	0.000	0.000	0.000
330	A	339	PHE	0	0.079	0.040	26.129	0.000	0.000	0.000	0.000	0.000	0.000
331	A	340	PRO	0	-0.035	0.007	29.033	0.010	0.010	0.000	0.000	0.000	0.000
332	A	341	VAL	0	0.024	-0.003	29.143	-0.005	-0.005	0.000	0.000	0.000	0.000
333	A	342	VAL	0	0.010	0.010	29.766	-0.013	-0.013	0.000	0.000	0.000	0.000
334	A	343	SER	0	0.012	0.005	31.862	0.009	0.009	0.000	0.000	0.000	0.000
335	A	344	LYS	1	0.988	0.972	32.034	0.134	0.134	0.000	0.000	0.000	0.000
336	A	345	GLU	-1	-0.856	-0.902	36.353	-0.088	-0.088	0.000	0.000	0.000	0.000
337	A	346	PHE	0	0.002	-0.019	35.163	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	347	LEU	0	0.034	0.020	32.222	0.001	0.001	0.000	0.000	0.000	0.000
339	A	348	GLN	0	0.071	0.020	35.975	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	349	ILE	0	0.017	0.027	39.193	0.002	0.002	0.000	0.000	0.000	0.000
341	A	350	LEU	0	-0.024	-0.023	36.453	0.004	0.004	0.000	0.000	0.000	0.000
342	A	351	HIS	0	-0.015	0.002	37.585	0.004	0.004	0.000	0.000	0.000	0.000
343	A	352	SER	0	0.015	0.003	40.004	0.002	0.002	0.000	0.000	0.000	0.000
344	A	353	LYS	1	0.901	0.962	43.261	0.093	0.093	0.000	0.000	0.000	0.000
345	A	354	SER	0	-0.022	-0.013	45.084	0.005	0.005	0.000	0.000	0.000	0.000
346	A	355	SER	0	-0.028	-0.038	42.175	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	356	TRP	0	-0.022	-0.011	43.309	-0.005	-0.005	0.000	0.000	0.000	0.000
348	A	357	GLU	-1	-0.808	-0.912	39.596	-0.137	-0.137	0.000	0.000	0.000	0.000
349	A	358	GLU	-1	-0.854	-0.903	38.905	-0.126	-0.126	0.000	0.000	0.000	0.000
350	A	359	LYS	1	0.842	0.921	37.863	0.120	0.120	0.000	0.000	0.000	0.000
351	A	360	TYR	0	-0.001	0.006	30.838	-0.012	-0.012	0.000	0.000	0.000	0.000
352	A	361	LYS	1	0.976	0.972	32.087	0.156	0.156	0.000	0.000	0.000	0.000
353	A	362	LYS	1	0.927	0.979	33.204	0.130	0.130	0.000	0.000	0.000	0.000
354	A	363	ILE	0	0.019	0.007	32.274	0.001	0.001	0.000	0.000	0.000	0.000
355	A	364	LYS	1	0.881	0.936	27.537	0.239	0.239	0.000	0.000	0.000	0.000
356	A	365	SER	0	-0.050	-0.033	28.925	-0.013	-0.013	0.000	0.000	0.000	0.000
357	A	366	LEU	0	-0.092	-0.043	30.141	0.017	0.017	0.000	0.000	0.000	0.000
358	A	367	GLY	0	0.033	0.036	27.317	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.055	-0.030	24.894	0.031	0.031	0.000	0.000	0.000	0.000
360	A	369	ASN	0	-0.027	-0.001	25.208	-0.028	-0.028	0.000	0.000	0.000	0.000
361	A	370	TYR	0	-0.014	-0.029	24.369	0.011	0.011	0.000	0.000	0.000	0.000
362	A	371	GLU	-1	-0.704	-0.804	18.861	-0.576	-0.576	0.000	0.000	0.000	0.000
363	A	372	SER	0	-0.021	-0.020	22.469	0.036	0.036	0.000	0.000	0.000	0.000
364	A	373	PHE	0	0.015	0.004	22.726	-0.036	-0.036	0.000	0.000	0.000	0.000
365	A	374	PHE	0	0.086	0.048	19.079	0.028	0.028	0.000	0.000	0.000	0.000
366	A	375	SER	0	0.029	0.013	22.603	0.016	0.016	0.000	0.000	0.000	0.000
367	A	376	VAL	0	-0.056	-0.017	24.717	0.034	0.034	0.000	0.000	0.000	0.000
