FMO DATABASE

FMODB ID: ZN26N

Calculation Name: 1CEZ-A-Xray372

Preferred Name: DNA-directed RNA polymerase

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 1CEZ

Chain ID: A

ChEMBL ID: CHEMBL1075072

UniProt ID: P00573

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
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	862
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23847874.603744
FMO2-HF: Nuclear repulsion	23507006.632534
FMO2-HF: Total energy	-340867.97121
FMO2-MP2: Total energy	-341857.422252

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:6:ILE)

Summations of interaction energy for fragment #1(A:6:ILE)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-26.266	-22.584	23.514	-11.478	-15.717	-0.072

Interaction energy analysis for fragmet #1(A:6:ILE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.042 / q_NPA : -0.038

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	8	LYS	1	0.884	0.939	1.927	-9.729	-8.330	6.890	-2.641	-5.648	0.011
4	A	9	ASN	0	0.016	-0.005	2.413	-1.344	-0.461	1.638	-0.613	-1.908	-0.016
5	A	10	ASP	-1	-0.871	-0.921	1.961	-16.222	-17.076	14.894	-7.674	-6.366	-0.066
6	A	11	PHE	0	-0.011	0.008	3.342	-0.507	0.205	0.007	-0.212	-0.508	0.000
7	A	12	SER	0	0.049	0.027	6.646	0.398	0.398	0.000	0.000	0.000	0.000
8	A	13	ASP	-1	-0.881	-0.959	10.362	-0.261	-0.261	0.000	0.000	0.000	0.000
9	A	14	ILE	0	-0.024	-0.019	12.533	0.032	0.032	0.000	0.000	0.000	0.000
10	A	15	GLU	-1	-0.867	-0.939	9.809	-1.080	-1.080	0.000	0.000	0.000	0.000
11	A	16	LEU	0	-0.007	-0.009	7.151	0.016	0.016	0.000	0.000	0.000	0.000
12	A	17	ALA	0	0.027	0.006	11.053	0.078	0.078	0.000	0.000	0.000	0.000
13	A	18	ALA	0	0.024	0.000	14.222	0.058	0.058	0.000	0.000	0.000	0.000
14	A	19	ILE	0	-0.090	-0.029	9.828	0.045	0.045	0.000	0.000	0.000	0.000
15	A	20	PRO	0	0.048	0.013	11.819	0.021	0.021	0.000	0.000	0.000	0.000
16	A	21	PHE	0	-0.012	0.004	14.201	0.050	0.050	0.000	0.000	0.000	0.000
17	A	22	ASN	0	0.111	0.047	15.820	0.085	0.085	0.000	0.000	0.000	0.000
18	A	23	THR	0	0.019	0.041	13.851	0.035	0.035	0.000	0.000	0.000	0.000
19	A	24	LEU	0	-0.025	-0.020	16.714	0.039	0.039	0.000	0.000	0.000	0.000
20	A	25	ALA	0	-0.010	-0.008	18.777	0.033	0.033	0.000	0.000	0.000	0.000
21	A	26	ASP	-1	-0.985	-0.987	19.386	-0.291	-0.291	0.000	0.000	0.000	0.000
22	A	27	HIS	1	0.895	0.938	17.531	0.322	0.322	0.000	0.000	0.000	0.000
23	A	28	TYR	0	-0.029	-0.051	19.523	0.003	0.003	0.000	0.000	0.000	0.000
24	A	29	GLY	0	0.049	0.021	24.038	0.020	0.020	0.000	0.000	0.000	0.000
25	A	30	GLU	-1	-0.810	-0.914	24.356	-0.151	-0.151	0.000	0.000	0.000	0.000
26	A	31	ARG	1	0.901	0.965	25.428	0.089	0.089	0.000	0.000	0.000	0.000
27	A	32	LEU	0	0.037	0.003	24.961	0.006	0.006	0.000	0.000	0.000	0.000
28	A	33	ALA	0	0.033	0.043	21.052	0.007	0.007	0.000	0.000	0.000	0.000
29	A	34	ARG	1	0.842	0.914	21.459	0.138	0.138	0.000	0.000	0.000	0.000
30	A	35	GLU	-1	-0.901	-0.950	23.490	-0.061	-0.061	0.000	0.000	0.000	0.000
31	A	36	GLN	0	0.057	-0.002	19.060	0.016	0.016	0.000	0.000	0.000	0.000
32	A	37	LEU	0	0.016	0.010	16.540	0.012	0.012	0.000	0.000	0.000	0.000
33	A	38	ALA	0	-0.054	-0.025	20.115	0.016	0.016	0.000	0.000	0.000	0.000
34	A	39	LEU	0	-0.026	-0.001	22.884	0.013	0.013	0.000	0.000	0.000	0.000
35	A	40	GLU	-1	-0.779	-0.865	16.600	-0.052	-0.052	0.000	0.000	0.000	0.000
36	A	41	HIS	0	-0.017	-0.027	17.486	0.030	0.030	0.000	0.000	0.000	0.000
37	A	42	GLU	-1	-0.818	-0.894	21.366	-0.010	-0.010	0.000	0.000	0.000	0.000
38	A	43	SER	0	-0.107	-0.070	20.459	0.004	0.004	0.000	0.000	0.000	0.000
39	A	44	TYR	0	-0.023	-0.022	16.917	0.012	0.012	0.000	0.000	0.000	0.000
40	A	45	GLU	-1	-0.861	-0.952	22.626	-0.011	-0.011	0.000	0.000	0.000	0.000
41	A	46	MET	0	-0.025	0.023	25.519	-0.007	-0.007	0.000	0.000	0.000	0.000
42	A	47	GLY	0	0.002	-0.004	28.203	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	48	GLU	-1	-0.849	-0.950	29.049	-0.024	-0.024	0.000	0.000	0.000	0.000
44	A	49	ALA	0	-0.036	-0.021	31.312	0.001	0.001	0.000	0.000	0.000	0.000
45	A	50	ARG	1	0.924	0.951	28.045	0.053	0.053	0.000	0.000	0.000	0.000
46	A	51	PHE	0	0.070	0.031	33.225	0.002	0.002	0.000	0.000	0.000	0.000
47	A	52	ARG	1	0.999	1.018	35.021	0.021	0.021	0.000	0.000	0.000	0.000
48	A	53	LYS	1	0.910	0.950	36.173	0.035	0.035	0.000	0.000	0.000	0.000
49	A	54	MET	0	-0.078	-0.039	36.189	0.001	0.001	0.000	0.000	0.000	0.000
50	A	55	PHE	0	-0.025	0.018	38.850	0.002	0.002	0.000	0.000	0.000	0.000
51	A	72	PRO	0	0.044	0.021	39.028	0.000	0.000	0.000	0.000	0.000	0.000
52	A	73	LEU	0	0.069	0.047	38.642	-0.001	-0.001	0.000	0.000	0.000	0.000
53	A	74	ILE	0	0.031	0.022	32.903	0.001	0.001	0.000	0.000	0.000	0.000
54	A	75	THR	0	-0.035	-0.048	36.684	0.000	0.000	0.000	0.000	0.000	0.000
55	A	76	THR	0	-0.074	-0.037	39.143	0.000	0.000	0.000	0.000	0.000	0.000
56	A	77	LEU	0	0.035	-0.005	36.275	0.000	0.000	0.000	0.000	0.000	0.000
57	A	78	LEU	0	0.034	0.029	31.736	0.002	0.002	0.000	0.000	0.000	0.000
58	A	79	PRO	0	-0.004	0.008	35.427	0.002	0.002	0.000	0.000	0.000	0.000
59	A	80	LYS	1	0.940	0.968	37.766	-0.011	-0.011	0.000	0.000	0.000	0.000
60	A	81	MET	0	-0.002	0.023	32.267	0.002	0.002	0.000	0.000	0.000	0.000
61	A	82	ILE	0	-0.014	-0.019	32.461	0.003	0.003	0.000	0.000	0.000	0.000
62	A	83	ALA	0	-0.012	-0.015	34.673	0.002	0.002	0.000	0.000	0.000	0.000
63	A	84	ARG	1	0.839	0.934	37.265	-0.036	-0.036	0.000	0.000	0.000	0.000
64	A	85	ILE	0	-0.005	-0.018	30.870	0.004	0.004	0.000	0.000	0.000	0.000
65	A	86	ASN	0	-0.008	-0.016	33.535	0.005	0.005	0.000	0.000	0.000	0.000
66	A	87	ASP	-1	-0.854	-0.917	35.466	0.023	0.023	0.000	0.000	0.000	0.000
67	A	88	TRP	0	-0.005	-0.008	31.322	0.005	0.005	0.000	0.000	0.000	0.000
68	A	89	PHE	0	-0.024	-0.037	29.545	0.003	0.003	0.000	0.000	0.000	0.000
69	A	90	GLU	-1	-0.931	-0.957	35.166	0.022	0.022	0.000	0.000	0.000	0.000
70	A	91	GLU	-1	-0.902	-0.953	38.422	0.037	0.037	0.000	0.000	0.000	0.000
71	A	92	VAL	0	-0.085	-0.033	34.348	0.002	0.002	0.000	0.000	0.000	0.000
72	A	93	LYS	1	0.907	0.944	32.364	-0.036	-0.036	0.000	0.000	0.000	0.000
73	A	94	ALA	0	0.028	0.031	37.566	0.000	0.000	0.000	0.000	0.000	0.000
74	A	95	LYS	1	0.946	0.990	40.390	-0.039	-0.039	0.000	0.000	0.000	0.000
75	A	96	ARG	1	1.008	1.007	40.267	-0.036	-0.036	0.000	0.000	0.000	0.000
76	A	97	GLY	0	0.012	0.000	40.257	0.000	0.000	0.000	0.000	0.000	0.000
77	A	98	LYS	1	0.950	0.970	34.561	-0.084	-0.084	0.000	0.000	0.000	0.000
78	A	99	ARG	1	0.905	0.961	33.209	-0.058	-0.058	0.000	0.000	0.000	0.000
79	A	100	PRO	0	-0.012	-0.007	33.643	0.006	0.006	0.000	0.000	0.000	0.000
80	A	101	THR	0	0.046	0.008	28.584	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	102	ALA	0	0.015	0.018	28.794	0.005	0.005	0.000	0.000	0.000	0.000
82	A	103	PHE	0	0.019	0.009	28.397	0.003	0.003	0.000	0.000	0.000	0.000
83	A	104	GLN	0	-0.028	-0.006	27.046	-0.006	-0.006	0.000	0.000	0.000	0.000
84	A	105	PHE	0	-0.034	-0.010	22.264	0.000	0.000	0.000	0.000	0.000	0.000
85	A	106	LEU	0	0.019	-0.031	24.370	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	107	GLN	0	-0.104	-0.034	26.661	-0.014	-0.014	0.000	0.000	0.000	0.000
87	A	108	GLU	-1	-0.893	-0.942	22.683	0.063	0.063	0.000	0.000	0.000	0.000
88	A	109	ILE	0	-0.083	-0.012	22.393	-0.007	-0.007	0.000	0.000	0.000	0.000
89	A	110	LYS	1	0.934	0.981	24.079	0.014	0.014	0.000	0.000	0.000	0.000
90	A	111	PRO	0	0.087	0.028	26.119	0.005	0.005	0.000	0.000	0.000	0.000
91	A	112	GLU	-1	-0.891	-0.959	28.479	0.009	0.009	0.000	0.000	0.000	0.000
92	A	113	ALA	0	-0.001	0.003	24.074	0.000	0.000	0.000	0.000	0.000	0.000
93	A	114	VAL	0	0.006	0.006	26.197	0.007	0.007	0.000	0.000	0.000	0.000
94	A	115	ALA	0	0.020	0.008	27.437	0.004	0.004	0.000	0.000	0.000	0.000
95	A	116	TYR	0	-0.030	-0.024	26.527	0.001	0.001	0.000	0.000	0.000	0.000
96	A	117	ILE	0	0.039	0.024	22.667	0.001	0.001	0.000	0.000	0.000	0.000
97	A	118	THR	0	-0.027	0.011	26.517	0.008	0.008	0.000	0.000	0.000	0.000
98	A	119	ILE	0	-0.019	-0.006	29.404	0.001	0.001	0.000	0.000	0.000	0.000
99	A	120	LYS	1	0.909	0.946	25.336	-0.037	-0.037	0.000	0.000	0.000	0.000
100	A	121	THR	0	-0.057	-0.043	26.122	0.004	0.004	0.000	0.000	0.000	0.000
101	A	122	THR	0	0.001	-0.008	28.093	0.005	0.005	0.000	0.000	0.000	0.000
