FMO DATABASE

FMODB ID: QN8YY

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	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	862
LigandCharge	CYM=-1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23873891.632885
FMO2-HF: Nuclear repulsion	23533012.435895
FMO2-HF: Total energy	-340879.19699
FMO2-MP2: Total energy	-341867.401907

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.
-21.925	-12.41	15.499	-9.934	-15.078	-0.056

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 : 0.006 / q_NPA : 0.004

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	0.902	0.959	2.090	-6.533	-2.701	3.152	-2.334	-4.649	0.007
4	A	9	ASN	0	0.039	0.000	2.762	-2.459	-0.954	0.421	-0.653	-1.273	-0.012
5	A	10	ASP	-1	-0.845	-0.890	1.984	-11.441	-11.796	10.592	-5.099	-5.138	-0.051
6	A	11	PHE	0	0.015	0.013	3.494	0.560	1.118	0.003	-0.140	-0.421	0.000
7	A	12	SER	0	0.027	0.016	7.155	0.153	0.153	0.000	0.000	0.000	0.000
8	A	13	ASP	-1	-0.795	-0.893	10.767	-0.876	-0.876	0.000	0.000	0.000	0.000
9	A	14	ILE	0	-0.022	-0.017	12.736	0.084	0.084	0.000	0.000	0.000	0.000
10	A	15	GLU	-1	-0.840	-0.912	10.178	-1.254	-1.254	0.000	0.000	0.000	0.000
11	A	16	LEU	0	-0.014	-0.003	6.988	0.134	0.134	0.000	0.000	0.000	0.000
12	A	17	ALA	0	0.010	0.003	10.914	0.140	0.140	0.000	0.000	0.000	0.000
13	A	18	ALA	0	0.010	-0.005	13.656	0.100	0.100	0.000	0.000	0.000	0.000
14	A	19	ILE	0	-0.019	-0.010	9.272	0.097	0.097	0.000	0.000	0.000	0.000
15	A	20	PRO	0	0.021	0.012	11.591	0.100	0.100	0.000	0.000	0.000	0.000
16	A	21	PHE	0	-0.002	-0.013	13.757	0.069	0.069	0.000	0.000	0.000	0.000
17	A	22	ASN	0	0.068	0.027	15.690	0.029	0.029	0.000	0.000	0.000	0.000
18	A	23	THR	0	0.042	0.021	13.427	0.055	0.055	0.000	0.000	0.000	0.000
19	A	24	LEU	0	-0.045	-0.012	16.321	0.046	0.046	0.000	0.000	0.000	0.000
20	A	25	ALA	0	-0.016	-0.003	18.286	0.019	0.019	0.000	0.000	0.000	0.000
21	A	26	ASP	-1	-0.952	-0.965	19.015	-0.072	-0.072	0.000	0.000	0.000	0.000
22	A	27	HIS	1	0.860	0.925	17.184	0.091	0.091	0.000	0.000	0.000	0.000
23	A	28	TYR	0	0.019	-0.025	19.211	-0.014	-0.014	0.000	0.000	0.000	0.000
24	A	29	GLY	0	0.016	0.020	23.453	0.005	0.005	0.000	0.000	0.000	0.000
25	A	30	GLU	-1	-0.726	-0.857	23.576	-0.134	-0.134	0.000	0.000	0.000	0.000
26	A	31	ARG	1	0.824	0.916	24.655	0.055	0.055	0.000	0.000	0.000	0.000
27	A	32	LEU	0	0.033	0.002	24.635	-0.003	-0.003	0.000	0.000	0.000	0.000
28	A	33	ALA	0	0.039	0.037	20.371	0.001	0.001	0.000	0.000	0.000	0.000
29	A	34	ARG	1	0.773	0.862	21.031	0.134	0.134	0.000	0.000	0.000	0.000
30	A	35	GLU	-1	-0.861	-0.920	23.429	-0.062	-0.062	0.000	0.000	0.000	0.000
31	A	36	GLN	0	0.027	-0.012	18.680	0.013	0.013	0.000	0.000	0.000	0.000
32	A	37	LEU	0	0.024	0.015	16.241	0.000	0.000	0.000	0.000	0.000	0.000
33	A	38	ALA	0	-0.022	-0.015	19.887	-0.003	-0.003	0.000	0.000	0.000	0.000
34	A	39	LEU	0	-0.050	-0.013	23.012	0.004	0.004	0.000	0.000	0.000	0.000
35	A	40	GLU	-1	-0.747	-0.858	16.258	-0.105	-0.105	0.000	0.000	0.000	0.000
36	A	41	HIS	0	-0.021	-0.033	17.573	0.018	0.018	0.000	0.000	0.000	0.000
37	A	42	GLU	-1	-0.736	-0.820	21.216	-0.071	-0.071	0.000	0.000	0.000	0.000
38	A	43	SER	0	-0.066	-0.040	19.946	0.011	0.011	0.000	0.000	0.000	0.000
39	A	44	TYR	0	0.021	0.006	16.718	0.001	0.001	0.000	0.000	0.000	0.000
40	A	45	GLU	-1	-0.814	-0.905	22.618	-0.158	-0.158	0.000	0.000	0.000	0.000
41	A	46	MET	0	-0.048	0.009	25.447	0.003	0.003	0.000	0.000	0.000	0.000
42	A	47	GLY	0	0.035	0.017	27.551	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	48	GLU	-1	-0.807	-0.928	28.657	-0.079	-0.079	0.000	0.000	0.000	0.000
44	A	49	ALA	0	-0.048	-0.031	30.975	0.007	0.007	0.000	0.000	0.000	0.000
45	A	50	ARG	1	0.799	0.890	26.520	0.097	0.097	0.000	0.000	0.000	0.000