368	A	377	TRP	0	0.074	0.041	28.000	-0.005	-0.005	0.000	0.000	0.000	0.000
369	A	378	ILE	0	-0.011	0.005	28.879	0.004	0.004	0.000	0.000	0.000	0.000
370	A	379	MET	0	-0.033	-0.010	28.621	0.007	0.007	0.000	0.000	0.000	0.000
371	A	380	PRO	0	-0.020	0.004	27.138	-0.028	-0.028	0.000	0.000	0.000	0.000
372	A	381	ARG	1	0.807	0.866	18.936	0.548	0.548	0.000	0.000	0.000	0.000
373	A	382	LEU	0	-0.013	-0.007	25.318	0.011	0.011	0.000	0.000	0.000	0.000
374	A	383	ASN	0	-0.054	-0.028	23.539	-0.066	-0.066	0.000	0.000	0.000	0.000
375	A	384	HIS	0	0.002	-0.018	22.798	-0.003	-0.003	0.000	0.000	0.000	0.000
376	A	385	ASP	-1	-0.779	-0.855	20.564	-0.496	-0.496	0.000	0.000	0.000	0.000
377	A	386	ASN	0	-0.029	-0.014	23.778	0.034	0.034	0.000	0.000	0.000	0.000
378	A	387	PRO	0	0.072	0.021	26.849	0.005	0.005	0.000	0.000	0.000	0.000
379	A	388	LYS	1	0.933	0.965	29.184	0.212	0.212	0.000	0.000	0.000	0.000
380	A	389	VAL	0	-0.015	0.005	27.597	0.013	0.013	0.000	0.000	0.000	0.000
381	A	390	ARG	1	0.865	0.909	22.463	0.368	0.368	0.000	0.000	0.000	0.000
382	A	391	GLU	-1	-0.850	-0.906	30.023	-0.188	-0.188	0.000	0.000	0.000	0.000
383	A	392	PHE	0	-0.030	-0.002	33.123	0.012	0.012	0.000	0.000	0.000	0.000
384	A	393	ILE	0	0.017	0.010	28.826	0.009	0.009	0.000	0.000	0.000	0.000
385	A	394	LYS	1	0.826	0.892	31.115	0.229	0.229	0.000	0.000	0.000	0.000
386	A	395	ASN	0	-0.031	-0.030	34.843	0.018	0.018	0.000	0.000	0.000	0.000
387	A	396	VAL	0	-0.023	-0.003	36.223	0.010	0.010	0.000	0.000	0.000	0.000
388	A	397	ILE	0	0.009	0.011	32.989	0.009	0.009	0.000	0.000	0.000	0.000
389	A	398	LEU	0	0.045	0.034	37.590	0.010	0.010	0.000	0.000	0.000	0.000
390	A	399	PHE	0	0.003	0.023	40.343	0.011	0.011	0.000	0.000	0.000	0.000
391	A	400	TRP	0	-0.021	-0.016	39.883	0.014	0.014	0.000	0.000	0.000	0.000
392	A	401	THR	0	-0.006	-0.013	40.111	0.005	0.005	0.000	0.000	0.000	0.000
393	A	402	ASN	0	-0.042	-0.039	42.783	0.010	0.010	0.000	0.000	0.000	0.000
394	A	403	LYS	1	0.772	0.900	45.186	0.130	0.130	0.000	0.000	0.000	0.000
395	A	404	GLY	0	0.026	0.017	46.737	0.004	0.004	0.000	0.000	0.000	0.000
396	A	405	VAL	0	-0.023	0.005	41.439	0.001	0.001	0.000	0.000	0.000	0.000
397	A	406	ASP	-1	-0.780	-0.888	43.091	-0.119	-0.119	0.000	0.000	0.000	0.000
398	A	407	GLY	0	0.069	0.018	38.970	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	408	PHE	0	-0.050	-0.038	34.760	0.005	0.005	0.000	0.000	0.000	0.000
400	A	409	ARG	1	0.811	0.890	30.221	0.252	0.252	0.000	0.000	0.000	0.000
401	A	410	MET	0	-0.065	-0.028	29.218	0.004	0.004	0.000	0.000	0.000	0.000
402	A	411	ASP	-1	-0.785	-0.915	29.241	-0.290	-0.290	0.000	0.000	0.000	0.000
403	A	412	VAL	0	-0.037	-0.014	23.411	-0.015	-0.015	0.000	0.000	0.000	0.000
404	A	413	ALA	0	0.028	0.024	24.296	-0.030	-0.030	0.000	0.000	0.000	0.000
405	A	414	HIS	0	0.072	0.038	20.365	-0.018	-0.018	0.000	0.000	0.000	0.000
406	A	415	GLY	0	0.007	0.009	19.633	-0.075	-0.075	0.000	0.000	0.000	0.000