102	A	123	LEU	0	0.002	-0.009	31.583	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	124	ALA	0	0.020	0.017	28.614	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	125	CYS	0	-0.060	-0.022	28.994	0.004	0.004	0.000	0.000	0.000	0.000
105	A	126	LEU	0	0.004	0.000	31.158	0.000	0.000	0.000	0.000	0.000	0.000
106	A	127	THR	0	-0.095	-0.032	31.860	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	128	SER	0	-0.047	-0.012	32.567	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	129	ALA	0	-0.008	-0.017	34.489	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	130	ASP	-1	-0.881	-0.930	36.424	0.057	0.057	0.000	0.000	0.000	0.000
110	A	131	ASN	0	-0.047	-0.048	32.836	0.001	0.001	0.000	0.000	0.000	0.000
111	A	132	THR	0	0.064	0.049	33.375	0.003	0.003	0.000	0.000	0.000	0.000
112	A	133	THR	0	0.013	0.004	33.924	-0.001	-0.001	0.000	0.000	0.000	0.000
113	A	134	VAL	0	0.047	0.003	33.648	0.004	0.004	0.000	0.000	0.000	0.000
114	A	135	GLN	0	-0.041	-0.049	30.978	0.001	0.001	0.000	0.000	0.000	0.000
115	A	136	ALA	0	-0.006	0.012	29.295	0.009	0.009	0.000	0.000	0.000	0.000
116	A	137	VAL	0	0.059	0.011	28.572	0.006	0.006	0.000	0.000	0.000	0.000
117	A	138	ALA	0	-0.004	0.012	28.737	0.003	0.003	0.000	0.000	0.000	0.000
118	A	139	SER	0	-0.001	-0.011	25.081	0.012	0.012	0.000	0.000	0.000	0.000
119	A	140	ALA	0	-0.056	-0.027	24.382	0.014	0.014	0.000	0.000	0.000	0.000
120	A	141	ILE	0	0.002	0.008	24.073	0.004	0.004	0.000	0.000	0.000	0.000
121	A	142	GLY	0	0.029	0.016	24.181	0.001	0.001	0.000	0.000	0.000	0.000
122	A	143	ARG	1	0.912	0.955	17.158	-0.207	-0.207	0.000	0.000	0.000	0.000
123	A	144	ALA	0	0.038	0.029	19.345	0.014	0.014	0.000	0.000	0.000	0.000
124	A	145	ILE	0	-0.008	-0.012	20.468	-0.004	-0.004	0.000	0.000	0.000	0.000
125	A	146	GLU	-1	-0.710	-0.834	16.438	0.317	0.317	0.000	0.000	0.000	0.000
126	A	147	ASP	-1	-0.948	-0.985	15.931	0.240	0.240	0.000	0.000	0.000	0.000
127	A	148	GLU	-1	-0.783	-0.896	16.349	0.032	0.032	0.000	0.000	0.000	0.000
128	A	149	ALA	0	0.004	0.015	18.435	-0.015	-0.015	0.000	0.000	0.000	0.000
129	A	150	ARG	1	0.917	0.971	9.483	-0.615	-0.615	0.000	0.000	0.000	0.000
130	A	151	PHE	0	0.005	-0.010	9.521	0.021	0.021	0.000	0.000	0.000	0.000
131	A	152	GLY	0	0.103	0.068	14.227	-0.051	-0.051	0.000	0.000	0.000	0.000
132	A	153	ARG	1	0.867	0.929	13.120	0.044	0.044	0.000	0.000	0.000	0.000
133	A	154	ILE	0	0.019	-0.010	10.693	-0.024	-0.024	0.000	0.000	0.000	0.000
134	A	155	ARG	1	0.876	0.946	14.949	-0.033	-0.033	0.000	0.000	0.000	0.000
135	A	156	ASP	-1	-0.935	-0.954	17.639	-0.094	-0.094	0.000	0.000	0.000	0.000
136	A	157	LEU	0	0.001	-0.016	15.924	-0.010	-0.010	0.000	0.000	0.000	0.000
137	A	158	GLU	-1	-0.707	-0.841	14.924	-0.216	-0.216	0.000	0.000	0.000	0.000
138	A	159	ALA	0	-0.002	-0.015	18.027	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	160	LYS	1	0.810	0.904	21.551	0.099	0.099	0.000	0.000	0.000	0.000
140	A	161	HIS	0	-0.011	0.002	18.876	0.013	0.013	0.000	0.000	0.000	0.000
141	A	162	PHE	0	0.063	0.066	19.870	0.006	0.006	0.000	0.000	0.000	0.000
142	A	163	LYS	1	0.909	0.958	22.439	0.110	0.110	0.000	0.000	0.000	0.000
143	A	164	LYS	1	0.814	0.900	23.694	0.184	0.184	0.000	0.000	0.000	0.000
144	A	165	ASN	0	-0.006	0.004	24.991	-0.011	-0.011	0.000	0.000	0.000	0.000
145	A	166	VAL	0	0.009	0.025	22.748	-0.003	-0.003	0.000	0.000	0.000	0.000
146	A	167	GLU	-1	-0.866	-0.957	22.568	-0.233	-0.233	0.000	0.000	0.000	0.000
147	A	168	GLU	-1	-0.973	-0.989	25.749	-0.177	-0.177	0.000	0.000	0.000	0.000
148	A	169	GLN	0	-0.037	-0.019	28.119	-0.007	-0.007	0.000	0.000	0.000	0.000
149	A	170	LEU	0	0.071	0.029	29.169	-0.006	-0.006	0.000	0.000	0.000	0.000
150	A	171	ASN	0	0.030	-0.011	31.208	0.004	0.004	0.000	0.000	0.000	0.000
151	A	172	LYS	1	0.984	0.996	25.387	0.209	0.209	0.000	0.000	0.000	0.000
152	A	173	ARG	1	0.898	0.938	26.845	0.147	0.147	0.000	0.000	0.000	0.000
153	A	174	VAL	0	-0.092	-0.018	28.290	0.007	0.007	0.000	0.000	0.000	0.000
154	A	175	GLY	0	0.013	0.001	27.479	0.008	0.008	0.000	0.000	0.000	0.000
155	A	176	HIS	0	-0.045	-0.011	28.350	0.007	0.007	0.000	0.000	0.000	0.000
156	A	177	VAL	0	0.017	0.013	30.193	0.001	0.001	0.000	0.000	0.000	0.000
157	A	178	TYR	0	0.012	-0.013	33.040	0.002	0.002	0.000	0.000	0.000	0.000
158	A	179	LYS	1	0.953	0.988	29.235	0.127	0.127	0.000	0.000	0.000	0.000
159	A	180	LYS	1	0.929	0.956	33.395	0.050	0.050	0.000	0.000	0.000	0.000
160	A	181	ALA	0	0.030	0.023	32.189	0.003	0.003	0.000	0.000	0.000	0.000
161	A	182	PHE	0	-0.040	-0.019	28.916	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	183	MET	0	-0.044	0.020	25.014	-0.004	-0.004	0.000	0.000	0.000	0.000
163	A	184	GLN	0	0.083	0.045	23.686	0.012	0.012	0.000	0.000	0.000	0.000
164	A	185	VAL	0	0.019	0.020	18.475	-0.014	-0.014	0.000	0.000	0.000	0.000
165	A	186	VAL	0	-0.046	-0.014	15.996	-0.008	-0.008	0.000	0.000	0.000	0.000
166	A	187	GLU	-1	-0.846	-0.933	17.738	-0.161	-0.161	0.000	0.000	0.000	0.000
167	A	188	ALA	0	0.031	0.003	13.620	-0.042	-0.042	0.000	0.000	0.000	0.000
168	A	189	ASP	-1	-0.893	-0.957	12.658	-0.400	-0.400	0.000	0.000	0.000	0.000
169	A	190	MET	0	-0.072	-0.022	13.437	-0.071	-0.071	0.000	0.000	0.000	0.000
170	A	191	LEU	0	-0.077	-0.029	10.453	-0.014	-0.014	0.000	0.000	0.000	0.000
171	A	192	SER	0	0.032	0.020	8.595	-0.254	-0.254	0.000	0.000	0.000	0.000
172	A	193	LYS	1	1.069	1.010	3.780	2.235	2.550	0.003	-0.058	-0.260	0.000
173	A	194	GLY	0	0.005	0.016	4.539	-0.424	-0.331	-0.001	-0.012	-0.080	0.000
174	A	195	LEU	0	-0.022	-0.018	6.486	0.448	0.448	0.000	0.000	0.000	0.000
175	A	196	LEU	0	-0.006	0.008	3.111	-0.252	0.283	0.073	-0.101	-0.506	0.000
176	A	197	GLY	0	-0.008	-0.014	3.685	-0.094	0.243	0.009	-0.116	-0.230	-0.001
177	A	198	GLY	0	0.034	0.006	3.802	0.289	0.524	0.002	-0.049	-0.188	0.000
178	A	199	GLU	-1	-0.926	-0.951	4.723	0.771	0.798	-0.001	-0.002	-0.023	0.000
179	A	200	ALA	0	0.059	0.027	7.757	-0.167	-0.167	0.000	0.000	0.000	0.000
180	A	201	TRP	0	-0.079	-0.026	10.935	-0.103	-0.103	0.000	0.000	0.000	0.000
181	A	202	SER	0	-0.136	-0.098	12.800	0.045	0.045	0.000	0.000	0.000	0.000
182	A	203	SER	0	-0.086	-0.053	14.228	0.039	0.039	0.000	0.000	0.000	0.000
183	A	204	TRP	0	0.022	0.021	16.181	-0.021	-0.021	0.000	0.000	0.000	0.000
184	A	205	HIS	0	0.012	0.010	19.783	0.009	0.009	0.000	0.000	0.000	0.000
185	A	206	LYS	1	0.932	0.960	22.721	-0.201	-0.201	0.000	0.000	0.000	0.000
186	A	207	GLU	-1	-0.844	-0.935	24.873	0.159	0.159	0.000	0.000	0.000	0.000
187	A	208	ASP	-1	-0.838	-0.934	24.174	0.156	0.156	0.000	0.000	0.000	0.000
188	A	209	SER	0	-0.043	-0.004	22.973	-0.015	-0.015	0.000	0.000	0.000	0.000
189	A	210	ILE	0	0.008	-0.001	24.804	-0.012	-0.012	0.000	0.000	0.000	0.000
190	A	211	HIS	0	0.000	-0.002	28.347	-0.016	-0.016	0.000	0.000	0.000	0.000
191	A	212	VAL	0	0.008	-0.006	25.205	-0.011	-0.011	0.000	0.000	0.000	0.000
192	A	213	GLY	0	0.014	0.007	27.744	-0.009	-0.009	0.000	0.000	0.000	0.000
193	A	214	VAL	0	-0.013	-0.016	28.874	-0.009	-0.009	0.000	0.000	0.000	0.000
194	A	215	ARG	1	0.836	0.924	31.570	-0.079	-0.079	0.000	0.000	0.000	0.000
195	A	216	CYS	0	-0.011	0.011	29.160	-0.006	-0.006	0.000	0.000	0.000	0.000
196	A	217	ILE	0	0.006	-0.001	31.762	-0.006	-0.006	0.000	0.000	0.000	0.000
197	A	218	GLU	-1	-0.870	-0.955	33.989	0.055	0.055	0.000	0.000	0.000	0.000
198	A	219	MET	0	0.045	0.024	32.152	-0.006	-0.006	0.000	0.000	0.000	0.000
199	A	220	LEU	0	-0.021	-0.004	34.009	-0.005	-0.005	0.000	0.000	0.000	0.000
200	A	221	ILE	0	-0.063	-0.029	36.565	-0.003	-0.003	0.000	0.000	0.000	0.000
201	A	222	GLU	-1	-0.848	-0.914	39.431	0.039	0.039	0.000	0.000	0.000	0.000
202	A	223	SER	0	-0.048	-0.028	37.970	-0.003	-0.003	0.000	0.000	0.000	0.000
203	A	224	THR	0	-0.113	-0.050	38.615	-0.004	-0.004	0.000	0.000	0.000	0.000
204	A	225	GLY	0	0.115	0.057	41.167	0.002	0.002	0.000	0.000	0.000	0.000
205	A	226	MET	0	-0.087	-0.038	34.731	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	227	VAL	0	-0.004	-0.009	36.750	0.001	0.001	0.000	0.000	0.000	0.000
207	A	228	SER	0	0.000	0.006	39.878	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	229	LEU	0	-0.016	-0.019	38.225	0.003	0.003	0.000	0.000	0.000	0.000
209	A	230	HIS	0	0.028	0.014	41.466	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	231	ARG	1	0.839	0.903	42.572	-0.051	-0.051	0.000	0.000	0.000	0.000
211	A	232	GLN	0	-0.048	-0.026	42.813	-0.004	-0.004	0.000	0.000	0.000	0.000