46	A	51	PHE	0	0.043	0.009	32.735	0.007	0.007	0.000	0.000	0.000	0.000
47	A	52	ARG	1	0.961	0.989	34.538	0.070	0.070	0.000	0.000	0.000	0.000
48	A	53	LYS	1	0.931	0.964	35.922	0.062	0.062	0.000	0.000	0.000	0.000
49	A	54	MET	0	-0.037	-0.007	36.315	0.004	0.004	0.000	0.000	0.000	0.000
50	A	55	PHE	0	-0.026	0.004	38.406	0.003	0.003	0.000	0.000	0.000	0.000
51	A	72	PRO	0	0.028	0.016	38.713	0.001	0.001	0.000	0.000	0.000	0.000
52	A	73	LEU	0	0.068	0.029	38.585	-0.003	-0.003	0.000	0.000	0.000	0.000
53	A	74	ILE	0	0.055	0.030	32.789	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	75	THR	0	-0.037	-0.023	36.682	-0.003	-0.003	0.000	0.000	0.000	0.000
55	A	76	THR	0	-0.093	-0.046	39.172	0.000	0.000	0.000	0.000	0.000	0.000
56	A	77	LEU	0	0.038	0.000	36.153	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	78	LEU	0	0.011	0.020	31.366	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	79	PRO	0	-0.007	-0.002	35.158	-0.003	-0.003	0.000	0.000	0.000	0.000
59	A	80	LYS	1	0.953	0.981	37.610	0.043	0.043	0.000	0.000	0.000	0.000
60	A	81	MET	0	0.002	0.028	32.384	0.000	0.000	0.000	0.000	0.000	0.000
61	A	82	ILE	0	-0.010	-0.012	32.531	-0.002	-0.002	0.000	0.000	0.000	0.000
62	A	83	ALA	0	-0.004	0.011	34.791	-0.003	-0.003	0.000	0.000	0.000	0.000
63	A	84	ARG	1	0.803	0.873	37.797	0.046	0.046	0.000	0.000	0.000	0.000
64	A	85	ILE	0	-0.002	-0.015	31.075	0.000	0.000	0.000	0.000	0.000	0.000
65	A	86	ASN	0	-0.055	-0.031	33.691	-0.007	-0.007	0.000	0.000	0.000	0.000
66	A	87	ASP	-1	-0.836	-0.921	35.668	-0.059	-0.059	0.000	0.000	0.000	0.000
67	A	88	TRP	0	-0.003	-0.008	31.543	0.000	0.000	0.000	0.000	0.000	0.000
68	A	89	PHE	0	-0.028	-0.032	29.325	0.001	0.001	0.000	0.000	0.000	0.000
69	A	90	GLU	-1	-0.922	-0.953	35.142	-0.073	-0.073	0.000	0.000	0.000	0.000
70	A	91	GLU	-1	-0.820	-0.896	38.463	-0.045	-0.045	0.000	0.000	0.000	0.000
71	A	92	VAL	0	-0.071	-0.038	34.773	0.003	0.003	0.000	0.000	0.000	0.000
72	A	93	LYS	1	0.898	0.960	31.865	0.100	0.100	0.000	0.000	0.000	0.000
73	A	94	ALA	0	0.016	0.021	37.656	0.000	0.000	0.000	0.000	0.000	0.000
74	A	95	LYS	1	0.852	0.933	40.610	0.050	0.050	0.000	0.000	0.000	0.000
75	A	96	ARG	1	0.969	0.987	40.560	0.039	0.039	0.000	0.000	0.000	0.000
76	A	97	GLY	0	0.026	0.011	40.581	0.002	0.002	0.000	0.000	0.000	0.000
77	A	98	LYS	1	0.937	0.961	35.004	0.034	0.034	0.000	0.000	0.000	0.000
78	A	99	ARG	1	0.914	0.964	33.666	0.071	0.071	0.000	0.000	0.000	0.000
79	A	100	PRO	0	-0.007	0.001	34.019	0.002	0.002	0.000	0.000	0.000	0.000
80	A	101	THR	0	0.032	-0.008	28.359	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	102	ALA	0	0.034	0.025	28.814	-0.006	-0.006	0.000	0.000	0.000	0.000
82	A	103	PHE	0	0.019	0.012	28.649	-0.006	-0.006	0.000	0.000	0.000	0.000
83	A	104	GLN	0	-0.039	-0.024	27.832	-0.008	-0.008	0.000	0.000	0.000	0.000
84	A	105	PHE	0	-0.047	-0.003	22.018	-0.007	-0.007	0.000	0.000	0.000	0.000
85	A	106	LEU	0	0.016	-0.017	24.680	-0.010	-0.010	0.000	0.000	0.000	0.000
86	A	107	GLN	0	-0.077	-0.041	27.027	0.004	0.004	0.000	0.000	0.000	0.000
87	A	108	GLU	-1	-0.878	-0.933	23.063	-0.159	-0.159	0.000	0.000	0.000	0.000
88	A	109	ILE	0	-0.069	-0.020	22.381	-0.017	-0.017	0.000	0.000	0.000	0.000
89	A	110	LYS	1	0.895	0.948	24.593	0.168	0.168	0.000	0.000	0.000	0.000
90	A	111	PRO	0	0.064	0.028	26.577	0.004	0.004	0.000	0.000	0.000	0.000
91	A	112	GLU	-1	-0.860	-0.955	28.716	-0.113	-0.113	0.000	0.000	0.000	0.000
92	A	113	ALA	0	0.005	0.011	24.146	0.007	0.007	0.000	0.000	0.000	0.000
93	A	114	VAL	0	0.014	0.007	26.237	0.010	0.010	0.000	0.000	0.000	0.000
94	A	115	ALA	0	0.016	0.022	27.462	0.010	0.010	0.000	0.000	0.000	0.000
95	A	116	TYR	0	-0.050	-0.041	26.497	0.008	0.008	0.000	0.000	0.000	0.000
