FMO DATABASE

FMODB ID: 5NJVZ

Calculation Name: 2P6R-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2P6R

Chain ID: A

ChEMBL ID:

UniProt ID: P0DMI1

Base Structure: X-ray

Registration Date: 2023-09-27

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	686
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16556540.135503
FMO2-HF: Nuclear repulsion	16286267.212123
FMO2-HF: Total energy	-270272.92338
FMO2-MP2: Total energy	-271063.633944

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.
-31.257	-22.824	13.92	-9.513	-12.84	-0.09

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 : -0.034 / q_NPA : -0.009

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	VAL	0	0.037	-0.003	3.787	-2.157	-0.103	-0.015	-0.981	-1.059	0.004
4	A	4	GLU	-1	-0.785	-0.849	4.629	-1.019	-0.746	-0.001	-0.019	-0.253	0.000
5	A	5	GLU	-1	-0.745	-0.872	1.919	-25.272	-22.026	13.098	-7.666	-8.678	-0.089
6	A	6	LEU	0	-0.021	0.016	3.041	-2.394	0.066	0.821	-0.809	-2.471	-0.005
7	A	7	ALA	0	0.018	0.011	3.823	0.049	0.227	0.014	0.003	-0.195	0.000
8	A	8	GLU	-1	-0.908	-0.947	5.741	-2.048	-2.048	0.000	0.000	0.000	0.000
9	A	9	SER	0	-0.049	-0.048	3.451	0.677	0.899	0.003	-0.041	-0.184	0.000
10	A	10	ILE	0	-0.003	-0.004	6.022	0.259	0.259	0.000	0.000	0.000	0.000
11	A	11	SER	0	-0.010	-0.019	8.339	0.099	0.099	0.000	0.000	0.000	0.000
12	A	12	SER	0	-0.037	-0.017	9.141	0.132	0.132	0.000	0.000	0.000	0.000
13	A	13	TYR	0	0.003	0.001	9.918	0.093	0.093	0.000	0.000	0.000	0.000
14	A	14	ALA	0	0.005	0.005	11.663	0.049	0.049	0.000	0.000	0.000	0.000
15	A	15	VAL	0	-0.011	-0.022	13.732	0.026	0.026	0.000	0.000	0.000	0.000
16	A	16	GLY	0	-0.031	-0.005	14.430	0.013	0.013	0.000	0.000	0.000	0.000
17	A	17	ILE	0	-0.022	-0.017	15.732	0.028	0.028	0.000	0.000	0.000	0.000
18	A	18	LEU	0	-0.023	-0.009	17.904	0.018	0.018	0.000	0.000	0.000	0.000
19	A	19	LYS	1	0.937	0.968	17.505	0.354	0.354	0.000	0.000	0.000	0.000
20	A	20	GLU	-1	-0.983	-0.976	20.661	-0.149	-0.149	0.000	0.000	0.000	0.000
21	A	21	GLU	-1	-0.932	-0.973	22.697	-0.063	-0.063	0.000	0.000	0.000	0.000
22	A	22	GLY	0	-0.069	-0.048	23.020	0.006	0.006	0.000	0.000	0.000	0.000
23	A	23	ILE	0	-0.060	-0.043	24.003	0.014	0.014	0.000	0.000	0.000	0.000
24	A	24	GLU	-1	-0.911	-0.923	25.277	-0.133	-0.133	0.000	0.000	0.000	0.000
25	A	25	GLU	-1	-1.009	-1.005	22.837	-0.131	-0.131	0.000	0.000	0.000	0.000
26	A	26	LEU	0	-0.003	-0.009	23.400	-0.016	-0.016	0.000	0.000	0.000	0.000
27	A	27	PHE	0	0.011	-0.017	21.239	-0.023	-0.023	0.000	0.000	0.000	0.000
28	A	28	PRO	0	-0.017	0.016	18.408	0.016	0.016	0.000	0.000	0.000	0.000
29	A	29	PRO	0	-0.017	-0.008	19.807	-0.040	-0.040	0.000	0.000	0.000	0.000
30	A	30	GLN	0	-0.016	-0.007	21.247	0.009	0.009	0.000	0.000	0.000	0.000
31	A	31	ALA	0	0.057	0.019	15.762	0.008	0.008	0.000	0.000	0.000	0.000
32	A	32	GLU	-1	-0.810	-0.896	16.727	-0.297	-0.297	0.000	0.000	0.000	0.000
33	A	33	ALA	0	0.034	0.011	18.410	0.000	0.000	0.000	0.000	0.000	0.000
34	A	34	VAL	0	-0.004	-0.005	13.143	0.015	0.015	0.000	0.000	0.000	0.000
35	A	35	GLU	-1	-0.890	-0.944	13.694	-0.659	-0.659	0.000	0.000	0.000	0.000
36	A	36	LYS	1	0.816	0.926	14.501	0.254	0.254	0.000	0.000	0.000	0.000
37	A	37	VAL	0	-0.022	-0.002	13.767	0.044	0.044	0.000	0.000	0.000	0.000
38	A	38	PHE	0	0.038	0.007	9.994	0.030	0.030	0.000	0.000	0.000	0.000
39	A	39	SER	0	-0.006	-0.014	11.584	0.023	0.023	0.000	0.000	0.000	0.000
40	A	40	GLY	0	-0.063	-0.014	13.771	0.069	0.069	0.000	0.000	0.000	0.000
41	A	41	LYS	1	0.841	0.896	14.597	0.174	0.174	0.000	0.000	0.000	0.000
42	A	42	ASN	0	0.052	0.038	18.108	-0.024	-0.024	0.000	0.000	0.000	0.000
43	A	43	LEU	0	-0.044	-0.014	19.021	-0.013	-0.013	0.000	0.000	0.000	0.000
44	A	44	LEU	0	-0.004	0.006	22.263	0.015	0.015	0.000	0.000	0.000	0.000
45	A	45	LEU	0	0.000	-0.003	20.754	-0.014	-0.014	0.000	0.000	0.000	0.000
46	A	46	ALA	0	0.005	-0.004	25.186	0.014	0.014	0.000	0.000	0.000	0.000
47	A	47	MET	0	0.028	0.016	23.856	-0.014	-0.014	0.000	0.000	0.000	0.000
48	A	48	PRO	0	-0.038	0.012	29.363	0.010	0.010	0.000	0.000	0.000	0.000
49	A	49	THR	0	-0.024	-0.034	29.873	0.007	0.007	0.000	0.000	0.000	0.000
50	A	50	ALA	0	0.000	-0.008	28.502	-0.009	-0.009	0.000	0.000	0.000	0.000
51	A	51	ALA	0	0.061	0.041	26.199	-0.004	-0.004	0.000	0.000	0.000	0.000
52	A	52	GLY	0	0.058	0.023	23.067	-0.009	-0.009	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.756	0.871	22.437	0.085	0.085	0.000	0.000	0.000	0.000
54	A	54	THR	0	0.036	0.009	22.935	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	55	LEU	0	0.057	0.042	18.444	-0.004	-0.004	0.000	0.000	0.000	0.000
56	A	56	LEU	0	-0.002	-0.010	17.684	-0.024	-0.024	0.000	0.000	0.000	0.000
57	A	57	ALA	0	0.037	0.010	17.726	-0.018	-0.018	0.000	0.000	0.000	0.000
58	A	58	GLU	-1	-0.777	-0.873	18.537	-0.104	-0.104	0.000	0.000	0.000	0.000
59	A	59	MET	0	0.018	0.017	13.783	-0.016	-0.016	0.000	0.000	0.000	0.000
60	A	60	ALA	0	-0.006	0.005	13.885	-0.021	-0.021	0.000	0.000	0.000	0.000
61	A	61	MET	0	-0.056	-0.012	15.263	0.023	0.023	0.000	0.000	0.000	0.000
62	A	62	VAL	0	0.018	0.014	11.945	0.037	0.037	0.000	0.000	0.000	0.000
63	A	63	ARG	1	0.811	0.877	10.108	0.433	0.433	0.000	0.000	0.000	0.000
64	A	64	GLU	-1	-0.816	-0.875	11.117	-0.024	-0.024	0.000	0.000	0.000	0.000
65	A	65	ALA	0	0.028	0.013	13.552	0.038	0.038	0.000	0.000	0.000	0.000
66	A	66	ILE	0	-0.001	0.005	7.471	0.066	0.066	0.000	0.000	0.000	0.000
67	A	67	LYS	1	0.748	0.868	9.176	0.096	0.096	0.000	0.000	0.000	0.000
68	A	68	GLY	0	-0.034	-0.002	10.626	0.051	0.051	0.000	0.000	0.000	0.000
69	A	69	GLY	0	-0.046	-0.015	13.501	-0.003	-0.003	0.000	0.000	0.000	0.000
70	A	70	LYS	1	0.836	0.900	15.993	-0.080	-0.080	0.000	0.000	0.000	0.000
71	A	71	SER	0	-0.019	-0.026	18.922	-0.019	-0.019	0.000	0.000	0.000	0.000
72	A	72	LEU	0	0.002	0.003	20.794	0.010	0.010	0.000	0.000	0.000	0.000
73	A	73	TYR	0	0.001	-0.034	23.195	-0.013	-0.013	0.000	0.000	0.000	0.000
74	A	74	VAL	0	0.017	0.010	25.520	0.007	0.007	0.000	0.000	0.000	0.000
75	A	75	VAL	0	0.025	0.014	28.989	-0.010	-0.010	0.000	0.000	0.000	0.000
76	A	76	PRO	0	0.048	0.032	31.487	0.007	0.007	0.000	0.000	0.000	0.000
77	A	77	LEU	0	-0.017	-0.016	34.812	0.004	0.004	0.000	0.000	0.000	0.000
78	A	78	ARG	1	0.800	0.839	35.022	0.006	0.006	0.000	0.000	0.000	0.000
79	A	79	ALA	0	-0.008	0.004	35.298	0.001	0.001	0.000	0.000	0.000	0.000
80	A	80	LEU	0	0.052	0.025	31.996	0.000	0.000	0.000	0.000	0.000	0.000
81	A	81	ALA	0	0.015	0.016	30.972	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	82	GLY	0	0.028	0.011	30.480	0.002	0.002	0.000	0.000	0.000	0.000