407	A	416	VAL	0	-0.035	-0.021	21.017	0.010	0.010	0.000	0.000	0.000	0.000
408	A	417	PRO	0	0.022	0.010	19.619	-0.012	-0.012	0.000	0.000	0.000	0.000
409	A	418	PRO	0	0.028	0.013	19.572	0.054	0.054	0.000	0.000	0.000	0.000
410	A	419	GLU	-1	-0.828	-0.924	21.525	-0.316	-0.316	0.000	0.000	0.000	0.000
411	A	420	VAL	0	-0.037	-0.014	24.059	0.036	0.036	0.000	0.000	0.000	0.000
412	A	421	TRP	0	0.026	-0.009	24.388	0.046	0.046	0.000	0.000	0.000	0.000
413	A	422	LYS	1	0.898	0.966	25.610	0.274	0.274	0.000	0.000	0.000	0.000
414	A	423	GLU	-1	-0.800	-0.889	27.238	-0.254	-0.254	0.000	0.000	0.000	0.000
415	A	424	VAL	0	-0.037	-0.022	30.064	0.021	0.021	0.000	0.000	0.000	0.000
416	A	425	ARG	1	0.783	0.882	31.154	0.215	0.215	0.000	0.000	0.000	0.000
417	A	426	GLU	-1	-0.965	-0.981	31.159	-0.176	-0.176	0.000	0.000	0.000	0.000
418	A	427	ALA	0	0.008	-0.001	33.701	0.014	0.014	0.000	0.000	0.000	0.000
419	A	428	LEU	0	-0.035	0.004	35.953	0.010	0.010	0.000	0.000	0.000	0.000
420	A	429	PRO	0	-0.019	-0.022	37.936	0.004	0.004	0.000	0.000	0.000	0.000
421	A	430	LYS	1	0.885	0.927	36.470	0.156	0.156	0.000	0.000	0.000	0.000
422	A	431	GLU	-1	-0.823	-0.905	40.603	-0.118	-0.118	0.000	0.000	0.000	0.000
423	A	432	LYS	1	0.790	0.887	39.937	0.130	0.130	0.000	0.000	0.000	0.000
424	A	433	TYR	0	-0.024	-0.012	35.813	-0.006	-0.006	0.000	0.000	0.000	0.000
425	A	434	LEU	0	-0.001	0.000	32.075	-0.002	-0.002	0.000	0.000	0.000	0.000
426	A	435	ILE	0	0.006	0.010	31.718	-0.009	-0.009	0.000	0.000	0.000	0.000
427	A	436	GLY	0	0.048	0.015	28.648	0.000	0.000	0.000	0.000	0.000	0.000
428	A	437	GLU	-1	-0.839	-0.901	26.228	-0.286	-0.286	0.000	0.000	0.000	0.000
429	A	438	VAL	0	-0.006	-0.013	22.690	-0.023	-0.023	0.000	0.000	0.000	0.000
430	A	439	MET	0	-0.007	-0.007	22.229	0.027	0.027	0.000	0.000	0.000	0.000
431	A	440	ASP	-1	-0.757	-0.856	19.595	-0.475	-0.475	0.000	0.000	0.000	0.000
432	A	441	ASP	-1	-0.779	-0.857	19.420	-0.382	-0.382	0.000	0.000	0.000	0.000
433	A	442	ALA	0	0.023	0.005	21.018	-0.031	-0.031	0.000	0.000	0.000	0.000
434	A	443	ARG	1	0.872	0.918	19.443	0.415	0.415	0.000	0.000	0.000	0.000
435	A	444	LEU	0	-0.030	-0.014	16.547	0.022	0.022	0.000	0.000	0.000	0.000
436	A	445	TRP	0	-0.045	-0.031	19.112	0.012	0.012	0.000	0.000	0.000	0.000
437	A	446	LEU	0	0.011	0.020	24.310	0.027	0.027	0.000	0.000	0.000	0.000
438	A	447	PHE	0	0.002	-0.001	24.970	-0.002	-0.002	0.000	0.000	0.000	0.000
439	A	448	ASP	-1	-0.799	-0.897	26.110	-0.277	-0.277	0.000	0.000	0.000	0.000
440	A	449	LYS	1	0.798	0.917	22.963	0.351	0.351	0.000	0.000	0.000	0.000
441	A	450	PHE	0	-0.031	-0.006	26.126	0.019	0.019	0.000	0.000	0.000	0.000
442	A	451	HIS	0	-0.039	-0.026	30.290	-0.005	-0.005	0.000	0.000	0.000	0.000
443	A	452	GLY	0	0.029	0.006	31.221	0.006	0.006	0.000	0.000	0.000	0.000
444	A	453	VAL	0	-0.030	-0.028	26.729	-0.007	-0.007	0.000	0.000	0.000	0.000
445	A	454	MET	0	-0.002	0.023	29.367	0.014	0.014	0.000	0.000	0.000	0.000