212	A	233	ASN	0	-0.022	-0.021	44.968	0.000	0.000	0.000	0.000	0.000	0.000
213	A	234	ALA	0	0.012	0.000	47.088	0.002	0.002	0.000	0.000	0.000	0.000
214	A	235	GLY	0	0.020	0.013	47.652	-0.002	-0.002	0.000	0.000	0.000	0.000
215	A	236	VAL	0	-0.023	0.001	46.831	0.000	0.000	0.000	0.000	0.000	0.000
216	A	237	VAL	0	0.012	-0.004	44.403	0.002	0.002	0.000	0.000	0.000	0.000
217	A	238	GLY	0	-0.007	-0.002	43.254	0.003	0.003	0.000	0.000	0.000	0.000
218	A	239	GLN	0	-0.025	-0.035	42.558	0.001	0.001	0.000	0.000	0.000	0.000
219	A	240	ASP	-1	-0.791	-0.839	43.361	0.056	0.056	0.000	0.000	0.000	0.000
220	A	241	SER	0	-0.024	-0.014	39.541	0.004	0.004	0.000	0.000	0.000	0.000
221	A	242	GLU	-1	-0.867	-0.936	38.412	0.055	0.055	0.000	0.000	0.000	0.000
222	A	243	THR	0	-0.087	-0.049	37.987	0.006	0.006	0.000	0.000	0.000	0.000
223	A	244	ILE	0	0.026	0.021	34.906	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	245	GLU	-1	-0.833	-0.922	38.137	0.048	0.048	0.000	0.000	0.000	0.000
225	A	246	LEU	0	-0.043	-0.020	38.609	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	247	ALA	0	0.043	0.031	40.730	-0.001	-0.001	0.000	0.000	0.000	0.000
227	A	248	PRO	0	0.005	-0.018	43.900	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	249	GLU	-1	-0.808	-0.904	45.850	0.024	0.024	0.000	0.000	0.000	0.000
229	A	250	TYR	0	0.010	-0.009	41.118	-0.002	-0.002	0.000	0.000	0.000	0.000
230	A	251	ALA	0	-0.026	-0.009	42.902	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	252	GLU	-1	-0.898	-0.947	43.884	0.018	0.018	0.000	0.000	0.000	0.000
232	A	253	ALA	0	-0.055	-0.024	44.015	-0.002	-0.002	0.000	0.000	0.000	0.000
233	A	254	ILE	0	-0.023	-0.032	38.830	-0.002	-0.002	0.000	0.000	0.000	0.000
234	A	255	ALA	0	0.007	0.019	42.408	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	256	THR	0	0.005	-0.002	44.922	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	257	ARG	1	0.896	0.955	44.449	-0.011	-0.011	0.000	0.000	0.000	0.000
237	A	258	ALA	0	0.021	0.013	43.906	0.001	0.001	0.000	0.000	0.000	0.000
238	A	259	GLY	0	0.064	0.033	39.821	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	260	ALA	0	-0.016	-0.004	39.791	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	261	LEU	0	0.054	0.000	35.063	0.000	0.000	0.000	0.000	0.000	0.000
241	A	262	ALA	0	-0.030	0.003	34.902	0.000	0.000	0.000	0.000	0.000	0.000
242	A	263	GLY	0	0.007	0.007	33.186	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	264	ILE	0	-0.064	-0.031	31.236	0.001	0.001	0.000	0.000	0.000	0.000
244	A	265	SER	0	0.043	0.040	28.056	0.000	0.000	0.000	0.000	0.000	0.000
245	A	266	PRO	0	0.011	0.001	26.819	0.006	0.006	0.000	0.000	0.000	0.000
246	A	267	MET	0	-0.040	-0.006	21.805	-0.009	-0.009	0.000	0.000	0.000	0.000
247	A	268	PHE	0	0.010	0.033	17.669	0.000	0.000	0.000	0.000	0.000	0.000
248	A	269	GLN	0	0.097	0.069	22.514	-0.004	-0.004	0.000	0.000	0.000	0.000
249	A	270	PRO	0	0.021	0.030	22.729	0.003	0.003	0.000	0.000	0.000	0.000
250	A	271	CYS	0	-0.041	0.002	19.547	0.001	0.001	0.000	0.000	0.000	0.000
251	A	272	VAL	0	0.012	0.001	22.946	0.005	0.005	0.000	0.000	0.000	0.000
252	A	273	VAL	0	-0.030	-0.028	20.296	-0.006	-0.006	0.000	0.000	0.000	0.000
253	A	274	PRO	0	-0.023	0.001	21.021	0.010	0.010	0.000	0.000	0.000	0.000
254	A	275	PRO	0	0.014	0.001	18.358	-0.018	-0.018	0.000	0.000	0.000	0.000
255	A	276	LYS	1	0.860	0.957	9.479	0.185	0.185	0.000	0.000	0.000	0.000
256	A	277	PRO	0	0.007	0.000	14.064	0.050	0.050	0.000	0.000	0.000	0.000
257	A	278	TRP	0	-0.058	-0.012	11.293	0.010	0.010	0.000	0.000	0.000	0.000
258	A	279	THR	0	0.010	-0.001	8.980	-0.045	-0.045	0.000	0.000	0.000	0.000
259	A	280	GLY	0	0.044	0.010	8.326	0.006	0.006	0.000	0.000	0.000	0.000
260	A	281	ILE	0	0.044	0.036	7.271	-0.035	-0.035	0.000	0.000	0.000	0.000
261	A	282	THR	0	-0.071	-0.046	6.346	0.035	0.035	0.000	0.000	0.000	0.000
262	A	283	GLY	0	0.012	0.001	8.194	-0.024	-0.024	0.000	0.000	0.000	0.000
263	A	284	GLY	0	0.041	0.034	9.096	-0.112	-0.112	0.000	0.000	0.000	0.000
264	A	285	GLY	0	0.009	-0.016	12.213	0.024	0.024	0.000	0.000	0.000	0.000
265	A	286	TYR	0	-0.134	-0.094	14.641	-0.025	-0.025	0.000	0.000	0.000	0.000
266	A	287	TRP	0	-0.004	-0.039	13.432	-0.023	-0.023	0.000	0.000	0.000	0.000
267	A	288	ALA	0	-0.065	-0.019	13.096	-0.053	-0.053	0.000	0.000	0.000	0.000
268	A	289	ASN	0	-0.034	-0.033	9.168	0.158	0.158	0.000	0.000	0.000	0.000
269	A	290	GLY	0	-0.070	-0.018	11.837	0.048	0.048	0.000	0.000	0.000	0.000
270	A	291	ARG	1	0.863	0.925	12.843	-0.033	-0.033	0.000	0.000	0.000	0.000
271	A	292	ARG	1	0.873	0.972	11.127	-0.400	-0.400	0.000	0.000	0.000	0.000
272	A	293	PRO	0	-0.071	-0.023	8.061	-0.062	-0.062	0.000	0.000	0.000	0.000
273	A	294	LEU	0	0.012	0.000	10.997	0.036	0.036	0.000	0.000	0.000	0.000
274	A	295	ALA	0	0.027	-0.006	11.073	0.074	0.074	0.000	0.000	0.000	0.000
275	A	296	LEU	0	0.010	0.016	12.169	-0.054	-0.054	0.000	0.000	0.000	0.000
276	A	297	VAL	0	0.007	0.008	14.002	-0.041	-0.041	0.000	0.000	0.000	0.000
277	A	298	ARG	1	0.869	0.940	15.694	-0.107	-0.107	0.000	0.000	0.000	0.000
278	A	299	THR	0	0.007	-0.006	16.485	-0.020	-0.020	0.000	0.000	0.000	0.000
279	A	300	HIS	0	-0.008	0.000	18.716	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	301	SER	0	-0.004	-0.022	18.113	0.011	0.011	0.000	0.000	0.000	0.000
281	A	302	LYS	1	0.976	0.987	9.064	-1.015	-1.015	0.000	0.000	0.000	0.000
282	A	303	LYS	1	0.923	0.953	13.757	-0.277	-0.277	0.000	0.000	0.000	0.000
283	A	304	ALA	0	0.007	-0.003	15.635	0.010	0.010	0.000	0.000	0.000	0.000
284	A	305	LEU	0	-0.022	0.004	10.887	-0.012	-0.012	0.000	0.000	0.000	0.000
285	A	306	MET	0	0.002	-0.019	8.267	-0.009	-0.009	0.000	0.000	0.000	0.000
286	A	307	ARG	1	0.858	0.956	12.416	-0.278	-0.278	0.000	0.000	0.000	0.000
287	A	308	TYR	0	-0.033	-0.071	13.506	-0.025	-0.025	0.000	0.000	0.000	0.000
288	A	309	GLU	-1	-1.014	-1.012	7.258	1.289	1.289	0.000	0.000	0.000	0.000
289	A	310	ASP	-1	-0.926	-0.944	9.956	0.513	0.513	0.000	0.000	0.000	0.000
290	A	311	VAL	0	-0.042	-0.004	12.084	-0.049	-0.049	0.000	0.000	0.000	0.000
291	A	312	TYR	0	-0.011	-0.001	14.307	-0.036	-0.036	0.000	0.000	0.000	0.000
292	A	313	MET	0	0.047	0.014	14.923	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	314	PRO	0	-0.003	-0.010	18.044	0.001	0.001	0.000	0.000	0.000	0.000
294	A	315	GLU	-1	-0.785	-0.912	18.967	0.000	0.000	0.000	0.000	0.000	0.000
295	A	316	VAL	0	0.017	0.018	18.476	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	317	TYR	0	-0.031	-0.024	12.224	0.007	0.007	0.000	0.000	0.000	0.000
297	A	318	LYS	1	0.867	0.960	17.531	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	319	ALA	0	0.043	0.027	20.447	-0.009	-0.009	0.000	0.000	0.000	0.000
299	A	320	ILE	0	-0.025	-0.014	17.771	-0.006	-0.006	0.000	0.000	0.000	0.000
300	A	321	ASN	0	0.020	-0.011	15.800	0.004	0.004	0.000	0.000	0.000	0.000
301	A	322	ILE	0	0.015	0.025	19.798	-0.014	-0.014	0.000	0.000	0.000	0.000
302	A	323	ALA	0	-0.015	-0.003	23.361	-0.005	-0.005	0.000	0.000	0.000	0.000
303	A	324	GLN	0	0.004	0.013	16.678	0.022	0.022	0.000	0.000	0.000	0.000
304	A	325	ASN	0	-0.042	-0.018	22.011	-0.015	-0.015	0.000	0.000	0.000	0.000
305	A	326	THR	0	0.008	0.035	23.407	-0.007	-0.007	0.000	0.000	0.000	0.000
306	A	327	ALA	0	-0.067	-0.022	26.636	0.001	0.001	0.000	0.000	0.000	0.000
307	A	328	TRP	0	0.042	0.010	28.067	0.004	0.004	0.000	0.000	0.000	0.000
308	A	329	LYS	1	0.925	0.957	30.797	0.021	0.021	0.000	0.000	0.000	0.000
309	A	330	ILE	0	0.050	0.038	32.846	0.004	0.004	0.000	0.000	0.000	0.000
310	A	331	ASN	0	-0.028	-0.013	35.525	-0.005	-0.005	0.000	0.000	0.000	0.000
311	A	332	LYS	1	0.915	0.940	38.831	0.029	0.029	0.000	0.000	0.000	0.000
312	A	333	LYS	1	0.945	0.998	41.071	0.015	0.015	0.000	0.000	0.000	0.000
313	A	334	VAL	0	0.071	0.043	41.254	0.001	0.001	0.000	0.000	0.000	0.000
314	A	335	LEU	0	-0.011	-0.010	38.127	0.001	0.001	0.000	0.000	0.000	0.000
315	A	336	ALA	0	-0.058	-0.029	41.479	0.001	0.001	0.000	0.000	0.000	0.000
316	A	337	VAL	0	0.043	0.028	44.841	0.001	0.001	0.000	0.000	0.000	0.000
317	A	338	ALA	0	0.006	0.007	41.995	0.002	0.002	0.000	0.000	0.000	0.000
318	A	339	ASN	0	-0.038	-0.032	41.367	0.003	0.003	0.000	0.000	0.000	0.000
319	A	340	VAL	0	-0.034	-0.003	44.099	0.000	0.000	0.000	0.000	0.000	0.000
320	A	341	ILE	0	0.067	0.026	46.816	0.001	0.001	0.000	0.000	0.000	0.000