83	A	83	GLU	-1	-0.866	-0.941	30.079	-0.059	-0.059	0.000	0.000	0.000	0.000
84	A	84	LYS	1	0.836	0.918	26.563	0.075	0.075	0.000	0.000	0.000	0.000
85	A	85	TYR	0	0.015	0.014	26.081	0.000	0.000	0.000	0.000	0.000	0.000
86	A	86	GLU	-1	-0.884	-0.964	26.365	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	87	SER	0	-0.024	0.002	24.856	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	88	PHE	0	0.021	-0.015	22.214	-0.006	-0.006	0.000	0.000	0.000	0.000
89	A	89	LYS	1	0.834	0.914	21.790	-0.029	-0.029	0.000	0.000	0.000	0.000
90	A	90	LYS	1	0.752	0.883	19.925	0.114	0.114	0.000	0.000	0.000	0.000
91	A	91	TRP	0	-0.001	-0.036	14.243	0.003	0.003	0.000	0.000	0.000	0.000
92	A	92	GLU	-1	-0.764	-0.879	17.613	0.072	0.072	0.000	0.000	0.000	0.000
93	A	93	LYS	1	0.847	0.931	17.934	0.023	0.023	0.000	0.000	0.000	0.000
94	A	94	ILE	0	-0.034	-0.012	12.344	0.024	0.024	0.000	0.000	0.000	0.000
95	A	95	GLY	0	-0.012	-0.003	14.508	0.070	0.070	0.000	0.000	0.000	0.000
96	A	96	LEU	0	-0.052	-0.015	14.424	-0.004	-0.004	0.000	0.000	0.000	0.000
97	A	97	ARG	1	0.873	0.926	18.087	-0.160	-0.160	0.000	0.000	0.000	0.000
98	A	98	ILE	0	-0.024	-0.015	20.824	-0.009	-0.009	0.000	0.000	0.000	0.000
99	A	99	GLY	0	0.055	0.019	23.808	0.008	0.008	0.000	0.000	0.000	0.000
100	A	100	ILE	0	-0.054	-0.029	26.928	-0.010	-0.010	0.000	0.000	0.000	0.000
101	A	101	SER	0	-0.020	-0.019	29.871	0.005	0.005	0.000	0.000	0.000	0.000
102	A	102	THR	0	-0.003	-0.012	32.466	-0.006	-0.006	0.000	0.000	0.000	0.000
103	A	103	GLY	0	-0.036	-0.019	35.609	0.004	0.004	0.000	0.000	0.000	0.000
104	A	104	ASP	-1	-0.898	-0.945	38.581	-0.005	-0.005	0.000	0.000	0.000	0.000
105	A	105	TYR	0	0.063	0.029	33.018	0.004	0.004	0.000	0.000	0.000	0.000
106	A	106	GLU	-1	-0.849	-0.920	33.094	0.024	0.024	0.000	0.000	0.000	0.000
107	A	107	SER	0	0.009	0.016	29.952	0.000	0.000	0.000	0.000	0.000	0.000
108	A	108	ARG	1	0.876	0.923	31.771	-0.034	-0.034	0.000	0.000	0.000	0.000
109	A	109	ASP	-1	-0.891	-0.929	28.954	0.047	0.047	0.000	0.000	0.000	0.000
110	A	110	GLU	-1	-0.757	-0.845	24.678	0.108	0.108	0.000	0.000	0.000	0.000
111	A	111	HIS	0	-0.060	-0.032	27.553	-0.013	-0.013	0.000	0.000	0.000	0.000
112	A	112	LEU	0	-0.007	-0.005	27.671	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	113	GLY	0	-0.028	-0.037	26.211	-0.002	-0.002	0.000	0.000	0.000	0.000
114	A	114	ASP	-1	-0.884	-0.952	23.046	0.116	0.116	0.000	0.000	0.000	0.000
115	A	115	CYS	0	-0.060	-0.002	21.706	0.010	0.010	0.000	0.000	0.000	0.000
116	A	116	ASP	-1	-0.798	-0.890	17.613	0.122	0.122	0.000	0.000	0.000	0.000
117	A	117	ILE	0	-0.011	0.001	18.166	-0.020	-0.020	0.000	0.000	0.000	0.000
118	A	118	ILE	0	-0.028	0.007	21.652	0.004	0.004	0.000	0.000	0.000	0.000
119	A	119	VAL	0	-0.002	0.005	25.410	-0.010	-0.010	0.000	0.000	0.000	0.000
120	A	120	THR	0	0.011	-0.016	27.677	0.007	0.007	0.000	0.000	0.000	0.000
121	A	121	THR	0	-0.023	-0.006	30.949	-0.005	-0.005	0.000	0.000	0.000	0.000
122	A	122	SER	0	0.015	0.003	33.117	0.002	0.002	0.000	0.000	0.000	0.000
123	A	123	GLU	-1	-0.753	-0.876	34.135	-0.016	-0.016	0.000	0.000	0.000	0.000
124	A	124	LYS	1	0.793	0.912	34.268	-0.011	-0.011	0.000	0.000	0.000	0.000
125	A	125	ALA	0	0.034	0.020	31.121	0.005	0.005	0.000	0.000	0.000	0.000
126	A	126	ASP	-1	-0.724	-0.844	32.782	0.006	0.006	0.000	0.000	0.000	0.000
127	A	127	SER	0	0.003	0.003	35.428	0.005	0.005	0.000	0.000	0.000	0.000
128	A	128	LEU	0	-0.023	-0.007	31.456	0.004	0.004	0.000	0.000	0.000	0.000
129	A	129	ILE	0	-0.017	0.000	31.554	0.005	0.005	0.000	0.000	0.000	0.000
130	A	130	ARG	1	0.805	0.915	34.563	-0.002	-0.002	0.000	0.000	0.000	0.000
131	A	131	ASN	0	-0.125	-0.066	37.612	0.003	0.003	0.000	0.000	0.000	0.000
132	A	132	ARG	1	0.731	0.832	35.166	-0.023	-0.023	0.000	0.000	0.000	0.000
133	A	133	ALA	0	0.025	0.019	32.051	0.005	0.005	0.000	0.000	0.000	0.000
134	A	134	SER	0	-0.001	-0.011	29.894	-0.001	-0.001	0.000	0.000	0.000	0.000
135	A	135	TRP	0	0.073	0.034	26.060	0.002	0.002	0.000	0.000	0.000	0.000
136	A	136	ILE	0	0.015	0.015	26.023	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	137	LYS	1	0.908	0.946	27.260	-0.050	-0.050	0.000	0.000	0.000	0.000
138	A	138	ALA	0	-0.013	-0.002	22.789	0.007	0.007	0.000	0.000	0.000	0.000
139	A	139	VAL	0	-0.044	-0.003	21.767	0.004	0.004	0.000	0.000	0.000	0.000
140	A	140	SER	0	-0.035	-0.060	17.297	0.008	0.008	0.000	0.000	0.000	0.000
141	A	141	CYS	0	-0.037	-0.010	18.179	-0.018	-0.018	0.000	0.000	0.000	0.000
142	A	142	LEU	0	0.017	0.019	20.281	0.007	0.007	0.000	0.000	0.000	0.000
143	A	143	VAL	0	0.023	0.003	21.269	-0.013	-0.013	0.000	0.000	0.000	0.000
144	A	144	VAL	0	-0.008	-0.003	24.086	0.012	0.012	0.000	0.000	0.000	0.000
145	A	145	ASP	-1	-0.725	-0.855	27.703	-0.096	-0.096	0.000	0.000	0.000	0.000
146	A	146	GLU	-1	-0.909	-0.959	28.848	-0.067	-0.067	0.000	0.000	0.000	0.000
147	A	147	ILE	0	0.038	0.039	29.490	0.006	0.006	0.000	0.000	0.000	0.000
148	A	148	HIS	0	0.062	0.040	31.957	0.001	0.001	0.000	0.000	0.000	0.000
149	A	149	LEU	0	-0.074	-0.042	34.908	0.005	0.005	0.000	0.000	0.000	0.000
150	A	150	LEU	0	0.019	0.008	33.939	0.006	0.006	0.000	0.000	0.000	0.000
151	A	151	ASP	-1	-0.811	-0.888	37.359	-0.039	-0.039	0.000	0.000	0.000	0.000
152	A	152	SER	0	-0.070	-0.019	40.112	0.004	0.004	0.000	0.000	0.000	0.000
153	A	153	GLU	-1	-0.772	-0.904	42.042	-0.030	-0.030	0.000	0.000	0.000	0.000
154	A	154	LYS	1	0.906	0.958	44.131	0.025	0.025	0.000	0.000	0.000	0.000
155	A	155	ARG	1	0.758	0.841	37.641	0.026	0.026	0.000	0.000	0.000	0.000
156	A	156	GLY	0	0.035	0.037	38.303	0.000	0.000	0.000	0.000	0.000	0.000
157	A	157	ALA	0	0.076	0.034	37.926	0.000	0.000	0.000	0.000	0.000	0.000
158	A	158	THR	0	0.004	-0.002	36.767	0.002	0.002	0.000	0.000	0.000	0.000
159	A	159	LEU	0	-0.015	0.001	32.818	0.002	0.002	0.000	0.000	0.000	0.000
160	A	160	GLU	-1	-0.777	-0.884	33.604	-0.029	-0.029	0.000	0.000	0.000	0.000
161	A	161	ILE	0	0.031	0.031	34.704	0.001	0.001	0.000	0.000	0.000	0.000
162	A	162	LEU	0	-0.035	-0.002	30.312	0.003	0.003	0.000	0.000	0.000	0.000
163	A	163	VAL	0	0.023	-0.001	28.965	0.003	0.003	0.000	0.000	0.000	0.000
164	A	164	THR	0	0.003	0.000	30.259	0.002	0.002	0.000	0.000	0.000	0.000
165	A	165	LYS	1	0.808	0.900	32.173	-0.004	-0.004	0.000	0.000	0.000	0.000
166	A	166	MET	0	-0.022	-0.004	26.498	0.008	0.008	0.000	0.000	0.000	0.000
167	A	167	ARG	1	0.829	0.891	26.747	0.035	0.035	0.000	0.000	0.000	0.000
168	A	168	ARG	1	0.757	0.845	28.320	0.000	0.000	0.000	0.000	0.000	0.000
169	A	169	MET	0	-0.082	-0.009	29.269	0.008	0.008	0.000	0.000	0.000	0.000
170	A	170	ASN	0	0.013	0.005	21.885	0.013	0.013	0.000	0.000	0.000	0.000