96	A	117	ILE	0	0.021	0.014	22.752	0.009	0.009	0.000	0.000	0.000	0.000
97	A	118	THR	0	-0.011	-0.002	26.454	0.011	0.011	0.000	0.000	0.000	0.000
98	A	119	ILE	0	-0.015	0.004	29.452	0.008	0.008	0.000	0.000	0.000	0.000
99	A	120	LYS	1	0.839	0.915	25.364	0.063	0.063	0.000	0.000	0.000	0.000
100	A	121	THR	0	-0.040	-0.035	26.149	0.008	0.008	0.000	0.000	0.000	0.000
101	A	122	THR	0	-0.007	-0.012	28.035	0.008	0.008	0.000	0.000	0.000	0.000
102	A	123	LEU	0	0.017	-0.002	31.662	0.005	0.005	0.000	0.000	0.000	0.000
103	A	124	ALA	0	0.017	0.009	28.240	0.004	0.004	0.000	0.000	0.000	0.000
104	A	125	CYS	0	-0.071	-0.028	28.869	0.007	0.007	0.000	0.000	0.000	0.000
105	A	126	LEU	0	-0.018	-0.007	30.960	0.004	0.004	0.000	0.000	0.000	0.000
106	A	127	THR	0	-0.042	-0.026	31.617	0.002	0.002	0.000	0.000	0.000	0.000
107	A	128	SER	0	-0.076	-0.035	32.609	0.004	0.004	0.000	0.000	0.000	0.000
108	A	129	ALA	0	-0.003	-0.004	34.419	-0.003	-0.003	0.000	0.000	0.000	0.000
109	A	130	ASP	-1	-0.885	-0.932	36.697	0.018	0.018	0.000	0.000	0.000	0.000
110	A	131	ASN	0	0.006	0.000	32.405	-0.006	-0.006	0.000	0.000	0.000	0.000
111	A	132	THR	0	0.043	0.026	33.580	0.001	0.001	0.000	0.000	0.000	0.000
112	A	133	THR	0	0.001	-0.015	33.767	-0.003	-0.003	0.000	0.000	0.000	0.000
113	A	134	VAL	0	0.033	0.011	33.399	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	135	GLN	0	-0.011	-0.023	31.217	-0.004	-0.004	0.000	0.000	0.000	0.000
115	A	136	ALA	0	-0.015	0.004	29.268	0.001	0.001	0.000	0.000	0.000	0.000
116	A	137	VAL	0	0.044	0.011	28.420	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	138	ALA	0	0.009	0.010	28.664	-0.005	-0.005	0.000	0.000	0.000	0.000
118	A	139	SER	0	0.003	0.000	24.832	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	140	ALA	0	-0.035	-0.006	24.208	0.000	0.000	0.000	0.000	0.000	0.000
120	A	141	ILE	0	0.007	0.003	23.807	-0.005	-0.005	0.000	0.000	0.000	0.000
121	A	142	GLY	0	0.044	0.014	24.241	-0.009	-0.009	0.000	0.000	0.000	0.000
122	A	143	ARG	1	0.883	0.947	16.026	-0.049	-0.049	0.000	0.000	0.000	0.000
123	A	144	ALA	0	0.015	0.007	19.739	-0.010	-0.010	0.000	0.000	0.000	0.000
124	A	145	ILE	0	0.017	0.011	20.919	-0.015	-0.015	0.000	0.000	0.000	0.000
125	A	146	GLU	-1	-0.668	-0.794	15.902	-0.051	-0.051	0.000	0.000	0.000	0.000
126	A	147	ASP	-1	-0.929	-0.971	16.056	-0.056	-0.056	0.000	0.000	0.000	0.000
127	A	148	GLU	-1	-0.769	-0.830	16.698	-0.197	-0.197	0.000	0.000	0.000	0.000
128	A	149	ALA	0	-0.011	-0.014	18.665	-0.027	-0.027	0.000	0.000	0.000	0.000
129	A	150	ARG	1	0.866	0.956	10.213	0.081	0.081	0.000	0.000	0.000	0.000
130	A	151	PHE	0	0.033	0.015	9.243	0.032	0.032	0.000	0.000	0.000	0.000
131	A	152	GLY	0	0.086	0.055	14.065	-0.031	-0.031	0.000	0.000	0.000	0.000
132	A	153	ARG	1	0.813	0.875	13.460	0.598	0.598	0.000	0.000	0.000	0.000
133	A	154	ILE	0	0.013	0.011	10.887	-0.011	-0.011	0.000	0.000	0.000	0.000
134	A	155	ARG	1	0.791	0.851	15.203	0.205	0.205	0.000	0.000	0.000	0.000
135	A	156	ASP	-1	-0.845	-0.908	17.756	-0.246	-0.246	0.000	0.000	0.000	0.000
136	A	157	LEU	0	-0.006	-0.001	16.271	0.022	0.022	0.000	0.000	0.000	0.000
137	A	158	GLU	-1	-0.708	-0.846	14.481	-0.342	-0.342	0.000	0.000	0.000	0.000
138	A	159	ALA	0	-0.011	-0.001	18.020	0.027	0.027	0.000	0.000	0.000	0.000
139	A	160	LYS	1	0.749	0.851	21.568	0.283	0.283	0.000	0.000	0.000	0.000
140	A	161	HIS	0	-0.032	0.011	18.298	0.014	0.014	0.000	0.000	0.000	0.000
141	A	162	PHE	0	0.107	0.052	19.458	0.027	0.027	0.000	0.000	0.000	0.000
142	A	163	LYS	1	0.898	0.960	22.025	0.179	0.179	0.000	0.000	0.000	0.000
143	A	164	LYS	1	0.845	0.920	23.433	0.263	0.263	0.000	0.000	0.000	0.000