321	A	342	THR	0	-0.042	-0.005	42.958	0.001	0.001	0.000	0.000	0.000	0.000
322	A	343	LYS	1	0.822	0.931	43.687	-0.008	-0.008	0.000	0.000	0.000	0.000
323	A	344	TRP	0	0.003	0.002	48.007	0.000	0.000	0.000	0.000	0.000	0.000
324	A	345	LYS	1	0.894	0.947	50.753	-0.008	-0.008	0.000	0.000	0.000	0.000
325	A	346	HIS	0	0.035	0.020	53.164	0.001	0.001	0.000	0.000	0.000	0.000
326	A	347	CYS	0	-0.086	-0.019	48.333	-0.002	-0.002	0.000	0.000	0.000	0.000
327	A	348	PRO	0	0.041	0.020	50.774	0.001	0.001	0.000	0.000	0.000	0.000
328	A	349	VAL	0	0.027	0.015	45.620	0.000	0.000	0.000	0.000	0.000	0.000
329	A	350	GLU	-1	-0.871	-0.942	48.466	0.018	0.018	0.000	0.000	0.000	0.000
330	A	351	ASP	-1	-0.916	-0.942	44.447	0.023	0.023	0.000	0.000	0.000	0.000
331	A	352	ILE	0	-0.079	-0.039	43.637	0.002	0.002	0.000	0.000	0.000	0.000
332	A	353	PRO	0	-0.074	-0.027	42.498	0.000	0.000	0.000	0.000	0.000	0.000
333	A	354	ALA	0	0.094	0.039	45.690	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	355	ILE	0	-0.005	-0.011	47.855	0.001	0.001	0.000	0.000	0.000	0.000
335	A	356	GLU	-1	-0.888	-0.945	49.321	0.014	0.014	0.000	0.000	0.000	0.000
336	A	357	ARG	1	0.913	0.961	49.613	-0.021	-0.021	0.000	0.000	0.000	0.000
337	A	358	GLU	-1	-0.896	-0.956	50.238	0.024	0.024	0.000	0.000	0.000	0.000
338	A	359	GLU	-1	-0.920	-0.962	53.722	0.021	0.021	0.000	0.000	0.000	0.000
339	A	360	LEU	0	-0.047	-0.024	53.314	0.001	0.001	0.000	0.000	0.000	0.000
340	A	361	PRO	0	-0.017	-0.005	56.537	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	362	MET	0	0.026	0.015	59.525	0.001	0.001	0.000	0.000	0.000	0.000
342	A	363	LYS	1	0.892	0.954	58.960	-0.024	-0.024	0.000	0.000	0.000	0.000
343	A	364	PRO	0	0.034	0.016	63.661	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	365	GLU	-1	-0.904	-0.931	66.896	0.018	0.018	0.000	0.000	0.000	0.000
345	A	366	ASP	-1	-0.913	-0.966	68.828	0.018	0.018	0.000	0.000	0.000	0.000
346	A	367	ILE	0	-0.075	-0.074	63.647	0.001	0.001	0.000	0.000	0.000	0.000
347	A	368	ASP	-1	-0.898	-0.951	66.343	0.021	0.021	0.000	0.000	0.000	0.000
348	A	369	MET	0	-0.018	0.005	68.128	0.001	0.001	0.000	0.000	0.000	0.000
349	A	370	ASN	0	-0.007	-0.025	65.230	0.001	0.001	0.000	0.000	0.000	0.000
350	A	371	PRO	0	0.008	0.034	66.418	0.001	0.001	0.000	0.000	0.000	0.000
351	A	372	GLU	-1	-0.876	-0.946	62.486	0.029	0.029	0.000	0.000	0.000	0.000
352	A	373	ALA	0	0.007	-0.011	62.822	0.000	0.000	0.000	0.000	0.000	0.000
353	A	374	LEU	0	0.046	0.035	61.874	0.001	0.001	0.000	0.000	0.000	0.000
354	A	375	THR	0	-0.065	-0.025	58.718	0.001	0.001	0.000	0.000	0.000	0.000
355	A	376	ALA	0	0.028	0.002	58.172	0.001	0.001	0.000	0.000	0.000	0.000
356	A	377	TRP	0	0.033	0.022	57.383	0.001	0.001	0.000	0.000	0.000	0.000
357	A	378	LYS	1	0.869	0.925	54.857	-0.031	-0.031	0.000	0.000	0.000	0.000
358	A	379	ARG	1	0.883	0.949	53.887	-0.032	-0.032	0.000	0.000	0.000	0.000
359	A	380	ALA	0	0.031	0.018	53.838	0.001	0.001	0.000	0.000	0.000	0.000
360	A	381	ALA	0	0.026	0.008	54.457	0.000	0.000	0.000	0.000	0.000	0.000
361	A	382	ALA	0	-0.003	-0.001	50.396	0.001	0.001	0.000	0.000	0.000	0.000
362	A	383	ALA	0	-0.045	-0.031	49.587	0.002	0.002	0.000	0.000	0.000	0.000
363	A	384	VAL	0	0.061	0.028	49.584	0.001	0.001	0.000	0.000	0.000	0.000
364	A	385	TYR	0	-0.006	0.003	47.977	0.000	0.000	0.000	0.000	0.000	0.000
365	A	386	ARG	1	0.941	0.983	44.858	-0.041	-0.041	0.000	0.000	0.000	0.000
366	A	387	LYS	1	0.964	0.969	45.070	-0.029	-0.029	0.000	0.000	0.000	0.000
367	A	388	ASP	-1	-0.841	-0.904	46.067	0.029	0.029	0.000	0.000	0.000	0.000
368	A	389	LYS	1	0.913	0.960	38.771	-0.054	-0.054	0.000	0.000	0.000	0.000
369	A	390	ALA	0	-0.004	-0.008	41.358	0.001	0.001	0.000	0.000	0.000	0.000
370	A	391	ARG	1	0.852	0.935	41.816	-0.024	-0.024	0.000	0.000	0.000	0.000
371	A	392	LYS	1	0.866	0.929	41.918	-0.036	-0.036	0.000	0.000	0.000	0.000
372	A	393	SER	0	0.033	0.022	37.502	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	394	ARG	1	0.892	0.916	37.946	-0.030	-0.030	0.000	0.000	0.000	0.000
374	A	395	ARG	1	0.824	0.906	39.453	-0.019	-0.019	0.000	0.000	0.000	0.000
375	A	396	ILE	0	-0.019	-0.009	35.285	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	397	SER	0	-0.001	-0.008	34.279	-0.002	-0.002	0.000	0.000	0.000	0.000
377	A	398	LEU	0	0.012	0.009	35.479	-0.002	-0.002	0.000	0.000	0.000	0.000
378	A	399	GLU	-1	-0.835	-0.943	37.776	0.009	0.009	0.000	0.000	0.000	0.000
379	A	400	PHE	0	-0.026	-0.004	31.631	-0.002	-0.002	0.000	0.000	0.000	0.000
380	A	401	MET	0	-0.075	-0.028	30.985	-0.003	-0.003	0.000	0.000	0.000	0.000
381	A	402	LEU	0	0.047	0.026	34.416	-0.004	-0.004	0.000	0.000	0.000	0.000
382	A	403	GLU	-1	-0.899	-0.937	32.101	0.002	0.002	0.000	0.000	0.000	0.000
383	A	404	GLN	0	0.045	-0.009	27.960	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	405	ALA	0	0.000	0.001	32.491	-0.005	-0.005	0.000	0.000	0.000	0.000
385	A	406	ASN	0	-0.002	-0.031	34.818	-0.007	-0.007	0.000	0.000	0.000	0.000
386	A	407	LYS	1	0.688	0.841	28.284	0.007	0.007	0.000	0.000	0.000	0.000
387	A	408	PHE	0	0.004	-0.007	27.193	-0.005	-0.005	0.000	0.000	0.000	0.000
388	A	409	ALA	0	0.019	0.023	32.570	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	410	ASN	0	-0.048	-0.047	35.468	0.001	0.001	0.000	0.000	0.000	0.000
390	A	411	HIS	0	-0.035	-0.005	29.037	0.000	0.000	0.000	0.000	0.000	0.000
391	A	412	LYS	1	0.841	0.934	31.825	0.048	0.048	0.000	0.000	0.000	0.000
392	A	413	ALA	0	-0.009	-0.047	29.378	0.003	0.003	0.000	0.000	0.000	0.000
393	A	414	ILE	0	0.023	0.040	27.068	-0.005	-0.005	0.000	0.000	0.000	0.000
394	A	415	TRP	0	0.016	0.011	23.206	-0.002	-0.002	0.000	0.000	0.000	0.000
395	A	416	PHE	0	0.000	-0.005	23.375	0.002	0.002	0.000	0.000	0.000	0.000
396	A	417	PRO	0	0.041	0.019	18.054	0.000	0.000	0.000	0.000	0.000	0.000
397	A	418	TYR	0	0.003	-0.015	18.900	0.005	0.005	0.000	0.000	0.000	0.000
398	A	419	ASN	0	-0.065	-0.043	15.690	0.022	0.022	0.000	0.000	0.000	0.000
399	A	420	MET	0	0.044	0.041	17.862	-0.023	-0.023	0.000	0.000	0.000	0.000
400	A	421	ASP	-1	-0.830	-0.904	19.353	0.152	0.152	0.000	0.000	0.000	0.000
401	A	422	TRP	0	0.019	-0.020	20.644	0.002	0.002	0.000	0.000	0.000	0.000
402	A	423	ARG	1	0.878	0.959	21.686	-0.111	-0.111	0.000	0.000	0.000	0.000
403	A	424	GLY	0	0.065	0.030	21.815	-0.009	-0.009	0.000	0.000	0.000	0.000
404	A	425	ARG	1	0.797	0.894	22.890	-0.083	-0.083	0.000	0.000	0.000	0.000
405	A	426	VAL	0	0.036	0.017	22.590	0.013	0.013	0.000	0.000	0.000	0.000
406	A	427	TYR	0	-0.095	-0.043	22.509	-0.010	-0.010	0.000	0.000	0.000	0.000
407	A	428	ALA	0	0.006	0.013	22.162	0.005	0.005	0.000	0.000	0.000	0.000
408	A	429	VAL	0	-0.049	-0.034	18.510	0.008	0.008	0.000	0.000	0.000	0.000
409	A	430	SER	0	-0.020	-0.012	21.875	0.004	0.004	0.000	0.000	0.000	0.000
410	A	431	MET	0	-0.031	-0.008	24.198	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	432	PHE	0	0.024	0.018	27.292	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	433	ASN	0	0.029	0.005	26.409	-0.006	-0.006	0.000	0.000	0.000	0.000
413	A	434	PRO	0	0.050	0.001	28.046	0.001	0.001	0.000	0.000	0.000	0.000
414	A	435	GLN	0	-0.033	-0.020	26.597	0.005	0.005	0.000	0.000	0.000	0.000
415	A	436	GLY	0	-0.003	0.019	30.841	0.004	0.004	0.000	0.000	0.000	0.000
416	A	437	ASN	0	0.051	0.019	32.946	-0.003	-0.003	0.000	0.000	0.000	0.000
417	A	438	ASP	-1	-0.670	-0.857	36.662	0.012	0.012	0.000	0.000	0.000	0.000
418	A	439	MET	0	0.021	0.018	38.401	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	440	THR	0	-0.064	-0.038	32.665	-0.003	-0.003	0.000	0.000	0.000	0.000
420	A	441	LYS	1	0.947	0.970	34.479	-0.027	-0.027	0.000	0.000	0.000	0.000
421	A	442	GLY	0	0.060	0.046	36.183	-0.003	-0.003	0.000	0.000	0.000	0.000
422	A	443	LEU	0	-0.071	-0.041	36.152	-0.004	-0.004	0.000	0.000	0.000	0.000
423	A	444	LEU	0	-0.045	0.002	31.305	-0.005	-0.005	0.000	0.000	0.000	0.000
424	A	445	THR	0	0.005	-0.002	34.908	0.001	0.001	0.000	0.000	0.000	0.000
425	A	446	LEU	0	0.055	0.038	31.957	-0.002	-0.002	0.000	0.000	0.000	0.000
426	A	447	ALA	0	-0.081	-0.035	31.786	-0.002	-0.002	0.000	0.000	0.000	0.000
427	A	448	LYS	1	0.846	0.928	28.811	0.047	0.047	0.000	0.000	0.000	0.000
428	A	449	GLY	0	0.061	0.028	34.557	0.003	0.003	0.000	0.000	0.000	0.000
429	A	450	LYS	1	0.864	0.926	36.751	0.026	0.026	0.000	0.000	0.000	0.000