171	A	171	LYS	1	0.994	0.993	22.699	-0.041	-0.041	0.000	0.000	0.000	0.000
172	A	172	ALA	0	-0.081	-0.052	19.664	-0.002	-0.002	0.000	0.000	0.000	0.000
173	A	173	LEU	0	-0.050	-0.008	19.940	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	174	ARG	1	0.790	0.886	15.472	0.215	0.215	0.000	0.000	0.000	0.000
175	A	175	VAL	0	-0.012	-0.015	20.458	0.007	0.007	0.000	0.000	0.000	0.000
176	A	176	ILE	0	-0.004	-0.011	18.639	-0.016	-0.016	0.000	0.000	0.000	0.000
177	A	177	GLY	0	0.031	0.026	23.309	0.013	0.013	0.000	0.000	0.000	0.000
178	A	178	LEU	0	-0.031	-0.019	23.381	-0.015	-0.015	0.000	0.000	0.000	0.000
179	A	179	SER	0	-0.023	-0.023	27.295	0.014	0.014	0.000	0.000	0.000	0.000
180	A	180	ALA	0	0.007	0.001	30.078	-0.009	-0.009	0.000	0.000	0.000	0.000
181	A	181	THR	0	0.011	0.006	32.818	-0.002	-0.002	0.000	0.000	0.000	0.000
182	A	182	ALA	0	0.031	-0.002	34.172	0.007	0.007	0.000	0.000	0.000	0.000
183	A	183	PRO	0	0.030	0.027	35.599	-0.005	-0.005	0.000	0.000	0.000	0.000
184	A	184	ASN	0	-0.037	-0.034	36.453	-0.004	-0.004	0.000	0.000	0.000	0.000
185	A	185	VAL	0	-0.005	-0.005	31.285	0.001	0.001	0.000	0.000	0.000	0.000
186	A	186	THR	0	-0.026	-0.021	30.610	-0.002	-0.002	0.000	0.000	0.000	0.000
187	A	187	GLU	-1	-0.678	-0.794	31.315	-0.051	-0.051	0.000	0.000	0.000	0.000
188	A	188	ILE	0	-0.015	-0.001	30.342	0.005	0.005	0.000	0.000	0.000	0.000
189	A	189	ALA	0	-0.001	-0.007	27.135	0.002	0.002	0.000	0.000	0.000	0.000
190	A	190	GLU	-1	-0.866	-0.932	27.986	-0.072	-0.072	0.000	0.000	0.000	0.000
191	A	191	TRP	0	-0.054	-0.045	30.285	0.003	0.003	0.000	0.000	0.000	0.000
192	A	192	LEU	0	-0.018	-0.017	26.511	0.006	0.006	0.000	0.000	0.000	0.000
193	A	193	ASP	-1	-0.845	-0.894	26.088	-0.038	-0.038	0.000	0.000	0.000	0.000
194	A	194	ALA	0	-0.044	-0.012	23.407	-0.003	-0.003	0.000	0.000	0.000	0.000
195	A	195	ASP	-1	-0.838	-0.908	20.838	-0.187	-0.187	0.000	0.000	0.000	0.000
196	A	196	TYR	0	0.021	-0.006	22.967	0.005	0.005	0.000	0.000	0.000	0.000
197	A	197	TYR	0	-0.024	-0.018	22.894	-0.016	-0.016	0.000	0.000	0.000	0.000
198	A	198	VAL	0	0.020	0.009	25.019	0.011	0.011	0.000	0.000	0.000	0.000
199	A	199	SER	0	-0.002	0.000	27.059	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	200	ASP	-1	-0.882	-0.960	29.081	-0.113	-0.113	0.000	0.000	0.000	0.000
201	A	201	TRP	0	-0.006	-0.005	25.845	0.004	0.004	0.000	0.000	0.000	0.000
202	A	202	ARG	1	0.921	0.958	29.937	0.101	0.101	0.000	0.000	0.000	0.000
203	A	203	PRO	0	-0.021	-0.008	27.886	-0.003	-0.003	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.015	0.034	29.923	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	205	PRO	0	-0.009	0.011	33.686	0.002	0.002	0.000	0.000	0.000	0.000
206	A	206	LEU	0	-0.016	-0.017	36.255	0.006	0.006	0.000	0.000	0.000	0.000
207	A	207	VAL	0	-0.016	0.003	39.134	0.000	0.000	0.000	0.000	0.000	0.000
208	A	208	GLU	-1	-0.728	-0.844	41.364	-0.068	-0.068	0.000	0.000	0.000	0.000
209	A	209	GLY	0	0.037	-0.001	44.583	0.000	0.000	0.000	0.000	0.000	0.000
210	A	210	VAL	0	-0.046	-0.023	48.425	0.002	0.002	0.000	0.000	0.000	0.000
211	A	211	LEU	0	-0.026	0.001	51.807	0.001	0.001	0.000	0.000	0.000	0.000
212	A	212	CYS	0	-0.039	-0.016	54.595	0.001	0.001	0.000	0.000	0.000	0.000
213	A	213	GLU	-1	-0.799	-0.898	57.933	-0.034	-0.034	0.000	0.000	0.000	0.000
214	A	214	GLY	0	0.002	0.015	59.772	0.001	0.001	0.000	0.000	0.000	0.000
215	A	215	THR	0	0.001	-0.013	57.175	0.000	0.000	0.000	0.000	0.000	0.000
216	A	216	LEU	0	0.000	0.017	50.319	0.000	0.000	0.000	0.000	0.000	0.000
217	A	217	GLU	-1	-0.810	-0.872	51.965	-0.049	-0.049	0.000	0.000	0.000	0.000
218	A	218	LEU	0	0.024	0.017	46.891	0.000	0.000	0.000	0.000	0.000	0.000
219	A	219	PHE	0	0.006	-0.025	46.492	0.002	0.002	0.000	0.000	0.000	0.000
220	A	220	ASP	-1	-0.844	-0.928	42.156	-0.088	-0.088	0.000	0.000	0.000	0.000
221	A	221	GLY	0	0.042	0.019	41.919	0.001	0.001	0.000	0.000	0.000	0.000
222	A	222	ALA	0	-0.052	-0.018	42.876	0.000	0.000	0.000	0.000	0.000	0.000
223	A	223	PHE	0	-0.038	-0.011	46.211	0.004	0.004	0.000	0.000	0.000	0.000
224	A	224	SER	0	-0.022	-0.020	48.057	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	225	THR	0	-0.024	-0.025	50.280	0.000	0.000	0.000	0.000	0.000	0.000
226	A	226	SER	0	-0.013	0.004	52.038	0.001	0.001	0.000	0.000	0.000	0.000
227	A	227	ARG	1	0.857	0.890	52.149	0.047	0.047	0.000	0.000	0.000	0.000
228	A	228	ARG	1	0.834	0.909	56.427	0.035	0.035	0.000	0.000	0.000	0.000
229	A	229	VAL	0	-0.001	0.011	54.592	0.000	0.000	0.000	0.000	0.000	0.000
230	A	230	LYS	1	0.835	0.897	58.004	0.033	0.033	0.000	0.000	0.000	0.000
231	A	231	PHE	0	0.045	0.009	52.250	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	232	GLU	-1	-0.802	-0.912	54.193	-0.033	-0.033	0.000	0.000	0.000	0.000
233	A	233	GLU	-1	-0.816	-0.888	55.354	-0.035	-0.035	0.000	0.000	0.000	0.000
234	A	234	LEU	0	0.002	0.004	51.071	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	235	VAL	0	-0.012	0.010	50.235	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	236	GLU	-1	-0.739	-0.838	50.493	-0.034	-0.034	0.000	0.000	0.000	0.000
237	A	237	GLU	-1	-0.774	-0.849	50.476	-0.048	-0.048	0.000	0.000	0.000	0.000
238	A	238	CYS	0	-0.002	0.009	45.484	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	239	VAL	0	-0.024	-0.011	46.858	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	240	ALA	0	-0.010	0.001	48.759	0.000	0.000	0.000	0.000	0.000	0.000
241	A	241	GLU	-1	-0.835	-0.910	45.013	-0.060	-0.060	0.000	0.000	0.000	0.000
242	A	242	ASN	0	-0.004	0.017	42.597	0.001	0.001	0.000	0.000	0.000	0.000
243	A	243	GLY	0	0.053	0.021	42.218	-0.002	-0.002	0.000	0.000	0.000	0.000
244	A	244	GLY	0	0.020	0.027	41.838	-0.002	-0.002	0.000	0.000	0.000	0.000
245	A	245	VAL	0	-0.028	-0.026	43.803	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	246	LEU	0	0.035	0.033	40.536	0.003	0.003	0.000	0.000	0.000	0.000
247	A	247	VAL	0	-0.024	-0.027	45.034	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	248	PHE	0	0.059	0.031	42.045	0.003	0.003	0.000	0.000	0.000	0.000
249	A	249	GLU	-1	-0.780	-0.881	48.205	-0.030	-0.030	0.000	0.000	0.000	0.000
250	A	250	SER	0	-0.001	0.005	50.851	0.001	0.001	0.000	0.000	0.000	0.000
251	A	251	THR	0	-0.032	-0.024	52.963	0.002	0.002	0.000	0.000	0.000	0.000
252	A	252	ARG	1	0.885	0.897	51.783	0.017	0.017	0.000	0.000	0.000	0.000
253	A	253	ARG	1	0.983	0.997	54.422	0.020	0.020	0.000	0.000	0.000	0.000
254	A	254	GLY	0	-0.013	0.002	55.947	0.000	0.000	0.000	0.000	0.000	0.000
255	A	255	ALA	0	0.054	0.015	51.605	0.000	0.000	0.000	0.000	0.000	0.000
256	A	256	GLU	-1	-0.791	-0.875	53.442	-0.019	-0.019	0.000	0.000	0.000	0.000