144	A	165	ASN	0	-0.042	-0.023	25.000	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	166	VAL	0	0.000	0.014	21.550	-0.010	-0.010	0.000	0.000	0.000	0.000
146	A	167	GLU	-1	-0.869	-0.954	21.879	-0.212	-0.212	0.000	0.000	0.000	0.000
147	A	168	GLU	-1	-0.933	-0.972	25.267	-0.104	-0.104	0.000	0.000	0.000	0.000
148	A	169	GLN	0	0.041	0.034	27.639	0.003	0.003	0.000	0.000	0.000	0.000
149	A	170	LEU	0	0.050	0.022	28.650	0.001	0.001	0.000	0.000	0.000	0.000
150	A	171	ASN	0	-0.013	-0.015	30.473	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	172	LYS	1	0.958	0.982	24.298	0.094	0.094	0.000	0.000	0.000	0.000
152	A	173	ARG	1	0.851	0.912	26.199	0.111	0.111	0.000	0.000	0.000	0.000
153	A	174	VAL	0	-0.051	-0.023	27.737	0.000	0.000	0.000	0.000	0.000	0.000
154	A	175	GLY	0	0.074	0.040	27.103	0.000	0.000	0.000	0.000	0.000	0.000
155	A	176	HIS	0	0.008	-0.015	27.953	0.015	0.015	0.000	0.000	0.000	0.000
156	A	177	VAL	0	-0.043	-0.021	29.484	0.008	0.008	0.000	0.000	0.000	0.000
157	A	178	TYR	0	0.019	-0.012	32.757	0.006	0.006	0.000	0.000	0.000	0.000
158	A	179	LYS	1	0.939	0.997	28.793	0.023	0.023	0.000	0.000	0.000	0.000
159	A	180	LYS	1	0.910	0.956	33.417	0.000	0.000	0.000	0.000	0.000	0.000
160	A	181	ALA	0	0.037	0.007	31.890	0.004	0.004	0.000	0.000	0.000	0.000
161	A	182	PHE	0	-0.027	-0.013	28.677	-0.005	-0.005	0.000	0.000	0.000	0.000
162	A	183	MET	0	-0.060	-0.010	24.411	0.001	0.001	0.000	0.000	0.000	0.000
163	A	184	GLN	0	0.114	0.076	22.932	0.003	0.003	0.000	0.000	0.000	0.000
164	A	185	VAL	0	0.034	0.022	17.594	-0.017	-0.017	0.000	0.000	0.000	0.000
165	A	186	VAL	0	-0.057	-0.019	15.770	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	187	GLU	-1	-0.850	-0.929	16.706	0.170	0.170	0.000	0.000	0.000	0.000
167	A	188	ALA	0	0.009	-0.011	12.843	-0.015	-0.015	0.000	0.000	0.000	0.000
168	A	189	ASP	-1	-0.879	-0.937	11.935	0.312	0.312	0.000	0.000	0.000	0.000
169	A	190	MET	0	-0.079	-0.026	12.752	-0.049	-0.049	0.000	0.000	0.000	0.000
170	A	191	LEU	0	-0.056	-0.034	9.959	-0.122	-0.122	0.000	0.000	0.000	0.000
171	A	192	SER	0	0.042	0.020	7.718	0.046	0.046	0.000	0.000	0.000	0.000
172	A	193	LYS	1	0.929	0.933	2.498	-1.303	0.371	0.768	-0.868	-1.574	0.005
173	A	194	GLY	0	0.006	0.009	3.725	-1.386	-0.984	0.011	-0.190	-0.223	-0.001
174	A	195	LEU	0	-0.011	-0.001	6.166	0.230	0.230	0.000	0.000	0.000	0.000
175	A	196	LEU	0	0.013	0.023	2.660	-0.755	0.130	0.436	-0.222	-1.099	-0.001
176	A	197	GLY	0	0.020	0.009	3.182	-0.868	-0.014	0.118	-0.415	-0.556	-0.003
177	A	198	GLY	0	0.010	-0.004	4.172	0.212	0.354	-0.001	-0.012	-0.129	0.000
178	A	199	GLU	-1	-0.857	-0.920	5.056	0.109	0.127	-0.001	-0.001	-0.016	0.000
179	A	200	ALA	0	0.049	0.033	8.180	-0.103	-0.103	0.000	0.000	0.000	0.000
180	A	201	TRP	0	-0.041	-0.011	10.845	-0.042	-0.042	0.000	0.000	0.000	0.000
181	A	202	SER	0	-0.085	-0.049	13.146	-0.018	-0.018	0.000	0.000	0.000	0.000
182	A	203	SER	0	-0.080	-0.069	14.865	0.015	0.015	0.000	0.000	0.000	0.000
183	A	204	TRP	0	0.041	0.026	16.891	-0.004	-0.004	0.000	0.000	0.000	0.000
184	A	205	HIS	0	0.009	0.012	20.401	0.024	0.024	0.000	0.000	0.000	0.000
185	A	206	LYS	1	0.896	0.955	23.282	-0.023	-0.023	0.000	0.000	0.000	0.000
186	A	207	GLU	-1	-0.788	-0.901	25.195	0.003	0.003	0.000	0.000	0.000	0.000
187	A	208	ASP	-1	-0.811	-0.921	24.286	-0.042	-0.042	0.000	0.000	0.000	0.000
188	A	209	SER	0	-0.054	-0.023	23.083	-0.003	-0.003	0.000	0.000	0.000	0.000
189	A	210	ILE	0	0.017	0.006	25.031	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	211	HIS	0	0.023	0.003	28.638	-0.005	-0.005	0.000	0.000	0.000	0.000
191	A	212	VAL	0	0.009	-0.001	25.231	-0.002	-0.002	0.000	0.000	0.000	0.000
192	A	213	GLY	0	0.014	0.011	27.869	-0.002	-0.002	0.000	0.000	0.000	0.000