430	A	451	PRO	0	-0.019	-0.012	40.595	0.002	0.002	0.000	0.000	0.000	0.000
431	A	452	ILE	0	-0.036	-0.007	44.240	0.000	0.000	0.000	0.000	0.000	0.000
432	A	453	GLY	0	0.031	0.011	45.369	0.001	0.001	0.000	0.000	0.000	0.000
433	A	454	LYS	1	0.969	0.976	48.252	0.008	0.008	0.000	0.000	0.000	0.000
434	A	455	GLU	-1	-0.897	-0.978	45.732	-0.005	-0.005	0.000	0.000	0.000	0.000
435	A	456	GLY	0	0.080	0.038	44.869	0.002	0.002	0.000	0.000	0.000	0.000
436	A	457	TYR	0	-0.038	-0.035	45.596	0.001	0.001	0.000	0.000	0.000	0.000
437	A	458	TYR	0	-0.015	-0.007	48.309	0.001	0.001	0.000	0.000	0.000	0.000
438	A	459	TRP	0	0.107	0.030	44.225	0.001	0.001	0.000	0.000	0.000	0.000
439	A	460	LEU	0	-0.031	-0.006	44.425	0.001	0.001	0.000	0.000	0.000	0.000
440	A	461	LYS	1	0.912	0.955	46.059	0.004	0.004	0.000	0.000	0.000	0.000
441	A	462	ILE	0	0.013	0.026	46.134	0.001	0.001	0.000	0.000	0.000	0.000
442	A	463	HIS	0	0.017	0.015	40.337	0.002	0.002	0.000	0.000	0.000	0.000
443	A	464	GLY	0	0.045	0.005	45.068	0.001	0.001	0.000	0.000	0.000	0.000
444	A	465	ALA	0	-0.019	-0.024	47.605	0.001	0.001	0.000	0.000	0.000	0.000
445	A	466	ASN	0	0.036	0.006	43.790	0.001	0.001	0.000	0.000	0.000	0.000
446	A	467	CYS	0	-0.066	-0.005	43.947	0.001	0.001	0.000	0.000	0.000	0.000
447	A	468	ALA	0	0.009	0.027	45.795	0.001	0.001	0.000	0.000	0.000	0.000
448	A	469	GLY	0	0.076	0.027	48.181	0.001	0.001	0.000	0.000	0.000	0.000
449	A	470	VAL	0	-0.074	-0.028	50.199	0.001	0.001	0.000	0.000	0.000	0.000
450	A	471	ASP	-1	-0.828	-0.929	46.861	0.017	0.017	0.000	0.000	0.000	0.000
451	A	472	LYS	1	0.823	0.913	48.269	-0.021	-0.021	0.000	0.000	0.000	0.000
452	A	473	VAL	0	0.033	0.031	50.840	0.000	0.000	0.000	0.000	0.000	0.000
453	A	474	PRO	0	0.035	0.038	51.794	0.000	0.000	0.000	0.000	0.000	0.000
454	A	475	PHE	0	0.056	0.000	46.743	-0.001	-0.001	0.000	0.000	0.000	0.000
455	A	476	PRO	0	0.013	0.012	52.146	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	477	GLU	-1	-0.838	-0.938	55.583	0.008	0.008	0.000	0.000	0.000	0.000
457	A	478	ARG	1	0.814	0.904	46.761	-0.013	-0.013	0.000	0.000	0.000	0.000
458	A	479	ILE	0	-0.053	-0.031	51.192	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	480	LYS	1	0.935	0.976	54.111	-0.003	-0.003	0.000	0.000	0.000	0.000
460	A	481	PHE	0	0.051	0.021	52.368	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	482	ILE	0	-0.026	-0.014	51.024	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	483	GLU	-1	-0.937	-0.976	54.615	-0.002	-0.002	0.000	0.000	0.000	0.000
463	A	484	GLU	-1	-0.957	-0.973	57.617	0.003	0.003	0.000	0.000	0.000	0.000
464	A	485	ASN	0	-0.015	0.010	56.333	0.000	0.000	0.000	0.000	0.000	0.000
465	A	486	HIS	0	0.031	0.049	56.857	0.000	0.000	0.000	0.000	0.000	0.000
466	A	487	GLU	-1	-0.859	-0.962	57.341	-0.003	-0.003	0.000	0.000	0.000	0.000
467	A	488	ASN	0	-0.045	-0.020	57.086	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	489	ILE	0	0.018	-0.005	51.935	0.000	0.000	0.000	0.000	0.000	0.000
469	A	490	MET	0	-0.082	-0.029	53.700	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	491	ALA	0	0.021	0.016	55.526	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	492	CYS	0	-0.051	-0.010	52.201	0.000	0.000	0.000	0.000	0.000	0.000
472	A	493	ALA	0	-0.042	-0.018	51.000	0.000	0.000	0.000	0.000	0.000	0.000
473	A	494	LYS	1	0.904	0.952	51.901	0.008	0.008	0.000	0.000	0.000	0.000
474	A	495	SER	0	0.006	-0.004	54.631	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	496	PRO	0	0.017	0.036	50.110	0.001	0.001	0.000	0.000	0.000	0.000
476	A	497	LEU	0	-0.017	-0.024	50.323	0.001	0.001	0.000	0.000	0.000	0.000
477	A	498	GLU	-1	-0.972	-0.973	53.636	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	499	ASN	0	-0.024	-0.019	56.197	0.001	0.001	0.000	0.000	0.000	0.000
479	A	500	THR	0	-0.011	-0.029	53.589	0.000	0.000	0.000	0.000	0.000	0.000
480	A	501	TRP	0	0.096	0.047	53.993	0.000	0.000	0.000	0.000	0.000	0.000
481	A	502	TRP	0	0.001	-0.023	46.773	0.001	0.001	0.000	0.000	0.000	0.000
482	A	503	ALA	0	-0.095	-0.044	49.383	0.001	0.001	0.000	0.000	0.000	0.000
483	A	504	GLU	-1	-0.866	-0.940	50.400	0.009	0.009	0.000	0.000	0.000	0.000
484	A	505	GLN	0	-0.106	-0.057	49.127	0.001	0.001	0.000	0.000	0.000	0.000
485	A	506	ASP	-1	-0.897	-0.946	45.841	0.020	0.020	0.000	0.000	0.000	0.000
486	A	507	SER	0	-0.060	-0.014	42.833	0.002	0.002	0.000	0.000	0.000	0.000
487	A	508	PRO	0	0.051	0.034	44.797	-0.002	-0.002	0.000	0.000	0.000	0.000
488	A	509	PHE	0	-0.015	-0.028	42.019	-0.003	-0.003	0.000	0.000	0.000	0.000
489	A	510	CYS	0	-0.067	-0.037	40.225	-0.002	-0.002	0.000	0.000	0.000	0.000
490	A	511	PHE	0	0.061	0.038	42.601	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	512	LEU	0	-0.010	-0.002	45.585	-0.002	-0.002	0.000	0.000	0.000	0.000
492	A	513	ALA	0	-0.032	-0.031	42.070	-0.002	-0.002	0.000	0.000	0.000	0.000
493	A	514	PHE	0	-0.008	0.009	44.069	-0.002	-0.002	0.000	0.000	0.000	0.000
494	A	515	CYS	0	-0.016	0.006	45.775	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	516	PHE	0	-0.048	-0.031	45.247	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	517	GLU	-1	-0.852	-0.946	43.337	-0.015	-0.015	0.000	0.000	0.000	0.000
497	A	518	TYR	0	-0.046	-0.045	46.415	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	519	ALA	0	0.048	0.015	49.663	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	520	GLY	0	-0.007	0.009	48.639	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	521	VAL	0	-0.017	-0.011	48.485	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	522	GLN	0	-0.011	-0.004	50.690	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	523	HIS	0	-0.079	-0.033	52.632	0.000	0.000	0.000	0.000	0.000	0.000
503	A	524	HIS	0	-0.051	-0.024	49.986	-0.002	-0.002	0.000	0.000	0.000	0.000
504	A	525	GLY	0	0.047	0.038	52.307	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	526	LEU	0	-0.010	-0.019	50.272	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	527	SER	0	-0.019	0.008	48.527	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	528	TYR	0	-0.024	-0.015	44.914	-0.003	-0.003	0.000	0.000	0.000	0.000
508	A	529	ASN	0	-0.018	0.007	39.831	0.000	0.000	0.000	0.000	0.000	0.000
509	A	530	CYS	0	-0.012	0.022	42.273	0.001	0.001	0.000	0.000	0.000	0.000
510	A	531	SER	0	-0.028	-0.059	36.788	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	532	LEU	0	0.048	0.029	37.375	0.000	0.000	0.000	0.000	0.000	0.000
512	A	533	PRO	0	-0.037	-0.026	35.310	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	534	LEU	0	-0.024	-0.012	37.406	0.002	0.002	0.000	0.000	0.000	0.000
514	A	535	ALA	0	-0.015	-0.012	37.573	0.000	0.000	0.000	0.000	0.000	0.000
515	A	536	PHE	0	-0.041	-0.001	37.980	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	537	ASP	-1	-0.807	-0.896	37.665	0.026	0.026	0.000	0.000	0.000	0.000
517	A	538	GLY	0	0.029	-0.007	38.159	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	539	SER	0	-0.045	-0.012	39.501	0.000	0.000	0.000	0.000	0.000	0.000
519	A	540	CYS	0	-0.043	0.011	41.455	0.002	0.002	0.000	0.000	0.000	0.000
520	A	541	SER	0	0.073	0.036	35.389	0.000	0.000	0.000	0.000	0.000	0.000
521	A	542	GLY	0	0.033	0.006	36.778	0.003	0.003	0.000	0.000	0.000	0.000
522	A	543	ILE	0	0.041	0.013	37.664	0.000	0.000	0.000	0.000	0.000	0.000
523	A	544	GLN	0	0.005	0.030	39.260	0.001	0.001	0.000	0.000	0.000	0.000
524	A	545	HIS	0	0.081	0.067	34.040	0.000	0.000	0.000	0.000	0.000	0.000
525	A	546	PHE	0	0.011	-0.011	37.167	0.001	0.001	0.000	0.000	0.000	0.000
526	A	547	SER	0	-0.007	-0.031	39.943	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	548	ALA	0	-0.017	0.000	39.213	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	549	MET	0	-0.051	-0.006	35.298	0.000	0.000	0.000	0.000	0.000	0.000
529	A	550	LEU	0	-0.007	-0.002	39.361	0.001	0.001	0.000	0.000	0.000	0.000
530	A	551	ARG	1	0.924	0.973	40.744	-0.032	-0.032	0.000	0.000	0.000	0.000
531	A	552	ASP	-1	-0.781	-0.880	44.775	0.031	0.031	0.000	0.000	0.000	0.000
532	A	553	GLU	-1	-0.822	-0.918	47.110	0.026	0.026	0.000	0.000	0.000	0.000
533	A	554	VAL	0	-0.016	0.002	49.463	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	555	GLY	0	0.020	0.005	47.233	0.000	0.000	0.000	0.000	0.000	0.000
535	A	556	GLY	0	-0.005	-0.047	45.508	0.000	0.000	0.000	0.000	0.000	0.000
536	A	557	ARG	1	0.918	0.966	46.494	-0.020	-0.020	0.000	0.000	0.000	0.000