257	A	257	LYS	1	0.919	0.965	55.790	0.022	0.022	0.000	0.000	0.000	0.000
258	A	258	THR	0	-0.044	-0.044	53.862	0.000	0.000	0.000	0.000	0.000	0.000
259	A	259	ALA	0	0.036	0.023	52.747	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	260	VAL	0	0.047	0.016	54.387	0.000	0.000	0.000	0.000	0.000	0.000
261	A	261	LYS	1	0.815	0.914	57.789	0.028	0.028	0.000	0.000	0.000	0.000
262	A	262	LEU	0	0.015	-0.009	52.630	0.000	0.000	0.000	0.000	0.000	0.000
263	A	263	SER	0	0.001	-0.004	54.908	0.000	0.000	0.000	0.000	0.000	0.000
264	A	264	ALA	0	0.002	0.006	55.896	0.000	0.000	0.000	0.000	0.000	0.000
265	A	265	ILE	0	-0.078	-0.038	54.097	0.000	0.000	0.000	0.000	0.000	0.000
266	A	266	THR	0	-0.010	-0.047	51.312	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	267	ALA	0	0.060	0.035	53.855	0.000	0.000	0.000	0.000	0.000	0.000
268	A	268	LYS	1	0.735	0.872	56.270	0.031	0.031	0.000	0.000	0.000	0.000
269	A	269	TYR	0	-0.102	-0.072	51.590	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	270	VAL	0	-0.037	-0.027	48.949	-0.001	-0.001	0.000	0.000	0.000	0.000
271	A	271	GLU	-1	-0.849	-0.913	52.181	-0.020	-0.020	0.000	0.000	0.000	0.000
272	A	272	ASN	0	-0.073	-0.065	48.864	0.000	0.000	0.000	0.000	0.000	0.000
273	A	273	GLU	-1	-0.904	-0.957	51.225	-0.015	-0.015	0.000	0.000	0.000	0.000
274	A	274	GLY	0	0.019	0.016	50.765	0.001	0.001	0.000	0.000	0.000	0.000
275	A	275	LEU	0	-0.040	-0.044	45.962	0.001	0.001	0.000	0.000	0.000	0.000
276	A	276	GLU	-1	-0.809	-0.883	49.688	-0.016	-0.016	0.000	0.000	0.000	0.000
277	A	277	LYS	1	0.855	0.904	49.915	0.008	0.008	0.000	0.000	0.000	0.000
278	A	278	ALA	0	-0.023	-0.016	47.383	0.001	0.001	0.000	0.000	0.000	0.000
279	A	279	ILE	0	-0.050	-0.012	48.428	0.000	0.000	0.000	0.000	0.000	0.000
280	A	280	LEU	0	0.016	-0.003	50.929	0.001	0.001	0.000	0.000	0.000	0.000
281	A	281	GLU	-1	-0.860	-0.893	49.548	-0.005	-0.005	0.000	0.000	0.000	0.000
282	A	282	GLU	-1	-0.848	-0.930	48.038	-0.007	-0.007	0.000	0.000	0.000	0.000
283	A	283	ASN	0	-0.039	-0.050	51.724	0.000	0.000	0.000	0.000	0.000	0.000
284	A	284	GLU	-1	-0.889	-0.929	54.904	-0.009	-0.009	0.000	0.000	0.000	0.000
285	A	285	GLY	0	0.083	0.036	57.573	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	286	GLU	-1	-0.899	-0.954	59.863	-0.013	-0.013	0.000	0.000	0.000	0.000
287	A	287	MET	0	-0.107	-0.028	52.791	-0.002	-0.002	0.000	0.000	0.000	0.000
288	A	288	SER	0	0.088	0.024	54.064	-0.002	-0.002	0.000	0.000	0.000	0.000
289	A	289	ARG	1	0.908	0.955	55.495	0.010	0.010	0.000	0.000	0.000	0.000
290	A	290	LYS	1	0.852	0.929	57.673	0.017	0.017	0.000	0.000	0.000	0.000
291	A	291	LEU	0	0.000	-0.011	50.109	-0.001	-0.001	0.000	0.000	0.000	0.000
292	A	292	ALA	0	0.018	0.008	53.317	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	293	GLU	-1	-0.744	-0.839	54.365	-0.020	-0.020	0.000	0.000	0.000	0.000
294	A	294	CYS	0	-0.105	-0.050	53.615	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	295	VAL	0	0.026	0.013	49.399	-0.001	-0.001	0.000	0.000	0.000	0.000
296	A	296	ARG	1	0.723	0.842	51.251	0.017	0.017	0.000	0.000	0.000	0.000
297	A	297	LYS	1	0.832	0.910	53.300	0.021	0.021	0.000	0.000	0.000	0.000
298	A	298	GLY	0	0.088	0.071	50.166	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	299	ALA	0	-0.042	-0.017	49.914	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	300	ALA	0	0.031	0.009	48.144	0.002	0.002	0.000	0.000	0.000	0.000
301	A	301	PHE	0	-0.018	-0.004	50.017	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	302	HIS	0	0.003	-0.007	42.882	0.001	0.001	0.000	0.000	0.000	0.000
303	A	303	HIS	0	-0.025	-0.037	47.940	-0.001	-0.001	0.000	0.000	0.000	0.000
304	A	304	ALA	0	0.031	0.004	47.780	0.001	0.001	0.000	0.000	0.000	0.000
305	A	305	GLY	0	0.015	0.004	48.716	0.002	0.002	0.000	0.000	0.000	0.000
306	A	306	LEU	0	-0.031	-0.005	47.789	0.001	0.001	0.000	0.000	0.000	0.000
307	A	307	LEU	0	0.023	0.018	48.457	0.000	0.000	0.000	0.000	0.000	0.000
308	A	308	ASN	0	0.040	0.004	43.409	-0.004	-0.004	0.000	0.000	0.000	0.000
309	A	309	GLY	0	-0.011	0.015	43.469	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	310	GLN	0	0.019	-0.012	44.706	-0.003	-0.003	0.000	0.000	0.000	0.000
311	A	311	ARG	1	0.835	0.918	42.741	0.018	0.018	0.000	0.000	0.000	0.000
312	A	312	ARG	1	1.022	1.014	38.886	0.014	0.014	0.000	0.000	0.000	0.000
313	A	313	VAL	0	-0.003	0.015	41.657	-0.002	-0.002	0.000	0.000	0.000	0.000
314	A	314	VAL	0	-0.001	-0.006	44.078	-0.002	-0.002	0.000	0.000	0.000	0.000
315	A	315	GLU	-1	-0.850	-0.924	39.484	-0.034	-0.034	0.000	0.000	0.000	0.000
316	A	316	ASP	-1	-0.836	-0.916	37.747	-0.035	-0.035	0.000	0.000	0.000	0.000
317	A	317	ALA	0	-0.030	-0.014	39.964	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	318	PHE	0	-0.052	-0.017	40.617	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	319	ARG	1	0.846	0.904	35.403	0.042	0.042	0.000	0.000	0.000	0.000
320	A	320	ARG	1	0.872	0.942	38.615	0.028	0.028	0.000	0.000	0.000	0.000
321	A	321	GLY	0	-0.010	0.011	40.470	0.000	0.000	0.000	0.000	0.000	0.000
322	A	322	ASN	0	0.003	0.006	43.178	0.002	0.002	0.000	0.000	0.000	0.000
323	A	323	ILE	0	-0.051	-0.004	45.082	0.002	0.002	0.000	0.000	0.000	0.000
324	A	324	LYS	1	0.890	0.928	45.169	0.039	0.039	0.000	0.000	0.000	0.000
325	A	325	VAL	0	-0.006	-0.014	46.703	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	326	VAL	0	0.017	0.016	44.488	0.003	0.003	0.000	0.000	0.000	0.000
327	A	327	VAL	0	-0.039	-0.011	47.069	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	328	ALA	0	0.011	-0.001	45.832	0.002	0.002	0.000	0.000	0.000	0.000
329	A	329	THR	0	-0.035	-0.011	47.864	0.000	0.000	0.000	0.000	0.000	0.000
330	A	330	PRO	0	0.038	-0.024	45.192	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	331	THR	0	-0.048	-0.026	43.469	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	332	LEU	0	0.033	0.017	40.834	0.000	0.000	0.000	0.000	0.000	0.000
333	A	333	ALA	0	-0.019	-0.002	40.186	-0.003	-0.003	0.000	0.000	0.000	0.000
334	A	334	ALA	0	0.002	0.022	38.020	-0.004	-0.004	0.000	0.000	0.000	0.000
335	A	335	GLY	0	-0.015	0.009	37.507	0.002	0.002	0.000	0.000	0.000	0.000
336	A	336	VAL	0	0.005	-0.006	34.751	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	337	ASN	0	0.017	0.005	30.543	0.001	0.001	0.000	0.000	0.000	0.000
338	A	338	LEU	0	-0.054	-0.029	34.224	0.005	0.005	0.000	0.000	0.000	0.000
339	A	339	PRO	0	0.033	0.034	34.099	0.001	0.001	0.000	0.000	0.000	0.000
340	A	340	ALA	0	-0.014	-0.013	36.727	0.004	0.004	0.000	0.000	0.000	0.000
341	A	341	ARG	1	0.850	0.909	39.770	0.067	0.067	0.000	0.000	0.000	0.000