193	A	214	VAL	0	-0.017	-0.022	28.944	0.000	0.000	0.000	0.000	0.000	0.000
194	A	215	ARG	1	0.799	0.863	31.591	0.037	0.037	0.000	0.000	0.000	0.000
195	A	216	CYS	0	-0.019	0.005	28.269	-0.003	-0.003	0.000	0.000	0.000	0.000
196	A	217	ILE	0	0.028	0.006	31.826	0.001	0.001	0.000	0.000	0.000	0.000
197	A	218	GLU	-1	-0.791	-0.860	34.193	-0.035	-0.035	0.000	0.000	0.000	0.000
198	A	219	MET	0	0.054	0.028	32.228	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	220	LEU	0	0.003	0.007	33.948	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	221	ILE	0	-0.039	-0.015	36.668	0.001	0.001	0.000	0.000	0.000	0.000
201	A	222	GLU	-1	-0.839	-0.880	39.589	-0.041	-0.041	0.000	0.000	0.000	0.000
202	A	223	SER	0	-0.055	-0.040	38.030	0.000	0.000	0.000	0.000	0.000	0.000
203	A	224	THR	0	-0.101	-0.067	38.881	0.000	0.000	0.000	0.000	0.000	0.000
204	A	225	GLY	0	0.076	0.041	41.391	0.001	0.001	0.000	0.000	0.000	0.000
205	A	226	MET	0	-0.068	-0.025	34.741	0.001	0.001	0.000	0.000	0.000	0.000
206	A	227	VAL	0	-0.022	-0.028	36.755	0.002	0.002	0.000	0.000	0.000	0.000
207	A	228	SER	0	0.031	0.018	40.015	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	229	LEU	0	-0.033	-0.018	38.216	0.001	0.001	0.000	0.000	0.000	0.000
209	A	230	HIS	0	0.035	0.011	41.159	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	231	ARG	1	0.812	0.893	42.490	0.003	0.003	0.000	0.000	0.000	0.000
211	A	232	GLN	0	0.012	0.006	42.754	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	233	ASN	0	-0.031	-0.035	44.360	0.000	0.000	0.000	0.000	0.000	0.000
213	A	234	ALA	0	0.006	0.004	47.182	0.001	0.001	0.000	0.000	0.000	0.000
214	A	235	GLY	0	0.018	0.009	47.620	0.000	0.000	0.000	0.000	0.000	0.000
215	A	236	VAL	0	-0.005	0.001	47.138	0.001	0.001	0.000	0.000	0.000	0.000
216	A	237	VAL	0	0.015	-0.007	44.863	0.001	0.001	0.000	0.000	0.000	0.000
217	A	238	GLY	0	-0.001	0.010	43.050	0.001	0.001	0.000	0.000	0.000	0.000
218	A	239	GLN	0	-0.034	-0.030	42.773	0.001	0.001	0.000	0.000	0.000	0.000
219	A	240	ASP	-1	-0.826	-0.845	43.218	0.002	0.002	0.000	0.000	0.000	0.000
220	A	241	SER	0	-0.026	-0.021	39.670	0.001	0.001	0.000	0.000	0.000	0.000
221	A	242	GLU	-1	-0.878	-0.953	38.832	-0.008	-0.008	0.000	0.000	0.000	0.000
222	A	243	THR	0	-0.070	-0.039	37.858	0.001	0.001	0.000	0.000	0.000	0.000
223	A	244	ILE	0	0.014	0.010	34.565	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	245	GLU	-1	-0.774	-0.862	37.709	0.002	0.002	0.000	0.000	0.000	0.000
225	A	246	LEU	0	0.000	0.001	38.383	-0.003	-0.003	0.000	0.000	0.000	0.000
226	A	247	ALA	0	0.031	0.028	40.844	0.002	0.002	0.000	0.000	0.000	0.000
227	A	248	PRO	0	0.052	0.014	44.015	0.000	0.000	0.000	0.000	0.000	0.000
228	A	249	GLU	-1	-0.843	-0.922	46.334	-0.018	-0.018	0.000	0.000	0.000	0.000
229	A	250	TYR	0	-0.010	-0.013	41.373	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	251	ALA	0	-0.001	0.002	42.596	0.000	0.000	0.000	0.000	0.000	0.000
231	A	252	GLU	-1	-0.814	-0.893	43.596	-0.010	-0.010	0.000	0.000	0.000	0.000
232	A	253	ALA	0	-0.063	-0.030	44.363	0.000	0.000	0.000	0.000	0.000	0.000
233	A	254	ILE	0	-0.038	-0.039	38.695	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	255	ALA	0	0.014	0.012	42.380	0.001	0.001	0.000	0.000	0.000	0.000
235	A	256	THR	0	0.012	0.000	44.471	0.001	0.001	0.000	0.000	0.000	0.000
236	A	257	ARG	1	0.916	0.971	44.442	0.022	0.022	0.000	0.000	0.000	0.000
237	A	258	ALA	0	0.040	0.019	43.692	0.001	0.001	0.000	0.000	0.000	0.000
238	A	259	GLY	0	0.029	0.015	39.579	-0.002	-0.002	0.000	0.000	0.000	0.000
239	A	260	ALA	0	0.002	0.009	39.444	-0.003	-0.003	0.000	0.000	0.000	0.000
240	A	261	LEU	0	0.071	0.012	34.211	-0.003	-0.003	0.000	0.000	0.000	0.000