537	A	558	ALA	0	-0.017	0.006	48.319	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	559	VAL	0	-0.072	-0.024	43.203	0.000	0.000	0.000	0.000	0.000	0.000
539	A	560	ASN	0	0.006	-0.039	44.716	-0.002	-0.002	0.000	0.000	0.000	0.000
540	A	561	LEU	0	0.004	0.022	42.086	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	562	LEU	0	0.000	0.009	45.532	-0.001	-0.001	0.000	0.000	0.000	0.000
542	A	563	PRO	0	0.007	0.015	48.990	0.000	0.000	0.000	0.000	0.000	0.000
543	A	564	SER	0	-0.056	-0.019	50.885	0.000	0.000	0.000	0.000	0.000	0.000
544	A	565	GLU	-1	-0.912	-0.953	53.448	0.009	0.009	0.000	0.000	0.000	0.000
545	A	566	THR	0	-0.042	-0.026	54.718	0.000	0.000	0.000	0.000	0.000	0.000
546	A	567	VAL	0	0.018	0.013	48.911	0.001	0.001	0.000	0.000	0.000	0.000
547	A	568	GLN	0	-0.079	-0.013	49.815	0.001	0.001	0.000	0.000	0.000	0.000
548	A	569	ASP	-1	-0.718	-0.877	49.178	0.027	0.027	0.000	0.000	0.000	0.000
549	A	570	ILE	0	0.030	0.013	45.783	0.000	0.000	0.000	0.000	0.000	0.000
550	A	571	TYR	0	0.055	0.003	43.005	0.000	0.000	0.000	0.000	0.000	0.000
551	A	572	GLY	0	0.047	0.021	49.640	0.000	0.000	0.000	0.000	0.000	0.000
552	A	573	ILE	0	-0.049	-0.026	51.972	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	574	VAL	0	0.054	0.026	49.479	0.000	0.000	0.000	0.000	0.000	0.000
554	A	575	ALA	0	0.000	-0.007	52.887	0.000	0.000	0.000	0.000	0.000	0.000
555	A	576	LYS	1	0.932	0.986	55.030	-0.022	-0.022	0.000	0.000	0.000	0.000
556	A	577	LYS	1	0.956	0.979	54.625	-0.026	-0.026	0.000	0.000	0.000	0.000
557	A	578	VAL	0	0.027	0.026	54.518	0.000	0.000	0.000	0.000	0.000	0.000
558	A	579	ASN	0	-0.045	-0.052	57.534	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	580	GLU	-1	-0.964	-0.968	60.593	0.022	0.022	0.000	0.000	0.000	0.000
560	A	581	ILE	0	0.023	0.017	58.081	0.000	0.000	0.000	0.000	0.000	0.000
561	A	582	LEU	0	-0.034	-0.002	59.597	0.000	0.000	0.000	0.000	0.000	0.000
562	A	583	GLN	0	-0.020	-0.023	63.137	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	584	ALA	0	-0.016	0.001	64.833	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	585	ASP	-1	-0.820	-0.906	63.326	0.026	0.026	0.000	0.000	0.000	0.000
565	A	586	ALA	0	-0.037	-0.013	66.553	0.000	0.000	0.000	0.000	0.000	0.000
566	A	587	ILE	0	-0.068	-0.010	68.578	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	588	ASN	0	-0.056	-0.043	70.137	0.000	0.000	0.000	0.000	0.000	0.000
568	A	589	GLY	0	0.039	0.014	67.905	0.000	0.000	0.000	0.000	0.000	0.000
569	A	590	THR	0	-0.036	0.005	66.787	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	591	ASP	-1	-0.865	-0.929	68.909	0.021	0.021	0.000	0.000	0.000	0.000
571	A	592	ASN	0	-0.036	-0.056	69.254	0.001	0.001	0.000	0.000	0.000	0.000
572	A	593	GLU	-1	-0.914	-0.938	69.107	0.025	0.025	0.000	0.000	0.000	0.000
573	A	594	VAL	0	-0.031	-0.025	70.290	0.000	0.000	0.000	0.000	0.000	0.000
574	A	595	VAL	0	-0.050	-0.012	70.379	0.001	0.001	0.000	0.000	0.000	0.000
575	A	596	THR	0	0.018	0.005	66.332	0.000	0.000	0.000	0.000	0.000	0.000
576	A	597	VAL	0	-0.022	-0.002	68.891	0.000	0.000	0.000	0.000	0.000	0.000
577	A	598	THR	0	-0.086	-0.055	70.750	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	599	ASP	-1	-0.918	-0.948	67.450	0.029	0.029	0.000	0.000	0.000	0.000
579	A	600	GLU	-1	-0.896	-0.941	70.168	0.029	0.029	0.000	0.000	0.000	0.000
580	A	601	ASN	0	-0.081	-0.051	72.294	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	602	THR	0	-0.010	-0.009	74.376	0.000	0.000	0.000	0.000	0.000	0.000
582	A	603	GLY	0	-0.005	-0.014	73.038	0.001	0.001	0.000	0.000	0.000	0.000
583	A	604	GLU	-1	-0.822	-0.876	67.377	0.030	0.030	0.000	0.000	0.000	0.000
584	A	605	ILE	0	-0.023	-0.006	70.204	0.000	0.000	0.000	0.000	0.000	0.000
585	A	606	SER	0	-0.039	-0.063	66.318	0.000	0.000	0.000	0.000	0.000	0.000
586	A	607	GLU	-1	-0.832	-0.927	63.270	0.031	0.031	0.000	0.000	0.000	0.000
587	A	608	LYS	1	0.895	0.965	66.044	-0.025	-0.025	0.000	0.000	0.000	0.000
588	A	609	VAL	0	-0.098	-0.077	65.210	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	610	LYS	1	0.997	1.031	65.089	-0.028	-0.028	0.000	0.000	0.000	0.000
590	A	611	LEU	0	-0.101	-0.051	63.679	0.000	0.000	0.000	0.000	0.000	0.000
591	A	612	GLY	0	0.089	0.057	64.995	0.001	0.001	0.000	0.000	0.000	0.000
592	A	613	THR	0	0.051	-0.025	62.744	0.000	0.000	0.000	0.000	0.000	0.000
593	A	614	LYS	1	0.995	1.042	64.995	-0.020	-0.020	0.000	0.000	0.000	0.000
594	A	615	ALA	0	-0.055	-0.023	67.315	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	616	LEU	0	-0.040	-0.020	61.339	0.000	0.000	0.000	0.000	0.000	0.000
596	A	617	ALA	0	0.017	0.003	62.798	0.000	0.000	0.000	0.000	0.000	0.000
597	A	618	GLY	0	0.032	0.010	64.068	0.000	0.000	0.000	0.000	0.000	0.000
598	A	619	GLN	0	-0.026	-0.023	62.920	0.000	0.000	0.000	0.000	0.000	0.000
599	A	620	TRP	0	-0.001	-0.017	55.340	0.000	0.000	0.000	0.000	0.000	0.000
600	A	621	LEU	0	0.001	0.013	61.417	0.000	0.000	0.000	0.000	0.000	0.000
601	A	622	ALA	0	-0.032	0.001	63.899	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	623	TYR	0	-0.129	-0.071	55.841	0.000	0.000	0.000	0.000	0.000	0.000
603	A	624	GLY	0	0.025	-0.004	60.080	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	625	VAL	0	-0.027	0.009	56.070	0.000	0.000	0.000	0.000	0.000	0.000
605	A	626	THR	0	0.084	0.035	55.437	0.000	0.000	0.000	0.000	0.000	0.000
606	A	627	ARG	1	0.927	0.931	47.609	-0.024	-0.024	0.000	0.000	0.000	0.000
607	A	628	SER	0	-0.026	-0.013	50.371	0.001	0.001	0.000	0.000	0.000	0.000
608	A	629	VAL	0	0.028	0.024	49.979	0.002	0.002	0.000	0.000	0.000	0.000
609	A	630	THR	0	0.004	0.027	50.860	0.002	0.002	0.000	0.000	0.000	0.000
610	A	631	LYS	1	0.937	0.975	44.245	-0.031	-0.031	0.000	0.000	0.000	0.000
611	A	632	ARG	1	0.916	0.977	44.815	-0.033	-0.033	0.000	0.000	0.000	0.000
612	A	633	SER	0	-0.001	-0.024	44.809	0.003	0.003	0.000	0.000	0.000	0.000
613	A	634	VAL	0	-0.039	-0.022	44.460	0.002	0.002	0.000	0.000	0.000	0.000
614	A	635	MET	0	-0.068	-0.041	40.245	0.001	0.001	0.000	0.000	0.000	0.000
615	A	636	THR	0	0.030	0.033	40.618	0.003	0.003	0.000	0.000	0.000	0.000
616	A	637	LEU	0	-0.070	-0.022	41.795	0.003	0.003	0.000	0.000	0.000	0.000
617	A	638	ALA	0	-0.055	-0.034	40.400	0.000	0.000	0.000	0.000	0.000	0.000
618	A	639	TYR	0	0.013	0.007	37.524	0.004	0.004	0.000	0.000	0.000	0.000
619	A	640	GLY	0	0.070	0.031	36.179	-0.004	-0.004	0.000	0.000	0.000	0.000
620	A	641	SER	0	-0.073	-0.034	35.329	0.006	0.006	0.000	0.000	0.000	0.000
621	A	642	LYS	1	0.901	0.961	37.291	-0.062	-0.062	0.000	0.000	0.000	0.000
622	A	643	GLU	-1	-0.977	-0.977	37.637	0.085	0.085	0.000	0.000	0.000	0.000
623	A	644	PHE	0	-0.031	-0.019	40.541	-0.003	-0.003	0.000	0.000	0.000	0.000
624	A	645	GLY	0	0.069	0.034	43.385	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	646	PHE	0	0.011	-0.021	45.762	0.001	0.001	0.000	0.000	0.000	0.000
626	A	647	ARG	1	1.047	1.030	46.737	-0.043	-0.043	0.000	0.000	0.000	0.000
627	A	648	GLN	0	-0.084	-0.026	46.168	-0.003	-0.003	0.000	0.000	0.000	0.000
628	A	649	GLN	0	0.161	0.070	42.042	0.000	0.000	0.000	0.000	0.000	0.000
629	A	650	VAL	0	0.045	0.030	47.274	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	651	LEU	0	-0.008	0.007	50.310	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	652	GLU	-1	-0.957	-0.982	45.262	0.049	0.049	0.000	0.000	0.000	0.000
632	A	653	ASP	-1	-0.856	-0.932	47.117	0.038	0.038	0.000	0.000	0.000	0.000
633	A	654	THR	0	-0.070	-0.076	49.143	-0.002	-0.002	0.000	0.000	0.000	0.000
634	A	655	ILE	0	-0.022	-0.006	52.623	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	656	GLN	0	-0.025	0.004	52.220	-0.002	-0.002	0.000	0.000	0.000	0.000
636	A	657	PRO	0	0.008	0.023	51.425	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	658	ALA	0	-0.019	-0.010	53.812	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	659	ILE	0	-0.007	-0.012	57.073	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	660	ASP	-1	-0.910	-0.969	55.261	0.031	0.031	0.000	0.000	0.000	0.000
640	A	661	SER	0	-0.100	-0.037	56.661	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	662	GLY	0	0.009	0.012	58.514	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	663	LYS	1	0.915	0.971	59.928	-0.022	-0.022	0.000	0.000	0.000	0.000
643	A	664	GLY	0	0.064	0.005	60.436	0.001	0.001	0.000	0.000	0.000	0.000