342	A	342	ARG	1	0.733	0.833	41.254	0.053	0.053	0.000	0.000	0.000	0.000
343	A	343	VAL	0	0.004	0.016	41.388	0.002	0.002	0.000	0.000	0.000	0.000
344	A	344	ILE	0	-0.030	-0.016	44.494	0.000	0.000	0.000	0.000	0.000	0.000
345	A	345	VAL	0	0.016	0.005	46.239	0.001	0.001	0.000	0.000	0.000	0.000
346	A	346	ARG	1	0.817	0.899	49.015	0.033	0.033	0.000	0.000	0.000	0.000
347	A	347	SER	0	-0.007	-0.008	51.902	0.001	0.001	0.000	0.000	0.000	0.000
348	A	348	LEU	0	0.027	0.028	49.963	-0.001	-0.001	0.000	0.000	0.000	0.000
349	A	349	TYR	0	-0.095	-0.071	51.906	0.001	0.001	0.000	0.000	0.000	0.000
350	A	350	ARG	1	0.849	0.892	47.008	0.034	0.034	0.000	0.000	0.000	0.000
351	A	351	PHE	0	-0.038	-0.010	53.586	0.000	0.000	0.000	0.000	0.000	0.000
352	A	352	ASP	-1	-0.852	-0.919	51.424	-0.027	-0.027	0.000	0.000	0.000	0.000
353	A	353	GLY	0	0.062	0.041	54.638	0.000	0.000	0.000	0.000	0.000	0.000
354	A	354	TYR	0	0.004	-0.013	56.857	0.001	0.001	0.000	0.000	0.000	0.000
355	A	355	SER	0	-0.032	-0.017	57.208	0.000	0.000	0.000	0.000	0.000	0.000
356	A	356	LYS	1	0.870	0.941	51.769	0.028	0.028	0.000	0.000	0.000	0.000
357	A	357	ARG	1	0.868	0.905	51.992	0.034	0.034	0.000	0.000	0.000	0.000
358	A	358	ILE	0	-0.043	0.001	47.073	0.001	0.001	0.000	0.000	0.000	0.000
359	A	359	LYS	1	0.866	0.926	44.354	0.038	0.038	0.000	0.000	0.000	0.000
360	A	360	VAL	0	-0.012	-0.021	43.345	0.000	0.000	0.000	0.000	0.000	0.000
361	A	361	SER	0	0.020	-0.022	40.094	-0.004	-0.004	0.000	0.000	0.000	0.000
362	A	362	GLU	-1	-0.847	-0.896	40.684	-0.041	-0.041	0.000	0.000	0.000	0.000
363	A	363	TYR	0	-0.079	-0.066	42.476	0.001	0.001	0.000	0.000	0.000	0.000
364	A	364	LYS	1	0.847	0.908	39.248	0.070	0.070	0.000	0.000	0.000	0.000
365	A	365	GLN	0	0.007	-0.003	36.539	-0.006	-0.006	0.000	0.000	0.000	0.000
366	A	366	MET	0	-0.081	-0.035	38.508	0.001	0.001	0.000	0.000	0.000	0.000
367	A	367	ALA	0	0.006	-0.007	40.513	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	368	GLY	0	0.012	0.003	36.611	-0.004	-0.004	0.000	0.000	0.000	0.000
369	A	369	ARG	1	0.831	0.912	35.889	0.058	0.058	0.000	0.000	0.000	0.000
370	A	370	ALA	0	-0.037	-0.008	37.700	0.002	0.002	0.000	0.000	0.000	0.000
371	A	371	GLY	0	0.041	0.001	36.677	-0.004	-0.004	0.000	0.000	0.000	0.000
372	A	372	ARG	1	0.808	0.917	34.942	0.061	0.061	0.000	0.000	0.000	0.000
373	A	373	PRO	0	0.030	0.015	29.681	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	374	GLY	0	0.115	0.061	31.424	0.005	0.005	0.000	0.000	0.000	0.000
375	A	375	MET	0	-0.145	-0.068	31.987	0.009	0.009	0.000	0.000	0.000	0.000
376	A	376	ASP	-1	-0.810	-0.889	35.607	-0.070	-0.070	0.000	0.000	0.000	0.000
377	A	377	GLU	-1	-0.905	-0.946	35.856	-0.113	-0.113	0.000	0.000	0.000	0.000
378	A	378	ARG	1	0.815	0.878	37.250	0.071	0.071	0.000	0.000	0.000	0.000
379	A	379	GLY	0	0.042	0.037	38.916	0.004	0.004	0.000	0.000	0.000	0.000
380	A	380	GLU	-1	-0.803	-0.877	40.078	-0.062	-0.062	0.000	0.000	0.000	0.000
381	A	381	ALA	0	0.016	0.004	42.426	0.002	0.002	0.000	0.000	0.000	0.000
382	A	382	ILE	0	-0.041	-0.016	44.419	0.001	0.001	0.000	0.000	0.000	0.000
383	A	383	ILE	0	0.030	0.014	47.843	0.003	0.003	0.000	0.000	0.000	0.000
384	A	384	ILE	0	-0.033	-0.010	50.150	0.001	0.001	0.000	0.000	0.000	0.000
385	A	385	VAL	0	-0.024	-0.015	53.679	0.001	0.001	0.000	0.000	0.000	0.000
386	A	386	GLY	0	0.051	0.017	56.095	0.000	0.000	0.000	0.000	0.000	0.000
387	A	387	LYS	1	0.935	0.937	59.397	0.028	0.028	0.000	0.000	0.000	0.000
388	A	388	ARG	1	0.815	0.894	59.264	0.029	0.029	0.000	0.000	0.000	0.000
389	A	389	ASP	-1	-0.704	-0.800	55.599	-0.034	-0.034	0.000	0.000	0.000	0.000
390	A	390	ARG	1	0.868	0.916	55.023	0.043	0.043	0.000	0.000	0.000	0.000
391	A	391	GLU	-1	-0.848	-0.910	54.572	-0.044	-0.044	0.000	0.000	0.000	0.000
392	A	392	ILE	0	0.045	0.012	52.540	-0.002	-0.002	0.000	0.000	0.000	0.000
393	A	393	ALA	0	-0.006	-0.004	51.056	-0.002	-0.002	0.000	0.000	0.000	0.000
394	A	394	VAL	0	0.045	0.027	49.664	-0.002	-0.002	0.000	0.000	0.000	0.000
395	A	395	LYS	1	0.892	0.933	48.997	0.041	0.041	0.000	0.000	0.000	0.000
396	A	396	ARG	1	0.893	0.944	48.406	0.043	0.043	0.000	0.000	0.000	0.000
397	A	397	TYR	0	-0.056	-0.034	46.361	0.001	0.001	0.000	0.000	0.000	0.000
398	A	398	ILE	0	-0.032	-0.014	45.017	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	399	PHE	0	-0.003	-0.007	44.227	-0.003	-0.003	0.000	0.000	0.000	0.000
400	A	400	GLY	0	-0.023	0.015	45.162	0.000	0.000	0.000	0.000	0.000	0.000
401	A	401	GLU	-1	-0.913	-0.955	40.305	-0.079	-0.079	0.000	0.000	0.000	0.000
402	A	402	PRO	0	-0.054	-0.030	38.347	0.005	0.005	0.000	0.000	0.000	0.000
403	A	403	GLU	-1	-0.755	-0.864	41.247	-0.053	-0.053	0.000	0.000	0.000	0.000
404	A	404	ARG	1	0.845	0.916	40.157	0.044	0.044	0.000	0.000	0.000	0.000
405	A	405	ILE	0	-0.014	0.014	35.343	0.004	0.004	0.000	0.000	0.000	0.000
406	A	406	THR	0	-0.018	-0.021	39.261	0.000	0.000	0.000	0.000	0.000	0.000
407	A	407	SER	0	0.018	-0.014	39.744	0.002	0.002	0.000	0.000	0.000	0.000
408	A	408	LYS	1	0.787	0.871	41.309	0.037	0.037	0.000	0.000	0.000	0.000
409	A	409	LEU	0	0.000	0.015	39.879	0.002	0.002	0.000	0.000	0.000	0.000
410	A	410	GLY	0	0.027	0.038	43.463	0.003	0.003	0.000	0.000	0.000	0.000
411	A	411	VAL	0	-0.050	-0.037	46.391	0.000	0.000	0.000	0.000	0.000	0.000
412	A	412	GLU	-1	-0.833	-0.908	48.242	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	413	THR	0	0.009	0.001	49.202	0.001	0.001	0.000	0.000	0.000	0.000
414	A	414	HIS	0	-0.008	-0.004	44.278	0.003	0.003	0.000	0.000	0.000	0.000
415	A	415	LEU	0	0.046	0.026	44.587	0.001	0.001	0.000	0.000	0.000	0.000
416	A	416	ARG	1	0.856	0.921	46.146	0.005	0.005	0.000	0.000	0.000	0.000
417	A	417	PHE	0	-0.012	-0.012	41.714	0.002	0.002	0.000	0.000	0.000	0.000
418	A	418	HIS	0	0.030	0.010	39.780	0.004	0.004	0.000	0.000	0.000	0.000
419	A	419	SER	0	0.025	-0.006	42.518	0.002	0.002	0.000	0.000	0.000	0.000
420	A	420	LEU	0	-0.010	0.010	44.702	0.002	0.002	0.000	0.000	0.000	0.000
421	A	421	SER	0	-0.017	0.004	39.940	0.002	0.002	0.000	0.000	0.000	0.000
422	A	422	ILE	0	0.012	0.003	39.466	0.003	0.003	0.000	0.000	0.000	0.000
423	A	423	ILE	0	0.009	0.009	41.115	0.003	0.003	0.000	0.000	0.000	0.000
424	A	424	CYS	0	-0.079	-0.038	43.059	0.003	0.003	0.000	0.000	0.000	0.000
425	A	425	ASP	-1	-0.809	-0.902	37.757	0.019	0.019	0.000	0.000	0.000	0.000
426	A	426	GLY	0	-0.040	-0.009	38.227	0.003	0.003	0.000	0.000	0.000	0.000
427	A	427	TYR	0	-0.058	-0.034	32.828	0.002	0.002	0.000	0.000	0.000	0.000
428	A	428	ALA	0	0.008	0.014	38.400	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	429	LYS	1	0.886	0.961	41.691	-0.027	-0.027	0.000	0.000	0.000	0.000