241	A	262	ALA	0	-0.036	-0.015	34.540	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	263	GLY	0	0.015	0.012	32.982	-0.003	-0.003	0.000	0.000	0.000	0.000
243	A	264	ILE	0	-0.062	-0.030	31.219	-0.007	-0.007	0.000	0.000	0.000	0.000
244	A	265	SER	0	0.008	-0.008	27.880	0.002	0.002	0.000	0.000	0.000	0.000
245	A	266	PRO	0	0.030	0.008	26.266	-0.003	-0.003	0.000	0.000	0.000	0.000
246	A	267	MET	0	-0.039	0.003	22.173	-0.010	-0.010	0.000	0.000	0.000	0.000
247	A	268	PHE	0	0.003	0.025	17.714	-0.008	-0.008	0.000	0.000	0.000	0.000
248	A	269	GLN	0	0.059	0.037	22.129	0.012	0.012	0.000	0.000	0.000	0.000
249	A	270	PRO	0	0.030	0.021	22.495	0.004	0.004	0.000	0.000	0.000	0.000
250	A	271	CYS	0	-0.055	0.009	20.249	-0.012	-0.012	0.000	0.000	0.000	0.000
251	A	272	VAL	0	0.029	-0.001	22.702	0.009	0.009	0.000	0.000	0.000	0.000
252	A	273	VAL	0	-0.029	-0.020	20.038	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	274	PRO	0	-0.004	0.013	20.211	0.000	0.000	0.000	0.000	0.000	0.000
254	A	275	PRO	0	0.001	0.013	17.749	-0.012	-0.012	0.000	0.000	0.000	0.000
255	A	276	LYS	1	0.849	0.942	8.981	0.126	0.126	0.000	0.000	0.000	0.000
256	A	277	PRO	0	0.028	0.022	13.253	0.016	0.016	0.000	0.000	0.000	0.000
257	A	278	TRP	0	-0.040	-0.025	10.856	0.048	0.048	0.000	0.000	0.000	0.000
258	A	279	THR	0	0.016	0.000	9.071	-0.022	-0.022	0.000	0.000	0.000	0.000
259	A	280	GLY	0	0.036	0.018	7.939	0.131	0.131	0.000	0.000	0.000	0.000
260	A	281	ILE	0	0.019	0.023	6.844	-0.121	-0.121	0.000	0.000	0.000	0.000
261	A	282	THR	0	-0.053	-0.051	5.588	-0.066	-0.066	0.000	0.000	0.000	0.000
262	A	283	GLY	0	-0.012	0.002	7.412	0.049	0.049	0.000	0.000	0.000	0.000
263	A	284	GLY	0	0.042	0.037	8.304	-0.080	-0.080	0.000	0.000	0.000	0.000
264	A	285	GLY	0	0.014	-0.011	11.639	-0.032	-0.032	0.000	0.000	0.000	0.000
265	A	286	TYR	0	-0.106	-0.073	14.416	-0.017	-0.017	0.000	0.000	0.000	0.000
266	A	287	TRP	0	-0.010	-0.048	12.918	-0.007	-0.007	0.000	0.000	0.000	0.000
267	A	288	ALA	0	-0.082	-0.030	12.520	-0.054	-0.054	0.000	0.000	0.000	0.000
268	A	289	ASN	0	-0.060	-0.047	8.836	0.093	0.093	0.000	0.000	0.000	0.000
269	A	290	GLY	0	-0.058	-0.021	11.526	-0.023	-0.023	0.000	0.000	0.000	0.000
270	A	291	ARG	1	0.824	0.889	12.838	0.159	0.159	0.000	0.000	0.000	0.000
271	A	292	ARG	1	0.744	0.865	11.835	-0.023	-0.023	0.000	0.000	0.000	0.000
272	A	293	PRO	0	-0.041	-0.010	7.770	0.018	0.018	0.000	0.000	0.000	0.000
273	A	294	LEU	0	-0.006	-0.001	10.743	0.026	0.026	0.000	0.000	0.000	0.000
274	A	295	ALA	0	0.035	-0.003	10.426	0.054	0.054	0.000	0.000	0.000	0.000
275	A	296	LEU	0	-0.001	0.016	11.713	-0.043	-0.043	0.000	0.000	0.000	0.000
276	A	297	VAL	0	-0.007	-0.002	13.496	-0.031	-0.031	0.000	0.000	0.000	0.000
277	A	298	ARG	1	0.833	0.904	15.633	-0.094	-0.094	0.000	0.000	0.000	0.000
278	A	299	THR	0	-0.012	-0.007	16.509	-0.012	-0.012	0.000	0.000	0.000	0.000
279	A	300	HIS	0	-0.046	-0.040	18.636	-0.015	-0.015	0.000	0.000	0.000	0.000
280	A	301	SER	0	0.023	-0.011	18.252	-0.008	-0.008	0.000	0.000	0.000	0.000
281	A	302	LYS	1	0.824	0.884	9.300	-0.368	-0.368	0.000	0.000	0.000	0.000
282	A	303	LYS	1	0.854	0.916	13.974	-0.087	-0.087	0.000	0.000	0.000	0.000
283	A	304	ALA	0	0.020	0.011	16.078	0.021	0.021	0.000	0.000	0.000	0.000
284	A	305	LEU	0	-0.023	0.000	10.799	0.009	0.009	0.000	0.000	0.000	0.000
285	A	306	MET	0	0.057	0.025	8.043	-0.014	-0.014	0.000	0.000	0.000	0.000
286	A	307	ARG	1	0.832	0.922	12.170	-0.167	-0.167	0.000	0.000	0.000	0.000
287	A	308	TYR	0	-0.006	-0.034	12.861	-0.009	-0.009	0.000	0.000	0.000	0.000
288	A	309	GLU	-1	-1.007	-1.001	6.448	1.115	1.115	0.000	0.000	0.000	0.000
289	A	310	ASP	-1	-0.893	-0.941	9.765	0.945	0.945	0.000	0.000	0.000	0.000
290	A	311	VAL	0	-0.074	-0.034	11.926	-0.056	-0.056	0.000	0.000	0.000	0.000