446	A	455	ASN	0	-0.002	0.005	28.438	-0.038	-0.038	0.000	0.000	0.000	0.000
447	A	456	TYR	0	0.012	-0.024	26.018	0.016	0.016	0.000	0.000	0.000	0.000
448	A	457	ARG	1	0.861	0.940	21.119	0.381	0.381	0.000	0.000	0.000	0.000
449	A	458	LEU	0	0.002	0.012	26.362	0.014	0.014	0.000	0.000	0.000	0.000
450	A	459	TYR	0	0.005	0.006	29.244	0.011	0.011	0.000	0.000	0.000	0.000
451	A	460	ASP	-1	-0.764	-0.884	25.886	-0.269	-0.269	0.000	0.000	0.000	0.000
452	A	461	ALA	0	0.014	0.017	28.277	0.014	0.014	0.000	0.000	0.000	0.000
453	A	462	ILE	0	-0.016	-0.015	30.070	0.016	0.016	0.000	0.000	0.000	0.000
454	A	463	LEU	0	0.004	0.006	29.467	0.014	0.014	0.000	0.000	0.000	0.000
455	A	464	ARG	1	0.878	0.935	26.687	0.227	0.227	0.000	0.000	0.000	0.000
456	A	465	PHE	0	-0.042	-0.009	31.347	0.014	0.014	0.000	0.000	0.000	0.000
457	A	466	PHE	0	-0.004	-0.025	34.631	0.010	0.010	0.000	0.000	0.000	0.000
458	A	467	GLY	0	-0.019	0.008	35.073	0.007	0.007	0.000	0.000	0.000	0.000
459	A	468	TYR	0	0.034	0.001	30.973	0.000	0.000	0.000	0.000	0.000	0.000
460	A	469	GLU	-1	-0.861	-0.895	35.116	-0.092	-0.092	0.000	0.000	0.000	0.000
461	A	470	GLU	-1	-0.752	-0.859	30.129	-0.174	-0.174	0.000	0.000	0.000	0.000
462	A	471	ILE	0	-0.040	0.005	30.061	0.002	0.002	0.000	0.000	0.000	0.000
463	A	472	THR	0	-0.073	-0.080	33.404	0.007	0.007	0.000	0.000	0.000	0.000
464	A	473	ALA	0	-0.010	-0.003	34.823	-0.009	-0.009	0.000	0.000	0.000	0.000
465	A	474	GLU	-1	-0.751	-0.880	35.672	-0.090	-0.090	0.000	0.000	0.000	0.000
466	A	475	GLU	-1	-0.811	-0.876	30.751	-0.132	-0.132	0.000	0.000	0.000	0.000
467	A	476	PHE	0	-0.013	-0.012	30.950	-0.011	-0.011	0.000	0.000	0.000	0.000
468	A	477	LEU	0	-0.012	-0.001	32.082	-0.010	-0.010	0.000	0.000	0.000	0.000
469	A	478	ASN	0	0.033	0.007	27.001	0.005	0.005	0.000	0.000	0.000	0.000
470	A	479	GLU	-1	-0.753	-0.837	25.043	-0.277	-0.277	0.000	0.000	0.000	0.000
471	A	480	LEU	0	-0.042	-0.008	28.761	-0.011	-0.011	0.000	0.000	0.000	0.000
472	A	481	GLU	-1	-0.745	-0.860	31.336	-0.129	-0.129	0.000	0.000	0.000	0.000
473	A	482	LEU	0	-0.014	0.012	24.374	0.001	0.001	0.000	0.000	0.000	0.000
474	A	483	LEU	0	-0.021	-0.008	25.806	-0.011	-0.011	0.000	0.000	0.000	0.000
475	A	484	SER	0	-0.073	-0.052	28.070	0.001	0.001	0.000	0.000	0.000	0.000
476	A	485	SER	0	-0.052	-0.050	27.314	0.009	0.009	0.000	0.000	0.000	0.000
477	A	486	TYR	0	-0.095	-0.062	21.880	-0.016	-0.016	0.000	0.000	0.000	0.000
478	A	487	TYR	0	0.027	-0.007	24.610	-0.026	-0.026	0.000	0.000	0.000	0.000
479	A	488	GLY	0	0.067	0.042	28.698	0.005	0.005	0.000	0.000	0.000	0.000
480	A	489	PRO	0	-0.002	-0.002	31.398	0.003	0.003	0.000	0.000	0.000	0.000
481	A	490	ALA	0	0.046	0.012	30.455	0.004	0.004	0.000	0.000	0.000	0.000
482	A	491	GLU	-1	-0.742	-0.829	32.216	-0.168	-0.168	0.000	0.000	0.000	0.000
483	A	492	TYR	0	-0.030	-0.032	33.011	0.005	0.005	0.000	0.000	0.000	0.000
484	A	493	LEU	0	-0.001	0.005	34.478	0.007	0.007	0.000	0.000	0.000	0.000