430	A	430	THR	0	0.023	-0.028	44.665	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	431	LEU	0	0.027	0.000	45.803	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	432	GLU	-1	-0.930	-0.953	44.926	0.010	0.010	0.000	0.000	0.000	0.000
433	A	433	GLU	-1	-0.786	-0.883	41.590	0.018	0.018	0.000	0.000	0.000	0.000
434	A	434	LEU	0	-0.024	-0.002	41.461	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	435	GLU	-1	-0.744	-0.841	42.518	-0.006	-0.006	0.000	0.000	0.000	0.000
436	A	436	ASP	-1	-0.859	-0.905	38.431	0.006	0.006	0.000	0.000	0.000	0.000
437	A	437	PHE	0	-0.019	-0.026	35.618	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	438	PHE	0	-0.021	-0.035	37.855	-0.003	-0.003	0.000	0.000	0.000	0.000
439	A	439	ALA	0	0.035	0.044	38.632	-0.004	-0.004	0.000	0.000	0.000	0.000
440	A	440	ASP	-1	-0.825	-0.877	33.405	-0.006	-0.006	0.000	0.000	0.000	0.000
441	A	441	THR	0	-0.081	-0.052	34.441	-0.004	-0.004	0.000	0.000	0.000	0.000
442	A	442	PHE	0	-0.039	-0.028	35.018	-0.001	-0.001	0.000	0.000	0.000	0.000
443	A	443	PHE	0	0.037	-0.002	36.546	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	444	PHE	0	0.053	0.053	38.789	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	445	LYS	1	0.898	0.972	30.831	0.039	0.039	0.000	0.000	0.000	0.000
446	A	446	GLN	0	-0.079	-0.049	37.217	-0.002	-0.002	0.000	0.000	0.000	0.000
447	A	447	ASN	0	-0.116	-0.080	39.838	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	448	GLU	-1	-0.911	-0.957	39.515	-0.028	-0.028	0.000	0.000	0.000	0.000
449	A	449	ILE	0	-0.082	-0.023	43.072	0.002	0.002	0.000	0.000	0.000	0.000
450	A	450	SER	0	-0.010	-0.030	45.044	0.000	0.000	0.000	0.000	0.000	0.000
451	A	451	LEU	0	-0.068	-0.035	44.449	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	452	SER	0	0.013	-0.024	48.039	0.001	0.001	0.000	0.000	0.000	0.000
453	A	453	TYR	0	-0.040	-0.005	50.157	0.001	0.001	0.000	0.000	0.000	0.000
454	A	454	GLU	-1	-0.854	-0.955	49.506	-0.007	-0.007	0.000	0.000	0.000	0.000
455	A	455	LEU	0	0.020	0.008	45.123	0.001	0.001	0.000	0.000	0.000	0.000
456	A	456	GLU	-1	-0.848	-0.897	49.513	0.003	0.003	0.000	0.000	0.000	0.000
457	A	457	ARG	1	0.866	0.926	52.585	0.006	0.006	0.000	0.000	0.000	0.000
458	A	458	VAL	0	-0.017	-0.005	48.469	0.001	0.001	0.000	0.000	0.000	0.000
459	A	459	VAL	0	0.006	0.002	49.104	0.001	0.001	0.000	0.000	0.000	0.000
460	A	460	ARG	1	0.884	0.915	51.585	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	461	GLN	0	-0.022	0.010	53.992	0.001	0.001	0.000	0.000	0.000	0.000
462	A	462	LEU	0	-0.020	-0.019	48.607	0.000	0.000	0.000	0.000	0.000	0.000
463	A	463	GLU	-1	-0.829	-0.904	53.154	0.012	0.012	0.000	0.000	0.000	0.000
464	A	464	ASN	0	-0.068	-0.038	55.668	0.001	0.001	0.000	0.000	0.000	0.000
465	A	465	TRP	0	-0.058	-0.038	53.278	0.000	0.000	0.000	0.000	0.000	0.000
466	A	466	GLY	0	0.070	0.042	56.096	0.000	0.000	0.000	0.000	0.000	0.000
467	A	467	MET	0	-0.087	-0.008	50.691	0.002	0.002	0.000	0.000	0.000	0.000
468	A	468	VAL	0	-0.043	-0.039	48.914	0.001	0.001	0.000	0.000	0.000	0.000
469	A	469	VAL	0	-0.003	0.002	51.616	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	470	GLU	-1	-0.791	-0.904	52.250	0.016	0.016	0.000	0.000	0.000	0.000
471	A	471	ALA	0	-0.110	-0.055	53.479	0.000	0.000	0.000	0.000	0.000	0.000
472	A	472	ALA	0	-0.069	-0.037	52.217	0.000	0.000	0.000	0.000	0.000	0.000
473	A	473	HIS	0	-0.059	-0.035	48.125	0.003	0.003	0.000	0.000	0.000	0.000
474	A	474	LEU	0	0.034	0.026	47.731	0.000	0.000	0.000	0.000	0.000	0.000
475	A	475	ALA	0	-0.020	-0.003	47.786	0.002	0.002	0.000	0.000	0.000	0.000
476	A	476	PRO	0	0.016	0.023	45.351	-0.002	-0.002	0.000	0.000	0.000	0.000
477	A	477	THR	0	-0.017	-0.038	48.545	0.002	0.002	0.000	0.000	0.000	0.000
478	A	478	LYS	1	0.953	0.965	49.596	-0.022	-0.022	0.000	0.000	0.000	0.000
479	A	479	LEU	0	0.070	0.046	50.038	0.000	0.000	0.000	0.000	0.000	0.000
480	A	480	GLY	0	0.069	0.030	49.517	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	481	SER	0	-0.018	-0.033	45.887	0.000	0.000	0.000	0.000	0.000	0.000
482	A	482	LEU	0	-0.091	-0.039	45.603	0.001	0.001	0.000	0.000	0.000	0.000
483	A	483	VAL	0	0.033	0.011	46.906	0.000	0.000	0.000	0.000	0.000	0.000
484	A	484	SER	0	-0.004	-0.001	42.612	-0.002	-0.002	0.000	0.000	0.000	0.000
485	A	485	ARG	1	0.915	0.974	41.872	-0.022	-0.022	0.000	0.000	0.000	0.000
486	A	486	LEU	0	-0.018	-0.002	42.762	0.000	0.000	0.000	0.000	0.000	0.000
487	A	487	TYR	0	-0.105	-0.071	38.953	-0.003	-0.003	0.000	0.000	0.000	0.000
488	A	488	ILE	0	0.015	0.020	43.835	-0.002	-0.002	0.000	0.000	0.000	0.000
489	A	489	ASP	-1	-0.789	-0.888	47.351	-0.002	-0.002	0.000	0.000	0.000	0.000
490	A	490	PRO	0	0.034	-0.001	48.226	0.001	0.001	0.000	0.000	0.000	0.000
491	A	491	LEU	0	-0.030	-0.001	51.049	0.001	0.001	0.000	0.000	0.000	0.000
492	A	492	THR	0	-0.051	-0.065	51.280	0.000	0.000	0.000	0.000	0.000	0.000
493	A	493	GLY	0	0.015	0.001	52.239	0.001	0.001	0.000	0.000	0.000	0.000
494	A	494	PHE	0	0.005	0.002	53.183	0.001	0.001	0.000	0.000	0.000	0.000
495	A	495	ILE	0	-0.008	-0.001	56.450	0.000	0.000	0.000	0.000	0.000	0.000
496	A	496	PHE	0	0.027	-0.005	52.841	0.000	0.000	0.000	0.000	0.000	0.000
497	A	497	HIS	0	0.058	0.022	56.553	0.001	0.001	0.000	0.000	0.000	0.000
498	A	498	ASP	-1	-0.851	-0.882	58.410	0.005	0.005	0.000	0.000	0.000	0.000
499	A	499	VAL	0	0.000	-0.003	61.549	0.000	0.000	0.000	0.000	0.000	0.000
500	A	500	LEU	0	0.017	0.004	58.673	0.000	0.000	0.000	0.000	0.000	0.000
501	A	501	SER	0	-0.040	-0.016	61.563	0.001	0.001	0.000	0.000	0.000	0.000
502	A	502	ARG	1	0.760	0.847	63.297	-0.005	-0.005	0.000	0.000	0.000	0.000
503	A	503	MET	0	-0.067	-0.019	65.920	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	504	GLU	-1	-0.916	-0.960	65.482	0.009	0.009	0.000	0.000	0.000	0.000
505	A	505	LEU	0	-0.074	-0.030	62.865	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	506	SER	0	0.028	-0.018	65.945	0.000	0.000	0.000	0.000	0.000	0.000
507	A	507	ASP	-1	-0.763	-0.865	63.470	0.005	0.005	0.000	0.000	0.000	0.000
508	A	508	ILE	0	0.005	-0.010	63.203	0.000	0.000	0.000	0.000	0.000	0.000
509	A	509	GLY	0	0.064	0.039	64.586	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	510	ALA	0	0.026	0.013	60.650	0.000	0.000	0.000	0.000	0.000	0.000
511	A	511	LEU	0	-0.008	-0.011	58.743	0.000	0.000	0.000	0.000	0.000	0.000
512	A	512	HIS	0	-0.013	-0.017	59.977	0.000	0.000	0.000	0.000	0.000	0.000
513	A	513	LEU	0	-0.017	-0.002	59.240	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	514	ILE	0	0.001	-0.012	54.752	0.000	0.000	0.000	0.000	0.000	0.000