291	A	312	TYR	0	-0.004	0.003	13.816	-0.030	-0.030	0.000	0.000	0.000	0.000
292	A	313	MET	0	0.044	0.032	14.910	-0.050	-0.050	0.000	0.000	0.000	0.000
293	A	314	PRO	0	0.005	-0.002	17.073	-0.010	-0.010	0.000	0.000	0.000	0.000
294	A	315	GLU	-1	-0.779	-0.898	18.074	0.197	0.197	0.000	0.000	0.000	0.000
295	A	316	VAL	0	0.007	0.008	18.179	-0.018	-0.018	0.000	0.000	0.000	0.000
296	A	317	TYR	0	-0.011	-0.013	12.006	-0.007	-0.007	0.000	0.000	0.000	0.000
297	A	318	LYS	1	0.784	0.895	16.909	-0.205	-0.205	0.000	0.000	0.000	0.000
298	A	319	ALA	0	0.034	0.022	19.723	-0.020	-0.020	0.000	0.000	0.000	0.000
299	A	320	ILE	0	-0.023	-0.013	17.017	-0.020	-0.020	0.000	0.000	0.000	0.000
300	A	321	ASN	0	-0.004	-0.014	15.130	-0.040	-0.040	0.000	0.000	0.000	0.000
301	A	322	ILE	0	0.003	0.016	19.207	-0.020	-0.020	0.000	0.000	0.000	0.000
302	A	323	ALA	0	-0.001	0.001	22.484	-0.016	-0.016	0.000	0.000	0.000	0.000
303	A	324	GLN	0	-0.020	-0.020	15.815	-0.016	-0.016	0.000	0.000	0.000	0.000
304	A	325	ASN	0	-0.003	-0.012	21.347	-0.024	-0.024	0.000	0.000	0.000	0.000
305	A	326	THR	0	-0.031	0.006	22.810	-0.011	-0.011	0.000	0.000	0.000	0.000
306	A	327	ALA	0	-0.030	0.003	25.987	-0.005	-0.005	0.000	0.000	0.000	0.000
307	A	328	TRP	0	0.033	-0.004	27.518	0.000	0.000	0.000	0.000	0.000	0.000
308	A	329	LYS	1	0.786	0.884	30.165	-0.022	-0.022	0.000	0.000	0.000	0.000
309	A	330	ILE	0	0.041	0.031	31.889	0.003	0.003	0.000	0.000	0.000	0.000
310	A	331	ASN	0	-0.007	-0.002	34.916	-0.003	-0.003	0.000	0.000	0.000	0.000
311	A	332	LYS	1	0.891	0.932	38.436	0.011	0.011	0.000	0.000	0.000	0.000
312	A	333	LYS	1	0.793	0.900	40.559	-0.011	-0.011	0.000	0.000	0.000	0.000
313	A	334	VAL	0	0.062	0.038	40.863	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	335	LEU	0	-0.014	-0.015	37.704	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	336	ALA	0	-0.047	-0.020	41.194	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	337	VAL	0	0.021	0.026	44.654	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	338	ALA	0	0.023	0.010	41.318	0.000	0.000	0.000	0.000	0.000	0.000
318	A	339	ASN	0	-0.019	-0.020	41.032	0.000	0.000	0.000	0.000	0.000	0.000
319	A	340	VAL	0	-0.046	-0.004	43.603	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	341	ILE	0	0.055	0.013	46.760	0.000	0.000	0.000	0.000	0.000	0.000
321	A	342	THR	0	-0.033	-0.020	42.667	0.000	0.000	0.000	0.000	0.000	0.000
322	A	343	LYS	1	0.782	0.892	42.633	0.011	0.011	0.000	0.000	0.000	0.000
323	A	344	TRP	0	-0.009	0.009	47.483	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	345	LYS	1	0.819	0.894	50.453	0.008	0.008	0.000	0.000	0.000	0.000
325	A	346	HIS	0	0.020	0.018	53.055	0.000	0.000	0.000	0.000	0.000	0.000
326	A	347	CYS	0	-0.068	-0.009	47.986	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	348	PRO	0	0.024	0.009	50.462	0.001	0.001	0.000	0.000	0.000	0.000
328	A	349	VAL	0	0.043	0.017	45.245	0.001	0.001	0.000	0.000	0.000	0.000
329	A	350	GLU	-1	-0.878	-0.944	47.975	0.011	0.011	0.000	0.000	0.000	0.000
330	A	351	ASP	-1	-0.848	-0.891	42.676	0.015	0.015	0.000	0.000	0.000	0.000
331	A	352	ILE	0	-0.054	-0.034	43.200	0.000	0.000	0.000	0.000	0.000	0.000
332	A	353	PRO	0	-0.056	-0.018	41.797	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	354	ALA	0	0.055	0.025	45.118	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	355	ILE	0	-0.014	-0.006	47.149	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	356	GLU	-1	-0.809	-0.906	48.593	-0.007	-0.007	0.000	0.000	0.000	0.000
336	A	357	ARG	1	0.776	0.860	49.648	0.008	0.008	0.000	0.000	0.000	0.000
337	A	358	GLU	-1	-0.849	-0.917	49.742	0.003	0.003	0.000	0.000	0.000	0.000