485	A	494	MET	0	-0.065	0.006	28.091	-0.008	-0.008	0.000	0.000	0.000	0.000
486	A	495	TYR	0	0.039	0.028	32.807	0.015	0.015	0.000	0.000	0.000	0.000
487	A	496	ASN	0	0.042	0.015	33.220	-0.026	-0.026	0.000	0.000	0.000	0.000
488	A	497	PHE	0	-0.004	0.003	30.362	0.010	0.010	0.000	0.000	0.000	0.000
489	A	498	LEU	0	0.002	0.004	35.147	-0.004	-0.004	0.000	0.000	0.000	0.000
490	A	499	ASH	0	-0.083	-0.077	35.168	0.000	0.000	0.000	0.000	0.000	0.000
491	A	500	ASN	0	0.051	0.018	31.437	0.004	0.004	0.000	0.000	0.000	0.000
492	A	501	HIS	0	0.045	0.031	32.166	0.015	0.015	0.000	0.000	0.000	0.000
493	A	502	ASP	-1	-0.856	-0.906	30.622	-0.234	-0.234	0.000	0.000	0.000	0.000
494	A	503	VAL	0	-0.070	-0.018	30.689	-0.009	-0.009	0.000	0.000	0.000	0.000
495	A	504	GLU	-1	-0.779	-0.868	32.962	-0.186	-0.186	0.000	0.000	0.000	0.000
496	A	505	ARG	1	0.813	0.891	36.148	0.129	0.129	0.000	0.000	0.000	0.000
497	A	506	PHE	0	0.021	-0.007	35.050	0.004	0.004	0.000	0.000	0.000	0.000
498	A	507	LEU	0	-0.013	-0.003	38.889	0.004	0.004	0.000	0.000	0.000	0.000
499	A	508	ASP	-1	-0.778	-0.883	39.864	-0.114	-0.114	0.000	0.000	0.000	0.000
500	A	509	ILE	0	-0.077	-0.016	34.314	0.002	0.002	0.000	0.000	0.000	0.000
501	A	510	VAL	0	0.003	0.008	38.121	0.003	0.003	0.000	0.000	0.000	0.000
502	A	511	GLY	0	0.026	0.039	40.556	0.007	0.007	0.000	0.000	0.000	0.000
503	A	512	ASP	-1	-0.833	-0.915	43.620	-0.079	-0.079	0.000	0.000	0.000	0.000
504	A	513	LYS	1	0.932	0.937	45.478	0.080	0.080	0.000	0.000	0.000	0.000
505	A	514	ARG	1	0.807	0.880	47.284	0.075	0.075	0.000	0.000	0.000	0.000
506	A	515	LYS	1	0.876	0.944	42.278	0.097	0.097	0.000	0.000	0.000	0.000
507	A	516	TYR	0	0.018	-0.005	41.857	-0.005	-0.005	0.000	0.000	0.000	0.000
508	A	517	VAL	0	0.024	0.011	43.475	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	518	CYS	0	-0.073	-0.025	43.607	0.001	0.001	0.000	0.000	0.000	0.000
510	A	519	ALA	0	0.032	0.020	39.234	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	520	LEU	0	0.018	0.014	40.688	-0.005	-0.005	0.000	0.000	0.000	0.000
512	A	521	VAL	0	-0.003	-0.009	43.012	0.000	0.000	0.000	0.000	0.000	0.000
513	A	522	PHE	0	0.025	0.025	35.900	0.000	0.000	0.000	0.000	0.000	0.000
514	A	523	LEU	0	-0.016	0.001	37.257	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	524	MET	0	-0.009	0.001	39.810	-0.004	-0.004	0.000	0.000	0.000	0.000
516	A	525	THR	0	-0.049	-0.032	42.359	0.004	0.004	0.000	0.000	0.000	0.000
517	A	526	TYR	0	0.001	-0.004	33.794	0.008	0.008	0.000	0.000	0.000	0.000
518	A	527	LYS	1	0.804	0.909	34.721	0.148	0.148	0.000	0.000	0.000	0.000
519	A	528	GLY	0	0.039	0.027	36.159	-0.008	-0.008	0.000	0.000	0.000	0.000
520	A	529	ILE	0	-0.001	0.004	36.993	0.011	0.011	0.000	0.000	0.000	0.000
521	A	530	PRO	0	-0.020	0.003	37.788	-0.009	-0.009	0.000	0.000	0.000	0.000
522	A	531	SER	0	-0.046	-0.045	37.554	0.001	0.001	0.000	0.000	0.000	0.000