515	A	515	CYS	0	-0.075	-0.038	56.351	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	516	ARG	1	0.875	0.954	58.537	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	517	THR	0	0.014	0.024	53.443	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	518	PRO	0	0.011	0.001	52.810	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	519	ASP	-1	-0.795	-0.866	48.782	-0.004	-0.004	0.000	0.000	0.000	0.000
520	A	520	MET	0	-0.059	0.006	50.528	0.000	0.000	0.000	0.000	0.000	0.000
521	A	521	GLU	-1	-0.832	-0.883	51.020	-0.014	-0.014	0.000	0.000	0.000	0.000
522	A	522	ARG	1	0.844	0.902	53.389	0.007	0.007	0.000	0.000	0.000	0.000
523	A	523	LEU	0	-0.016	-0.009	57.153	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	524	THR	0	-0.047	-0.020	59.410	0.000	0.000	0.000	0.000	0.000	0.000
525	A	525	VAL	0	0.094	0.067	61.448	0.000	0.000	0.000	0.000	0.000	0.000
526	A	526	ARG	1	0.800	0.878	60.281	0.011	0.011	0.000	0.000	0.000	0.000
527	A	527	LYS	1	0.951	0.953	67.106	0.012	0.012	0.000	0.000	0.000	0.000
528	A	528	THR	0	0.036	0.026	69.112	0.000	0.000	0.000	0.000	0.000	0.000
529	A	529	ASP	-1	-0.825	-0.887	66.413	-0.008	-0.008	0.000	0.000	0.000	0.000
530	A	530	SER	0	0.052	0.018	69.722	0.000	0.000	0.000	0.000	0.000	0.000
531	A	531	TRP	0	0.050	0.029	66.641	0.001	0.001	0.000	0.000	0.000	0.000
532	A	532	VAL	0	-0.046	-0.022	67.134	0.001	0.001	0.000	0.000	0.000	0.000
533	A	533	GLU	-1	-0.826	-0.880	70.161	-0.004	-0.004	0.000	0.000	0.000	0.000
534	A	534	GLU	-1	-0.930	-0.968	72.706	-0.003	-0.003	0.000	0.000	0.000	0.000
535	A	535	GLU	-1	-0.824	-0.875	69.982	0.000	0.000	0.000	0.000	0.000	0.000
536	A	536	ALA	0	0.015	0.000	70.000	0.001	0.001	0.000	0.000	0.000	0.000
537	A	537	PHE	0	0.019	0.009	71.489	0.001	0.001	0.000	0.000	0.000	0.000
538	A	538	ARG	1	0.764	0.848	72.276	0.001	0.001	0.000	0.000	0.000	0.000
539	A	539	LEU	0	0.012	0.005	68.914	0.000	0.000	0.000	0.000	0.000	0.000
540	A	540	ARG	1	0.879	0.947	71.798	0.001	0.001	0.000	0.000	0.000	0.000
541	A	541	LYS	1	0.898	0.945	73.283	-0.002	-0.002	0.000	0.000	0.000	0.000
542	A	542	GLU	-1	-0.880	-0.901	69.416	0.003	0.003	0.000	0.000	0.000	0.000
543	A	543	LEU	0	-0.047	-0.014	66.825	0.000	0.000	0.000	0.000	0.000	0.000
544	A	544	SER	0	0.033	0.028	64.599	0.000	0.000	0.000	0.000	0.000	0.000
545	A	545	TYR	0	-0.098	-0.081	64.462	0.000	0.000	0.000	0.000	0.000	0.000
546	A	546	TYR	0	0.020	-0.003	68.908	0.000	0.000	0.000	0.000	0.000	0.000
547	A	547	PRO	0	-0.009	0.020	68.663	0.000	0.000	0.000	0.000	0.000	0.000
548	A	548	SER	0	-0.031	-0.032	71.667	0.000	0.000	0.000	0.000	0.000	0.000
549	A	549	ASP	-1	-0.782	-0.901	73.614	-0.004	-0.004	0.000	0.000	0.000	0.000
550	A	550	PHE	0	-0.081	-0.039	75.210	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	551	SER	0	-0.103	-0.056	70.205	0.000	0.000	0.000	0.000	0.000	0.000
552	A	552	VAL	0	0.006	-0.006	68.595	0.000	0.000	0.000	0.000	0.000	0.000
553	A	553	GLU	-1	-0.868	-0.919	65.996	-0.005	-0.005	0.000	0.000	0.000	0.000
554	A	554	TYR	0	-0.051	-0.041	66.831	0.000	0.000	0.000	0.000	0.000	0.000
555	A	555	ASP	-1	-0.877	-0.953	66.773	-0.008	-0.008	0.000	0.000	0.000	0.000
556	A	556	TRP	0	-0.067	-0.026	57.783	0.000	0.000	0.000	0.000	0.000	0.000
557	A	557	PHE	0	0.045	0.026	63.474	0.000	0.000	0.000	0.000	0.000	0.000
558	A	558	LEU	0	0.025	0.013	65.604	0.000	0.000	0.000	0.000	0.000	0.000
559	A	559	SER	0	-0.053	-0.033	61.047	0.000	0.000	0.000	0.000	0.000	0.000
560	A	560	GLU	-1	-0.778	-0.875	61.100	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	561	VAL	0	0.042	0.012	62.159	0.001	0.001	0.000	0.000	0.000	0.000
562	A	562	LYS	1	0.763	0.873	63.027	0.009	0.009	0.000	0.000	0.000	0.000
563	A	563	THR	0	-0.032	-0.028	57.538	0.000	0.000	0.000	0.000	0.000	0.000
564	A	564	ALA	0	0.061	0.021	60.319	0.000	0.000	0.000	0.000	0.000	0.000
565	A	565	LEU	0	-0.030	-0.017	61.877	0.001	0.001	0.000	0.000	0.000	0.000
566	A	566	CYS	0	-0.073	-0.018	59.931	0.000	0.000	0.000	0.000	0.000	0.000
567	A	567	LEU	0	0.031	0.008	55.837	0.000	0.000	0.000	0.000	0.000	0.000
568	A	568	LYS	1	0.829	0.899	59.762	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	569	ASP	-1	-0.805	-0.875	63.173	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	570	TRP	0	-0.065	-0.033	54.339	0.000	0.000	0.000	0.000	0.000	0.000
571	A	571	ILE	0	-0.009	0.001	58.513	0.001	0.001	0.000	0.000	0.000	0.000
572	A	572	GLU	-1	-0.837	-0.874	60.898	0.005	0.005	0.000	0.000	0.000	0.000
573	A	573	GLU	-1	-0.783	-0.874	62.062	0.005	0.005	0.000	0.000	0.000	0.000
574	A	574	LYS	1	0.799	0.903	63.135	0.002	0.002	0.000	0.000	0.000	0.000
575	A	575	ASP	-1	-0.764	-0.897	61.512	-0.004	-0.004	0.000	0.000	0.000	0.000
576	A	576	GLU	-1	-0.778	-0.893	55.310	-0.003	-0.003	0.000	0.000	0.000	0.000
577	A	577	ASP	-1	-0.810	-0.894	59.446	-0.009	-0.009	0.000	0.000	0.000	0.000
578	A	578	GLU	-1	-0.849	-0.912	61.085	-0.003	-0.003	0.000	0.000	0.000	0.000
579	A	579	ILE	0	-0.018	0.005	59.858	0.000	0.000	0.000	0.000	0.000	0.000
580	A	580	CYS	0	-0.050	-0.030	58.102	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	581	ALA	0	-0.016	-0.011	60.522	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	582	LYS	1	0.799	0.892	64.042	0.003	0.003	0.000	0.000	0.000	0.000
583	A	583	TYR	0	0.037	-0.010	61.626	0.000	0.000	0.000	0.000	0.000	0.000
584	A	584	GLY	0	-0.012	0.009	62.477	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	585	ILE	0	-0.089	-0.036	56.913	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	586	ALA	0	0.010	0.012	54.483	0.000	0.000	0.000	0.000	0.000	0.000
587	A	587	PRO	0	0.080	0.027	53.409	0.000	0.000	0.000	0.000	0.000	0.000
588	A	588	GLY	0	-0.013	-0.008	50.341	0.001	0.001	0.000	0.000	0.000	0.000
589	A	589	ASP	-1	-0.718	-0.832	50.517	-0.015	-0.015	0.000	0.000	0.000	0.000
590	A	590	LEU	0	0.009	0.021	52.971	0.001	0.001	0.000	0.000	0.000	0.000
591	A	591	ARG	1	0.801	0.885	50.005	0.006	0.006	0.000	0.000	0.000	0.000
592	A	592	ARG	1	0.776	0.861	47.944	0.014	0.014	0.000	0.000	0.000	0.000
593	A	593	ILE	0	0.010	0.008	49.976	0.001	0.001	0.000	0.000	0.000	0.000
594	A	594	VAL	0	0.019	0.006	52.100	0.001	0.001	0.000	0.000	0.000	0.000
595	A	595	GLU	-1	-0.811	-0.861	45.453	-0.004	-0.004	0.000	0.000	0.000	0.000
596	A	596	THR	0	-0.026	-0.028	48.886	0.001	0.001	0.000	0.000	0.000	0.000
597	A	597	ALA	0	0.040	0.008	49.853	0.001	0.001	0.000	0.000	0.000	0.000
598	A	598	GLU	-1	-0.820	-0.883	48.726	0.009	0.009	0.000	0.000	0.000	0.000
599	A	599	TRP	0	-0.038	-0.020	45.787	0.001	0.001	0.000	0.000	0.000	0.000
600	A	600	LEU	0	0.021	0.004	48.603	0.001	0.001	0.000	0.000	0.000	0.000
601	A	601	SER	0	0.032	0.002	51.414	0.001	0.001	0.000	0.000	0.000	0.000