644	A	665	LEU	0	0.015	0.000	61.248	0.001	0.001	0.000	0.000	0.000	0.000
645	A	666	MET	0	-0.046	0.008	62.552	0.000	0.000	0.000	0.000	0.000	0.000
646	A	667	PHE	0	-0.025	-0.018	58.636	0.000	0.000	0.000	0.000	0.000	0.000
647	A	668	THR	0	0.031	0.006	62.495	0.001	0.001	0.000	0.000	0.000	0.000
648	A	669	GLN	0	0.039	0.030	62.234	0.001	0.001	0.000	0.000	0.000	0.000
649	A	670	PRO	0	0.023	-0.001	57.565	0.001	0.001	0.000	0.000	0.000	0.000
650	A	671	ASN	0	-0.001	-0.012	55.268	0.001	0.001	0.000	0.000	0.000	0.000
651	A	672	GLN	0	0.073	0.028	56.558	0.001	0.001	0.000	0.000	0.000	0.000
652	A	673	ALA	0	0.041	0.043	58.703	0.000	0.000	0.000	0.000	0.000	0.000
653	A	674	ALA	0	0.022	0.008	53.197	0.000	0.000	0.000	0.000	0.000	0.000
654	A	675	GLY	0	-0.108	-0.077	54.067	0.001	0.001	0.000	0.000	0.000	0.000
655	A	676	TYR	0	-0.041	-0.055	55.117	0.001	0.001	0.000	0.000	0.000	0.000
656	A	677	MET	0	0.031	0.025	53.612	0.000	0.000	0.000	0.000	0.000	0.000
657	A	678	ALA	0	-0.007	-0.001	50.692	0.001	0.001	0.000	0.000	0.000	0.000
658	A	679	LYS	1	0.950	0.975	51.846	-0.034	-0.034	0.000	0.000	0.000	0.000
659	A	680	LEU	0	0.100	0.061	54.019	0.000	0.000	0.000	0.000	0.000	0.000
660	A	681	ILE	0	0.007	0.007	49.521	0.000	0.000	0.000	0.000	0.000	0.000
661	A	682	TRP	0	-0.018	-0.017	45.420	0.001	0.001	0.000	0.000	0.000	0.000
662	A	683	GLU	-1	-0.911	-0.946	50.456	0.032	0.032	0.000	0.000	0.000	0.000
663	A	684	SER	0	-0.001	-0.006	53.019	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	685	VAL	0	-0.039	-0.010	47.741	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	686	SER	0	-0.032	-0.025	49.436	0.001	0.001	0.000	0.000	0.000	0.000
666	A	687	VAL	0	-0.002	0.005	50.455	0.000	0.000	0.000	0.000	0.000	0.000
667	A	688	THR	0	-0.120	-0.082	50.157	-0.002	-0.002	0.000	0.000	0.000	0.000
668	A	689	VAL	0	-0.013	-0.019	45.837	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	690	VAL	0	0.047	0.032	47.037	0.002	0.002	0.000	0.000	0.000	0.000
670	A	691	ALA	0	0.051	0.024	46.250	0.002	0.002	0.000	0.000	0.000	0.000
671	A	692	ALA	0	0.021	0.010	42.762	0.002	0.002	0.000	0.000	0.000	0.000
672	A	693	VAL	0	-0.011	-0.007	42.760	0.004	0.004	0.000	0.000	0.000	0.000
673	A	694	GLU	-1	-0.933	-0.969	44.064	0.047	0.047	0.000	0.000	0.000	0.000
674	A	695	ALA	0	0.079	0.037	40.350	0.002	0.002	0.000	0.000	0.000	0.000
675	A	696	MET	0	-0.078	-0.026	39.414	0.005	0.005	0.000	0.000	0.000	0.000
676	A	697	ASN	0	0.008	-0.006	39.907	0.007	0.007	0.000	0.000	0.000	0.000
677	A	698	TRP	0	0.059	0.055	37.506	0.002	0.002	0.000	0.000	0.000	0.000
678	A	699	LEU	0	0.019	0.000	34.580	0.004	0.004	0.000	0.000	0.000	0.000
679	A	700	LYS	1	0.871	0.930	36.656	-0.063	-0.063	0.000	0.000	0.000	0.000
680	A	701	SER	0	-0.016	-0.010	38.437	0.003	0.003	0.000	0.000	0.000	0.000
681	A	702	ALA	0	0.087	0.031	35.873	0.002	0.002	0.000	0.000	0.000	0.000
682	A	703	ALA	0	-0.037	-0.008	34.295	0.006	0.006	0.000	0.000	0.000	0.000
683	A	704	LYS	1	0.886	0.949	35.192	-0.067	-0.067	0.000	0.000	0.000	0.000
684	A	705	LEU	0	-0.014	-0.015	37.828	0.001	0.001	0.000	0.000	0.000	0.000
685	A	706	LEU	0	0.040	0.022	31.785	0.002	0.002	0.000	0.000	0.000	0.000
686	A	707	ALA	0	-0.010	-0.005	33.026	0.008	0.008	0.000	0.000	0.000	0.000
687	A	708	ALA	0	-0.049	-0.015	34.146	0.001	0.001	0.000	0.000	0.000	0.000
688	A	709	GLU	-1	-0.966	-1.002	35.737	0.116	0.116	0.000	0.000	0.000	0.000
689	A	710	VAL	0	-0.049	0.040	36.599	-0.006	-0.006	0.000	0.000	0.000	0.000
690	A	711	LYS	1	0.937	0.969	39.119	-0.074	-0.074	0.000	0.000	0.000	0.000
691	A	712	ASP	-1	-0.777	-0.904	42.281	0.065	0.065	0.000	0.000	0.000	0.000
692	A	713	LYS	1	0.840	0.921	45.745	-0.059	-0.059	0.000	0.000	0.000	0.000
693	A	714	LYS	1	0.883	0.926	46.252	-0.068	-0.068	0.000	0.000	0.000	0.000
694	A	715	THR	0	0.099	0.041	44.512	-0.002	-0.002	0.000	0.000	0.000	0.000
695	A	716	GLY	0	-0.058	-0.009	43.219	0.001	0.001	0.000	0.000	0.000	0.000
696	A	717	GLU	-1	-0.954	-0.967	38.698	0.095	0.095	0.000	0.000	0.000	0.000
697	A	718	ILE	0	-0.044	-0.032	34.659	0.000	0.000	0.000	0.000	0.000	0.000
698	A	719	LEU	0	0.032	0.012	36.061	0.003	0.003	0.000	0.000	0.000	0.000
699	A	720	ARG	1	0.898	0.933	32.622	-0.105	-0.105	0.000	0.000	0.000	0.000
700	A	721	LYS	1	0.945	0.960	29.875	-0.155	-0.155	0.000	0.000	0.000	0.000
701	A	722	ARG	1	0.865	0.946	31.816	-0.111	-0.111	0.000	0.000	0.000	0.000
702	A	723	CYM	-1	-0.812	-0.879	29.098	0.154	0.154	0.000	0.000	0.000	0.000
703	A	724	ALA	0	-0.113	-0.075	25.959	-0.004	-0.004	0.000	0.000	0.000	0.000
704	A	725	VAL	0	0.009	0.018	27.982	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	726	HIS	0	-0.040	-0.026	22.508	0.008	0.008	0.000	0.000	0.000	0.000
706	A	727	TRP	0	0.019	0.003	25.719	-0.007	-0.007	0.000	0.000	0.000	0.000
707	A	728	VAL	0	-0.007	-0.010	23.489	0.014	0.014	0.000	0.000	0.000	0.000
708	A	729	THR	0	-0.070	0.021	24.316	-0.011	-0.011	0.000	0.000	0.000	0.000
709	A	730	PRO	0	0.101	0.044	26.080	0.002	0.002	0.000	0.000	0.000	0.000
710	A	731	ASP	-1	-0.820	-0.907	24.284	0.075	0.075	0.000	0.000	0.000	0.000
711	A	732	GLY	0	0.037	0.016	22.635	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	733	PHE	0	-0.022	-0.048	18.390	0.016	0.016	0.000	0.000	0.000	0.000
713	A	734	PRO	0	0.016	0.031	18.836	-0.008	-0.008	0.000	0.000	0.000	0.000
714	A	735	VAL	0	0.049	0.044	21.058	0.017	0.017	0.000	0.000	0.000	0.000
715	A	736	TRP	0	0.049	0.012	18.174	0.002	0.002	0.000	0.000	0.000	0.000
716	A	737	GLN	0	-0.032	-0.002	23.608	0.004	0.004	0.000	0.000	0.000	0.000
717	A	738	GLU	-1	-0.806	-0.927	21.446	0.254	0.254	0.000	0.000	0.000	0.000
718	A	739	TYR	0	0.039	0.030	25.891	0.010	0.010	0.000	0.000	0.000	0.000
719	A	740	LYS	1	0.908	0.959	23.167	-0.228	-0.228	0.000	0.000	0.000	0.000
720	A	741	LYS	1	0.951	0.990	28.682	-0.115	-0.115	0.000	0.000	0.000	0.000
721	A	742	PRO	0	0.028	0.003	28.527	0.008	0.008	0.000	0.000	0.000	0.000
722	A	743	ILE	0	0.002	0.016	28.594	-0.010	-0.010	0.000	0.000	0.000	0.000
723	A	744	GLN	0	-0.034	-0.029	29.927	0.001	0.001	0.000	0.000	0.000	0.000
724	A	745	THR	0	0.032	0.014	30.960	-0.004	-0.004	0.000	0.000	0.000	0.000
725	A	746	ARG	1	0.898	0.936	33.751	-0.081	-0.081	0.000	0.000	0.000	0.000
726	A	747	LEU	0	-0.003	0.031	30.468	0.001	0.001	0.000	0.000	0.000	0.000
727	A	748	ASN	0	0.001	-0.021	34.797	-0.007	-0.007	0.000	0.000	0.000	0.000
728	A	749	LEU	0	-0.020	-0.009	33.278	0.000	0.000	0.000	0.000	0.000	0.000
729	A	750	MET	0	-0.061	0.025	37.530	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	751	PHE	0	0.048	0.000	36.685	0.002	0.002	0.000	0.000	0.000	0.000
731	A	752	LEU	0	0.101	0.059	40.207	-0.002	-0.002	0.000	0.000	0.000	0.000
732	A	753	GLY	0	-0.028	-0.026	42.153	-0.003	-0.003	0.000	0.000	0.000	0.000
733	A	754	GLN	0	-0.016	-0.005	44.167	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	755	PHE	0	0.004	-0.009	41.848	-0.001	-0.001	0.000	0.000	0.000	0.000
735	A	756	ARG	1	0.923	0.946	41.725	-0.060	-0.060	0.000	0.000	0.000	0.000
736	A	757	LEU	0	0.059	0.056	36.363	0.001	0.001	0.000	0.000	0.000	0.000
737	A	758	GLN	0	-0.053	-0.037	38.002	0.001	0.001	0.000	0.000	0.000	0.000
738	A	759	PRO	0	0.040	0.036	34.141	-0.001	-0.001	0.000	0.000	0.000	0.000
739	A	760	THR	0	0.039	0.021	34.734	0.004	0.004	0.000	0.000	0.000	0.000
740	A	761	ILE	0	0.013	0.012	28.642	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	762	ASN	0	0.033	0.014	28.429	-0.004	-0.004	0.000	0.000	0.000	0.000
742	A	763	THR	0	0.028	0.024	25.617	0.003	0.003	0.000	0.000	0.000	0.000
743	A	764	ASN	0	0.006	-0.003	20.797	-0.019	-0.019	0.000	0.000	0.000	0.000
744	A	765	LYS	1	0.914	0.956	22.620	-0.220	-0.220	0.000	0.000	0.000	0.000
745	A	766	ASP	-1	-0.859	-0.940	23.957	0.207	0.207	0.000	0.000	0.000	0.000
746	A	767	SER	0	-0.068	-0.037	26.664	0.001	0.001	0.000	0.000	0.000	0.000
747	A	768	GLU	-1	-0.897	-0.964	29.917	0.124	0.124	0.000	0.000	0.000	0.000
748	A	769	ILE	0	0.027	0.015	28.334	-0.001	-0.001	0.000	0.000	0.000	0.000
749	A	770	ASP	-1	-0.928	-0.979	30.597	0.102	0.102	0.000	0.000	0.000	0.000
750	A	771	ALA	0	0.041	0.009	33.007	-0.001	-0.001	0.000	0.000	0.000	0.000
751	A	772	HIS	0	0.034	0.028	35.459	-0.001	-0.001	0.000	0.000	0.000	0.000
752	A	773	LYS	1	0.957	0.963	32.085	-0.108	-0.108	0.000	0.000	0.000	0.000
753	A	774	GLN	0	0.021	0.023	28.686	0.000	0.000	0.000	0.000	0.000	0.000