523	A	532	LEU	0	-0.002	-0.002	40.042	0.001	0.001	0.000	0.000	0.000	0.000
524	A	533	PHE	0	0.043	0.019	39.019	-0.004	-0.004	0.000	0.000	0.000	0.000
525	A	534	TYR	0	0.010	-0.031	41.077	0.003	0.003	0.000	0.000	0.000	0.000
526	A	535	GLY	0	0.083	0.034	44.410	-0.002	-0.002	0.000	0.000	0.000	0.000
527	A	536	ASP	-1	-0.781	-0.838	41.163	-0.134	-0.134	0.000	0.000	0.000	0.000
528	A	537	GLU	-1	-0.781	-0.859	44.743	-0.104	-0.104	0.000	0.000	0.000	0.000
529	A	538	ILE	0	-0.026	-0.008	48.046	0.004	0.004	0.000	0.000	0.000	0.000
530	A	539	GLY	0	-0.021	-0.020	46.915	0.003	0.003	0.000	0.000	0.000	0.000
531	A	540	LEU	0	-0.056	-0.015	45.450	0.002	0.002	0.000	0.000	0.000	0.000
532	A	541	ARG	1	0.800	0.878	43.926	0.098	0.098	0.000	0.000	0.000	0.000
533	A	542	GLY	0	-0.009	-0.014	41.622	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	543	ILE	0	-0.048	-0.022	42.551	0.007	0.007	0.000	0.000	0.000	0.000
535	A	544	ASN	0	0.012	0.004	42.335	-0.005	-0.005	0.000	0.000	0.000	0.000
536	A	545	LEU	0	-0.040	-0.023	40.398	0.004	0.004	0.000	0.000	0.000	0.000
537	A	546	GLN	0	-0.048	-0.036	40.817	-0.008	-0.008	0.000	0.000	0.000	0.000
538	A	547	GLY	0	0.034	0.020	40.551	0.000	0.000	0.000	0.000	0.000	0.000
539	A	548	MET	0	-0.074	-0.020	35.732	-0.004	-0.004	0.000	0.000	0.000	0.000
540	A	549	GLU	-1	-0.819	-0.903	38.334	-0.114	-0.114	0.000	0.000	0.000	0.000
541	A	550	SER	0	-0.005	-0.011	37.654	-0.012	-0.012	0.000	0.000	0.000	0.000
542	A	551	SER	0	0.013	-0.001	36.793	0.009	0.009	0.000	0.000	0.000	0.000
543	A	552	ARG	1	0.838	0.903	33.992	0.196	0.196	0.000	0.000	0.000	0.000
544	A	553	ALA	0	0.054	0.031	40.770	0.003	0.003	0.000	0.000	0.000	0.000
545	A	554	PRO	0	-0.013	-0.012	44.304	-0.003	-0.003	0.000	0.000	0.000	0.000
546	A	555	MET	0	-0.007	0.015	47.375	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	556	LEU	0	-0.010	0.013	48.875	0.002	0.002	0.000	0.000	0.000	0.000
548	A	557	TRP	0	-0.037	-0.040	51.199	0.001	0.001	0.000	0.000	0.000	0.000
549	A	558	ASN	0	-0.035	-0.017	54.985	0.003	0.003	0.000	0.000	0.000	0.000
550	A	559	GLU	-1	-0.879	-0.955	56.891	-0.071	-0.071	0.000	0.000	0.000	0.000
551	A	560	GLU	-1	-0.905	-0.933	58.082	-0.063	-0.063	0.000	0.000	0.000	0.000
552	A	561	GLU	-1	-0.919	-0.973	54.133	-0.080	-0.080	0.000	0.000	0.000	0.000
553	A	562	TRP	0	-0.088	-0.048	53.199	-0.003	-0.003	0.000	0.000	0.000	0.000
554	A	563	ASP	-1	-0.755	-0.839	51.481	-0.075	-0.075	0.000	0.000	0.000	0.000
555	A	564	GLN	0	0.055	0.008	53.071	-0.003	-0.003	0.000	0.000	0.000	0.000
556	A	565	ARG	1	0.937	0.984	53.991	0.067	0.067	0.000	0.000	0.000	0.000
557	A	566	ILE	0	-0.028	-0.012	47.923	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	567	LEU	0	0.021	0.051	50.616	-0.003	-0.003	0.000	0.000	0.000	0.000
559	A	568	GLU	-1	-0.940	-0.969	52.522	-0.068	-0.068	0.000	0.000	0.000	0.000
560	A	569	ILE	0	-0.020	-0.012	49.119	0.000	0.000	0.000	0.000	0.000	0.000