602	A	602	ASN	0	-0.063	-0.036	47.214	0.002	0.002	0.000	0.000	0.000	0.000
603	A	603	ALA	0	-0.021	-0.015	49.275	0.001	0.001	0.000	0.000	0.000	0.000
604	A	604	MET	0	-0.020	0.004	50.774	0.001	0.001	0.000	0.000	0.000	0.000
605	A	605	ASN	0	-0.054	-0.027	53.423	0.000	0.000	0.000	0.000	0.000	0.000
606	A	606	ARG	1	0.890	0.924	47.244	-0.020	-0.020	0.000	0.000	0.000	0.000
607	A	607	ILE	0	-0.055	-0.019	51.891	0.001	0.001	0.000	0.000	0.000	0.000
608	A	608	ALA	0	0.000	0.011	54.768	0.000	0.000	0.000	0.000	0.000	0.000
609	A	609	GLU	-1	-0.846	-0.932	53.943	0.017	0.017	0.000	0.000	0.000	0.000
610	A	610	GLU	-1	-0.907	-0.953	50.989	0.020	0.020	0.000	0.000	0.000	0.000
611	A	611	VAL	0	-0.068	-0.026	55.868	0.000	0.000	0.000	0.000	0.000	0.000
612	A	612	GLY	0	-0.024	-0.007	59.266	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	613	ASN	0	-0.021	0.005	60.991	0.000	0.000	0.000	0.000	0.000	0.000
614	A	614	THR	0	0.045	-0.001	60.240	0.000	0.000	0.000	0.000	0.000	0.000
615	A	615	SER	0	-0.053	-0.032	61.789	0.000	0.000	0.000	0.000	0.000	0.000
616	A	616	VAL	0	0.006	0.001	58.180	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	617	SER	0	0.043	0.030	58.103	0.000	0.000	0.000	0.000	0.000	0.000
618	A	618	GLY	0	0.006	0.008	57.345	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	619	LEU	0	-0.001	-0.003	57.635	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	620	THR	0	0.045	0.020	51.463	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	621	GLU	-1	-0.802	-0.866	53.171	0.014	0.014	0.000	0.000	0.000	0.000
622	A	622	ARG	1	0.795	0.867	54.700	-0.006	-0.006	0.000	0.000	0.000	0.000
623	A	623	ILE	0	-0.017	-0.013	53.476	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	624	LYS	1	0.817	0.904	46.820	-0.010	-0.010	0.000	0.000	0.000	0.000
625	A	625	HIS	0	-0.014	-0.011	51.581	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	626	GLY	0	-0.001	0.009	54.837	-0.001	-0.001	0.000	0.000	0.000	0.000
627	A	627	VAL	0	-0.053	-0.047	57.918	0.000	0.000	0.000	0.000	0.000	0.000
628	A	628	LYS	1	0.858	0.915	60.449	-0.004	-0.004	0.000	0.000	0.000	0.000
629	A	629	GLU	-1	-0.877	-0.954	61.548	0.011	0.011	0.000	0.000	0.000	0.000
630	A	630	GLU	-1	-0.795	-0.864	61.917	0.008	0.008	0.000	0.000	0.000	0.000
631	A	631	LEU	0	-0.033	-0.021	60.485	0.000	0.000	0.000	0.000	0.000	0.000
632	A	632	LEU	0	-0.004	0.005	56.725	0.000	0.000	0.000	0.000	0.000	0.000
633	A	633	GLU	-1	-0.848	-0.925	56.852	0.017	0.017	0.000	0.000	0.000	0.000
634	A	634	LEU	0	-0.100	-0.039	57.463	0.001	0.001	0.000	0.000	0.000	0.000
635	A	635	VAL	0	-0.023	-0.017	55.044	0.000	0.000	0.000	0.000	0.000	0.000
636	A	636	ARG	1	0.787	0.882	52.352	-0.015	-0.015	0.000	0.000	0.000	0.000
637	A	637	ILE	0	-0.088	-0.018	51.505	0.002	0.002	0.000	0.000	0.000	0.000
638	A	638	ARG	1	1.003	0.992	43.833	-0.020	-0.020	0.000	0.000	0.000	0.000
639	A	639	HIS	0	-0.014	-0.026	47.106	0.001	0.001	0.000	0.000	0.000	0.000
640	A	640	ILE	0	-0.019	0.003	51.695	-0.002	-0.002	0.000	0.000	0.000	0.000
641	A	641	GLY	0	0.104	0.046	53.926	0.000	0.000	0.000	0.000	0.000	0.000
642	A	642	ARG	1	0.827	0.916	55.637	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	643	VAL	0	0.034	0.027	58.725	0.000	0.000	0.000	0.000	0.000	0.000
644	A	644	ARG	1	0.882	0.933	53.100	-0.005	-0.005	0.000	0.000	0.000	0.000
645	A	645	ALA	0	0.063	0.027	58.741	0.000	0.000	0.000	0.000	0.000	0.000
646	A	646	ARG	1	0.783	0.870	60.585	-0.005	-0.005	0.000	0.000	0.000	0.000
647	A	647	LYS	1	0.848	0.914	62.986	-0.004	-0.004	0.000	0.000	0.000	0.000
648	A	648	LEU	0	-0.017	-0.016	59.939	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	TYR	0	0.051	-0.002	64.144	0.000	0.000	0.000	0.000	0.000	0.000
650	A	650	ASN	0	0.007	0.004	65.729	0.001	0.001	0.000	0.000	0.000	0.000
651	A	651	ALA	0	-0.011	0.008	67.501	0.000	0.000	0.000	0.000	0.000	0.000
652	A	652	GLY	0	-0.017	-0.012	68.563	0.000	0.000	0.000	0.000	0.000	0.000
653	A	653	ILE	0	-0.076	-0.029	62.499	0.001	0.001	0.000	0.000	0.000	0.000
654	A	654	ARG	1	0.888	0.918	63.650	-0.009	-0.009	0.000	0.000	0.000	0.000
655	A	655	ASN	0	0.041	0.027	60.373	0.001	0.001	0.000	0.000	0.000	0.000
656	A	656	ALA	0	0.069	0.015	56.350	0.000	0.000	0.000	0.000	0.000	0.000
657	A	657	GLU	-1	-0.807	-0.891	58.181	0.019	0.019	0.000	0.000	0.000	0.000
658	A	658	ASP	-1	-0.823	-0.897	60.483	0.013	0.013	0.000	0.000	0.000	0.000
659	A	659	ILE	0	-0.004	-0.013	57.587	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	660	VAL	0	-0.012	-0.005	57.428	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	ARG	1	0.825	0.898	60.154	-0.018	-0.018	0.000	0.000	0.000	0.000
662	A	662	HIS	0	-0.034	-0.011	63.497	-0.001	-0.001	0.000	0.000	0.000	0.000
663	A	663	ARG	1	0.884	0.941	58.010	-0.015	-0.015	0.000	0.000	0.000	0.000
664	A	664	GLU	-1	-0.774	-0.884	62.039	0.011	0.011	0.000	0.000	0.000	0.000
665	A	665	LYS	1	0.888	0.954	64.478	-0.010	-0.010	0.000	0.000	0.000	0.000
666	A	666	VAL	0	0.007	0.001	59.653	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	667	ALA	0	0.000	-0.007	61.056	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	668	SER	0	-0.063	-0.014	62.050	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	669	LEU	0	-0.034	-0.012	63.986	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	670	ILE	0	-0.004	-0.010	57.815	-0.001	-0.001	0.000	0.000	0.000	0.000
671	A	671	GLY	0	0.045	0.040	59.141	0.000	0.000	0.000	0.000	0.000	0.000
672	A	672	ARG	1	0.761	0.838	58.677	-0.010	-0.010	0.000	0.000	0.000	0.000
673	A	673	GLY	0	0.077	0.037	55.125	0.001	0.001	0.000	0.000	0.000	0.000
674	A	674	ILE	0	-0.022	-0.007	54.091	0.001	0.001	0.000	0.000	0.000	0.000
675	A	675	ALA	0	0.028	0.016	54.940	0.001	0.001	0.000	0.000	0.000	0.000
676	A	676	GLU	-1	-0.749	-0.849	53.867	0.013	0.013	0.000	0.000	0.000	0.000
677	A	677	ARG	1	0.768	0.854	47.755	-0.015	-0.015	0.000	0.000	0.000	0.000
678	A	678	VAL	0	-0.006	-0.007	51.200	0.001	0.001	0.000	0.000	0.000	0.000
679	A	679	VAL	0	0.005	-0.004	53.181	0.001	0.001	0.000	0.000	0.000	0.000
680	A	680	GLU	-1	-0.797	-0.847	47.456	0.022	0.022	0.000	0.000	0.000	0.000
681	A	681	GLY	0	0.026	0.016	48.971	0.002	0.002	0.000	0.000	0.000	0.000
682	A	682	ILE	0	-0.058	-0.027	50.047	0.001	0.001	0.000	0.000	0.000	0.000
683	A	683	SER	0	-0.053	-0.038	50.619	0.002	0.002	0.000	0.000	0.000	0.000
684	A	684	VAL	0	0.014	0.003	44.813	0.001	0.001	0.000	0.000	0.000	0.000
685	A	685	LYS	1	0.874	0.945	46.709	-0.022	-0.022	0.000	0.000	0.000	0.000
686	A	686	SER	0	-0.008	0.015	48.767	-0.001	-0.001	0.000	0.000	0.000	0.000

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