754	A	775	GLU	-1	-0.875	-0.951	32.996	0.077	0.077	0.000	0.000	0.000	0.000
755	A	776	SER	0	-0.095	-0.044	35.906	-0.005	-0.005	0.000	0.000	0.000	0.000
756	A	777	GLY	0	0.027	0.011	32.815	-0.004	-0.004	0.000	0.000	0.000	0.000
757	A	778	ILE	0	-0.010	0.010	31.554	0.000	0.000	0.000	0.000	0.000	0.000
758	A	779	ALA	0	0.053	0.028	32.974	0.000	0.000	0.000	0.000	0.000	0.000
759	A	780	PRO	0	0.002	-0.008	33.888	-0.002	-0.002	0.000	0.000	0.000	0.000
760	A	781	ASN	0	-0.021	-0.033	28.893	-0.002	-0.002	0.000	0.000	0.000	0.000
761	A	782	PHE	0	0.035	0.028	29.347	0.004	0.004	0.000	0.000	0.000	0.000
762	A	783	VAL	0	0.028	0.022	31.202	-0.002	-0.002	0.000	0.000	0.000	0.000
763	A	784	HIS	0	-0.040	-0.023	29.394	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	785	SER	0	-0.045	-0.008	26.602	0.000	0.000	0.000	0.000	0.000	0.000
765	A	786	GLN	0	0.004	0.000	27.854	-0.005	-0.005	0.000	0.000	0.000	0.000
766	A	787	ASP	-1	-0.819	-0.907	30.597	0.063	0.063	0.000	0.000	0.000	0.000
767	A	788	GLY	0	0.023	0.005	27.003	-0.004	-0.004	0.000	0.000	0.000	0.000
768	A	789	SER	0	-0.022	-0.023	26.335	-0.005	-0.005	0.000	0.000	0.000	0.000
769	A	790	HIS	0	0.014	0.023	27.263	-0.006	-0.006	0.000	0.000	0.000	0.000
770	A	791	LEU	0	0.009	0.006	26.873	-0.007	-0.007	0.000	0.000	0.000	0.000
771	A	792	ARG	1	0.769	0.872	22.474	-0.096	-0.096	0.000	0.000	0.000	0.000
772	A	793	LYS	1	0.955	0.981	26.309	-0.046	-0.046	0.000	0.000	0.000	0.000
773	A	794	THR	0	0.005	-0.007	28.368	-0.008	-0.008	0.000	0.000	0.000	0.000
774	A	795	VAL	0	-0.062	-0.022	25.814	-0.006	-0.006	0.000	0.000	0.000	0.000
775	A	796	VAL	0	-0.010	-0.002	24.700	-0.008	-0.008	0.000	0.000	0.000	0.000
776	A	797	TRP	0	0.018	0.002	27.398	-0.009	-0.009	0.000	0.000	0.000	0.000
777	A	798	ALA	0	-0.004	-0.020	31.026	-0.004	-0.004	0.000	0.000	0.000	0.000
778	A	799	HIS	0	-0.126	-0.069	26.848	-0.010	-0.010	0.000	0.000	0.000	0.000
779	A	800	GLU	-1	-0.893	-0.955	26.335	-0.029	-0.029	0.000	0.000	0.000	0.000
780	A	801	LYS	1	0.865	0.973	30.525	0.011	0.011	0.000	0.000	0.000	0.000
781	A	802	TYR	0	-0.085	-0.086	34.091	-0.003	-0.003	0.000	0.000	0.000	0.000
782	A	803	GLY	0	0.048	0.021	33.660	-0.002	-0.002	0.000	0.000	0.000	0.000
783	A	804	ILE	0	-0.044	-0.001	32.191	-0.003	-0.003	0.000	0.000	0.000	0.000
784	A	805	GLU	-1	-0.903	-0.958	29.659	-0.053	-0.053	0.000	0.000	0.000	0.000
785	A	806	SER	0	-0.066	-0.046	28.901	-0.002	-0.002	0.000	0.000	0.000	0.000
786	A	807	PHE	0	0.073	0.023	28.459	0.004	0.004	0.000	0.000	0.000	0.000
787	A	808	ALA	0	-0.021	-0.009	29.825	0.000	0.000	0.000	0.000	0.000	0.000
788	A	809	LEU	0	-0.012	-0.001	26.632	0.002	0.002	0.000	0.000	0.000	0.000
789	A	810	ILE	0	0.007	-0.017	29.443	0.004	0.004	0.000	0.000	0.000	0.000
790	A	811	HIS	0	-0.013	-0.002	26.692	0.001	0.001	0.000	0.000	0.000	0.000
791	A	812	ASP	-1	-0.920	-0.955	30.848	0.044	0.044	0.000	0.000	0.000	0.000
792	A	813	SER	0	0.014	0.015	33.658	-0.004	-0.004	0.000	0.000	0.000	0.000
793	A	814	PHE	0	-0.036	-0.034	31.659	0.002	0.002	0.000	0.000	0.000	0.000
794	A	815	GLY	0	0.084	0.031	33.707	-0.002	-0.002	0.000	0.000	0.000	0.000
795	A	816	THR	0	-0.038	-0.038	33.788	-0.002	-0.002	0.000	0.000	0.000	0.000
796	A	817	ILE	0	-0.063	0.005	35.655	0.001	0.001	0.000	0.000	0.000	0.000
797	A	818	PRO	0	0.029	-0.007	38.089	0.000	0.000	0.000	0.000	0.000	0.000
798	A	819	ALA	0	-0.027	-0.014	40.823	0.001	0.001	0.000	0.000	0.000	0.000
799	A	820	ASP	-1	-0.840	-0.907	36.579	-0.023	-0.023	0.000	0.000	0.000	0.000
800	A	821	ALA	0	-0.008	-0.002	38.805	0.002	0.002	0.000	0.000	0.000	0.000
801	A	822	ALA	0	0.047	0.022	40.457	0.002	0.002	0.000	0.000	0.000	0.000
802	A	823	ASN	0	0.014	0.005	38.458	0.003	0.003	0.000	0.000	0.000	0.000
803	A	824	LEU	0	-0.031	0.003	34.485	0.002	0.002	0.000	0.000	0.000	0.000
804	A	825	PHE	0	-0.008	-0.012	37.518	0.004	0.004	0.000	0.000	0.000	0.000
805	A	826	LYS	1	0.946	0.982	40.316	0.004	0.004	0.000	0.000	0.000	0.000
806	A	827	ALA	0	0.004	-0.007	34.816	0.002	0.002	0.000	0.000	0.000	0.000
807	A	828	VAL	0	0.004	0.002	34.985	0.003	0.003	0.000	0.000	0.000	0.000
808	A	829	ARG	1	0.899	0.949	36.492	-0.011	-0.011	0.000	0.000	0.000	0.000
809	A	830	GLU	-1	-0.790	-0.877	37.246	0.003	0.003	0.000	0.000	0.000	0.000
810	A	831	THR	0	-0.036	0.010	32.441	0.001	0.001	0.000	0.000	0.000	0.000
811	A	832	MET	0	-0.043	-0.017	34.604	0.005	0.005	0.000	0.000	0.000	0.000
812	A	833	VAL	0	-0.062	-0.037	36.491	0.003	0.003	0.000	0.000	0.000	0.000
813	A	834	ASP	-1	-0.880	-0.948	33.730	0.022	0.022	0.000	0.000	0.000	0.000
814	A	835	THR	0	-0.018	-0.008	32.230	0.003	0.003	0.000	0.000	0.000	0.000
815	A	836	TYR	0	0.003	-0.051	34.230	0.004	0.004	0.000	0.000	0.000	0.000
816	A	837	GLU	-1	-0.909	-0.939	37.068	0.018	0.018	0.000	0.000	0.000	0.000
817	A	838	SER	0	-0.046	-0.020	34.392	-0.001	-0.001	0.000	0.000	0.000	0.000
818	A	839	CYS	0	-0.042	-0.017	32.247	0.003	0.003	0.000	0.000	0.000	0.000
819	A	840	ASP	-1	-0.878	-0.922	34.845	0.047	0.047	0.000	0.000	0.000	0.000
820	A	841	VAL	0	0.067	0.014	32.294	0.003	0.003	0.000	0.000	0.000	0.000
821	A	842	LEU	0	-0.020	-0.008	33.587	0.006	0.006	0.000	0.000	0.000	0.000
822	A	843	ALA	0	0.009	0.012	35.865	0.004	0.004	0.000	0.000	0.000	0.000
823	A	844	ASP	-1	-0.857	-0.938	31.209	0.065	0.065	0.000	0.000	0.000	0.000
824	A	845	PHE	0	-0.095	-0.062	30.547	0.009	0.009	0.000	0.000	0.000	0.000
825	A	846	TYR	0	0.037	-0.029	32.575	0.005	0.005	0.000	0.000	0.000	0.000
826	A	847	ASP	-1	-0.979	-0.975	32.911	0.069	0.069	0.000	0.000	0.000	0.000
827	A	848	GLN	0	-0.066	-0.031	26.376	0.011	0.011	0.000	0.000	0.000	0.000
828	A	849	PHE	0	-0.113	-0.036	30.170	0.008	0.008	0.000	0.000	0.000	0.000
829	A	850	ALA	0	0.015	0.012	32.539	-0.003	-0.003	0.000	0.000	0.000	0.000
830	A	851	ASP	-1	-0.918	-0.968	31.586	0.088	0.088	0.000	0.000	0.000	0.000
831	A	852	GLN	0	-0.056	-0.053	28.630	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	853	LEU	0	-0.070	-0.004	31.031	0.004	0.004	0.000	0.000	0.000	0.000
833	A	854	HIS	0	0.007	-0.006	33.574	-0.002	-0.002	0.000	0.000	0.000	0.000
834	A	855	GLU	-1	-0.816	-0.894	37.229	0.093	0.093	0.000	0.000	0.000	0.000
835	A	856	SER	0	-0.073	-0.030	38.431	-0.003	-0.003	0.000	0.000	0.000	0.000
836	A	857	GLN	0	-0.055	-0.060	42.102	0.001	0.001	0.000	0.000	0.000	0.000
837	A	858	LEU	0	0.024	0.038	40.817	-0.002	-0.002	0.000	0.000	0.000	0.000
838	A	859	ASP	-1	-0.806	-0.907	42.309	0.053	0.053	0.000	0.000	0.000	0.000
839	A	860	LYS	1	0.859	0.923	44.717	-0.047	-0.047	0.000	0.000	0.000	0.000
840	A	861	MET	0	-0.064	-0.010	39.076	-0.001	-0.001	0.000	0.000	0.000	0.000
841	A	862	PRO	0	-0.005	-0.028	42.263	-0.001	-0.001	0.000	0.000	0.000	0.000
842	A	863	ALA	0	-0.008	0.014	43.290	-0.001	-0.001	0.000	0.000	0.000	0.000
843	A	864	LEU	0	0.013	0.011	38.956	0.000	0.000	0.000	0.000	0.000	0.000
844	A	865	PRO	0	0.005	0.015	41.660	-0.002	-0.002	0.000	0.000	0.000	0.000
845	A	866	ALA	0	0.002	-0.007	44.267	0.000	0.000	0.000	0.000	0.000	0.000
846	A	867	LYS	1	0.895	0.952	41.704	-0.037	-0.037	0.000	0.000	0.000	0.000
847	A	868	GLY	0	0.001	-0.023	45.916	-0.001	-0.001	0.000	0.000	0.000	0.000
848	A	869	ASN	0	-0.050	-0.044	48.269	-0.001	-0.001	0.000	0.000	0.000	0.000
849	A	870	LEU	0	-0.065	-0.002	44.270	-0.002	-0.002	0.000	0.000	0.000	0.000
850	A	871	ASN	0	0.006	0.011	46.922	0.001	0.001	0.000	0.000	0.000	0.000
851	A	872	LEU	0	0.012	-0.010	40.496	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	873	ARG	1	0.862	0.921	41.628	-0.014	-0.014	0.000	0.000	0.000	0.000
853	A	874	ASP	-1	-0.857	-0.931	45.283	0.014	0.014	0.000	0.000	0.000	0.000
854	A	875	ILE	0	-0.043	-0.021	41.198	0.000	0.000	0.000	0.000	0.000	0.000
855	A	876	LEU	0	-0.083	-0.060	41.183	-0.001	-0.001	0.000	0.000	0.000	0.000
856	A	877	GLU	-1	-0.919	-0.955	44.426	0.004	0.004	0.000	0.000	0.000	0.000
857	A	878	SER	0	-0.106	-0.057	45.606	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	879	ASP	-1	-0.855	-0.940	45.814	0.008	0.008	0.000	0.000	0.000	0.000
859	A	880	PHE	0	-0.017	-0.036	46.172	0.000	0.000	0.000	0.000	0.000	0.000
860	A	881	ALA	0	-0.013	0.016	43.055	0.002	0.002	0.000	0.000	0.000	0.000
861	A	882	PHE	0	-0.046	0.004	40.053	-0.001	-0.001	0.000	0.000	0.000	0.000
862	A	883	ALA	0	0.044	0.031	36.542	0.002	0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:6:ILE)