561	A	570	THR	0	-0.004	-0.026	47.077	-0.003	-0.003	0.000	0.000	0.000	0.000
562	A	571	LYS	1	0.936	0.976	49.495	0.076	0.076	0.000	0.000	0.000	0.000
563	A	572	THR	0	-0.068	-0.040	52.327	0.002	0.002	0.000	0.000	0.000	0.000
564	A	573	LEU	0	-0.017	-0.018	46.287	0.001	0.001	0.000	0.000	0.000	0.000
565	A	574	VAL	0	0.012	0.008	47.398	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	575	LYS	1	0.875	0.937	49.167	0.072	0.072	0.000	0.000	0.000	0.000
567	A	576	ILE	0	-0.014	-0.016	49.745	0.002	0.002	0.000	0.000	0.000	0.000
568	A	577	ARG	1	0.854	0.928	40.942	0.122	0.122	0.000	0.000	0.000	0.000
569	A	578	LYS	1	0.902	0.949	47.844	0.094	0.094	0.000	0.000	0.000	0.000
570	A	579	ASN	0	-0.032	-0.015	49.366	0.005	0.005	0.000	0.000	0.000	0.000
571	A	580	ASN	0	0.049	0.053	49.341	0.000	0.000	0.000	0.000	0.000	0.000
572	A	581	LYS	1	0.895	0.921	48.532	0.067	0.067	0.000	0.000	0.000	0.000
573	A	582	ALA	0	-0.010	0.003	46.932	-0.004	-0.004	0.000	0.000	0.000	0.000
574	A	583	LEU	0	-0.022	-0.013	44.760	-0.004	-0.004	0.000	0.000	0.000	0.000
575	A	584	LEU	0	-0.064	-0.003	43.538	-0.007	-0.007	0.000	0.000	0.000	0.000
576	A	585	PHE	0	0.005	-0.012	42.748	-0.005	-0.005	0.000	0.000	0.000	0.000
577	A	586	GLY	0	0.006	0.017	42.805	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	587	ASN	0	0.021	0.009	40.812	-0.008	-0.008	0.000	0.000	0.000	0.000
579	A	588	PHE	0	0.032	0.000	36.521	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	589	VAL	0	-0.016	0.000	39.446	0.000	0.000	0.000	0.000	0.000	0.000
581	A	590	PRO	0	0.007	0.000	37.662	0.003	0.003	0.000	0.000	0.000	0.000
582	A	591	VAL	0	-0.054	-0.015	40.871	0.005	0.005	0.000	0.000	0.000	0.000
583	A	592	LYS	1	0.811	0.879	42.903	0.062	0.062	0.000	0.000	0.000	0.000
584	A	593	PHE	0	0.034	0.015	38.055	-0.003	-0.003	0.000	0.000	0.000	0.000
585	A	594	LYS	1	0.874	0.925	39.697	0.072	0.072	0.000	0.000	0.000	0.000
586	A	595	ARG	1	0.966	0.981	39.340	0.074	0.074	0.000	0.000	0.000	0.000
587	A	596	LYS	1	0.802	0.877	38.164	0.098	0.098	0.000	0.000	0.000	0.000
588	A	597	PHE	0	-0.009	0.003	41.513	0.000	0.000	0.000	0.000	0.000	0.000
589	A	598	MET	0	-0.013	0.007	38.330	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	599	VAL	0	-0.008	-0.003	42.679	0.002	0.002	0.000	0.000	0.000	0.000
591	A	600	TYR	0	0.026	-0.002	41.281	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	601	LYS	1	0.843	0.925	43.278	0.074	0.074	0.000	0.000	0.000	0.000
593	A	602	ARG	1	0.800	0.910	41.637	0.106	0.106	0.000	0.000	0.000	0.000
594	A	603	GLU	-1	-0.775	-0.893	44.817	-0.063	-0.063	0.000	0.000	0.000	0.000
595	A	604	HIS	0	0.036	0.014	45.580	-0.006	-0.006	0.000	0.000	0.000	0.000
596	A	605	MET	0	-0.057	-0.021	46.918	0.004	0.004	0.000	0.000	0.000	0.000
597	A	606	GLY	0	0.008	0.014	50.097	0.003	0.003	0.000	0.000	0.000	0.000
598	A	607	GLU	-1	-0.815	-0.877	51.162	-0.069	-0.069	0.000	0.000	0.000	0.000
599	A	608	ARG	1	0.824	0.888	49.450	0.057	0.057	0.000	0.000	0.000	0.000
600	A	609	THR	0	0.008	-0.008	47.934	0.004	0.004	0.000	0.000	0.000	0.000
601	A	610	ILE	0	-0.036	-0.012	47.275	-0.004	-0.004	0.000	0.000	0.000	0.000
602	A	611	VAL	0	0.003	-0.003	44.944	0.001	0.001	0.000	0.000	0.000	0.000
603	A	612	ALA	0	-0.008	-0.002	45.459	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	613	ILE	0	0.014	-0.003	42.097	0.000	0.000	0.000	0.000	0.000	0.000
605	A	614	ASN	0	-0.064	-0.023	44.529	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	615	TYR	0	-0.005	-0.022	39.523	0.004	0.004	0.000	0.000	0.000	0.000
607	A	616	SER	0	0.013	-0.014	43.114	0.000	0.000	0.000	0.000	0.000	0.000
608	A	617	ASN	0	0.042	0.012	45.731	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	618	SER	0	0.009	0.008	48.713	0.003	0.003	0.000	0.000	0.000	0.000
610	A	619	ARG	1	0.961	0.993	50.147	0.047	0.047	0.000	0.000	0.000	0.000
611	A	620	VAL	0	0.017	0.023	48.316	0.002	0.002	0.000	0.000	0.000	0.000
612	A	621	LYS	1	0.905	0.948	51.387	0.043	0.043	0.000	0.000	0.000	0.000
613	A	622	GLU	-1	-0.760	-0.862	48.428	-0.057	-0.057	0.000	0.000	0.000	0.000
614	A	623	LEU	0	0.003	-0.011	49.169	0.000	0.000	0.000	0.000	0.000	0.000
615	A	624	GLY	0	0.030	0.029	53.083	0.001	0.001	0.000	0.000	0.000	0.000
616	A	625	ILE	0	0.009	0.016	53.739	0.001	0.001	0.000	0.000	0.000	0.000
617	A	626	THR	0	-0.076	-0.066	54.885	0.001	0.001	0.000	0.000	0.000	0.000
618	A	627	ILE	0	0.025	0.036	49.650	0.000	0.000	0.000	0.000	0.000	0.000
619	A	628	PRO	0	0.023	-0.008	52.219	0.000	0.000	0.000	0.000	0.000	0.000
620	A	629	GLU	-1	-0.832	-0.892	49.961	-0.064	-0.064	0.000	0.000	0.000	0.000
621	A	630	TYR	0	-0.039	-0.029	42.919	0.003	0.003	0.000	0.000	0.000	0.000
622	A	631	SER	0	-0.048	-0.024	47.926	0.001	0.001	0.000	0.000	0.000	0.000
623	A	632	GLY	0	0.057	0.027	47.700	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	633	VAL	0	-0.053	-0.031	48.545	0.003	0.003	0.000	0.000	0.000	0.000
625	A	634	ILE	0	0.013	0.019	48.292	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	635	ILE	0	-0.005	-0.013	50.666	0.003	0.003	0.000	0.000	0.000	0.000
627	A	636	ASN	0	-0.018	-0.020	51.705	-0.003	-0.003	0.000	0.000	0.000	0.000
628	A	637	GLU	-1	-0.773	-0.878	53.699	-0.063	-0.063	0.000	0.000	0.000	0.000
629	A	638	ASP	-1	-0.872	-0.925	56.812	-0.056	-0.056	0.000	0.000	0.000	0.000
630	A	639	LYS	1	0.812	0.897	56.067	0.058	0.058	0.000	0.000	0.000	0.000
631	A	640	VAL	0	0.038	0.024	55.431	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	641	LYS	1	0.900	0.958	53.560	0.070	0.070	0.000	0.000	0.000	0.000
633	A	642	LEU	0	0.006	0.007	52.786	-0.003	-0.003	0.000	0.000	0.000	0.000
634	A	643	ILE	0	-0.016	-0.006	49.108	0.001	0.001	0.000	0.000	0.000	0.000
635	A	644	LYS	1	0.882	0.910	50.382	0.065	0.065	0.000	0.000	0.000	0.000
636	A	645	TYR	0	-0.032	-0.029	50.544	0.003	0.003	0.000	0.000	0.000	0.000

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