338	A	359	GLU	-1	-0.844	-0.919	52.999	-0.005	-0.005	0.000	0.000	0.000	0.000
339	A	360	LEU	0	-0.041	-0.017	52.935	0.001	0.001	0.000	0.000	0.000	0.000
340	A	361	PRO	0	0.000	0.009	56.054	0.000	0.000	0.000	0.000	0.000	0.000
341	A	362	MET	0	0.009	0.023	58.983	0.000	0.000	0.000	0.000	0.000	0.000
342	A	363	LYS	1	0.910	0.958	58.789	0.002	0.002	0.000	0.000	0.000	0.000
343	A	364	PRO	0	-0.005	-0.018	63.747	0.000	0.000	0.000	0.000	0.000	0.000
344	A	365	GLU	-1	-0.852	-0.928	66.666	-0.001	-0.001	0.000	0.000	0.000	0.000
345	A	366	ASP	-1	-0.881	-0.929	68.637	0.001	0.001	0.000	0.000	0.000	0.000
346	A	367	ILE	0	-0.101	-0.077	64.119	0.001	0.001	0.000	0.000	0.000	0.000
347	A	368	ASP	-1	-0.922	-0.958	66.069	0.001	0.001	0.000	0.000	0.000	0.000
348	A	369	MET	0	-0.026	0.000	68.433	0.001	0.001	0.000	0.000	0.000	0.000
349	A	370	ASN	0	-0.026	-0.025	64.406	0.000	0.000	0.000	0.000	0.000	0.000
350	A	371	PRO	0	0.012	0.022	66.997	0.001	0.001	0.000	0.000	0.000	0.000
351	A	372	GLU	-1	-0.838	-0.932	62.030	0.007	0.007	0.000	0.000	0.000	0.000
352	A	373	ALA	0	0.034	0.030	62.488	0.000	0.000	0.000	0.000	0.000	0.000
353	A	374	LEU	0	0.056	0.038	61.548	0.000	0.000	0.000	0.000	0.000	0.000
354	A	375	THR	0	-0.088	-0.065	58.112	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	376	ALA	0	0.029	0.012	57.891	0.000	0.000	0.000	0.000	0.000	0.000
356	A	377	TRP	0	-0.004	-0.008	57.313	0.000	0.000	0.000	0.000	0.000	0.000
357	A	378	LYS	1	0.874	0.932	55.223	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	379	ARG	1	0.791	0.872	53.412	-0.012	-0.012	0.000	0.000	0.000	0.000
359	A	380	ALA	0	0.029	0.013	53.345	0.000	0.000	0.000	0.000	0.000	0.000
360	A	381	ALA	0	0.017	0.005	54.007	0.000	0.000	0.000	0.000	0.000	0.000
361	A	382	ALA	0	-0.006	-0.001	50.022	0.000	0.000	0.000	0.000	0.000	0.000
362	A	383	ALA	0	-0.051	-0.031	49.194	0.001	0.001	0.000	0.000	0.000	0.000
363	A	384	VAL	0	0.031	0.022	49.535	0.000	0.000	0.000	0.000	0.000	0.000
364	A	385	TYR	0	0.006	-0.004	47.797	0.000	0.000	0.000	0.000	0.000	0.000
365	A	386	ARG	1	0.942	0.979	44.493	-0.011	-0.011	0.000	0.000	0.000	0.000
366	A	387	LYS	1	0.962	0.985	44.817	-0.008	-0.008	0.000	0.000	0.000	0.000
367	A	388	ASP	-1	-0.764	-0.867	45.709	-0.003	-0.003	0.000	0.000	0.000	0.000
368	A	389	LYS	1	0.768	0.879	38.693	-0.004	-0.004	0.000	0.000	0.000	0.000
369	A	390	ALA	0	0.029	0.012	41.077	0.000	0.000	0.000	0.000	0.000	0.000
370	A	391	ARG	1	0.761	0.870	41.587	0.002	0.002	0.000	0.000	0.000	0.000
371	A	392	LYS	1	0.858	0.925	41.444	0.004	0.004	0.000	0.000	0.000	0.000
372	A	393	SER	0	0.025	0.016	37.058	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	394	ARG	1	0.835	0.886	37.391	-0.012	-0.012	0.000	0.000	0.000	0.000
374	A	395	ARG	1	0.778	0.875	38.981	0.004	0.004	0.000	0.000	0.000	0.000
375	A	396	ILE	0	-0.005	-0.011	34.832	-0.002	-0.002	0.000	0.000	0.000	0.000
376	A	397	SER	0	-0.005	-0.001	33.742	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	398	LEU	0	0.015	0.013	35.126	0.000	0.000	0.000	0.000	0.000	0.000
378	A	399	GLU	-1	-0.763	-0.882	37.355	-0.011	-0.011	0.000	0.000	0.000	0.000
379	A	400	PHE	0	-0.018	-0.010	30.528	-0.003	-0.003	0.000	0.000	0.000	0.000
380	A	401	MET	0	-0.065	-0.017	30.609	0.000	0.000	0.000	0.000	0.000	0.000
381	A	402	LEU	0	0.020	0.018	34.253	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	403	GLU	-1	-0.845	-0.867	31.667	-0.034	-0.034	0.000	0.000	0.000	0.000
383	A	404	GLN	0	0.027	-0.021	27.460	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	405	ALA	0	0.024	0.010	31.970	0.000	0.000	0.000	0.000	0.000	0.000
385	A	406	ASN	0	-0.057	-0.063	34.409	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	407	LYS	1	0.720	0.849	27.923	0.048	0.048	0.000	0.000	0.000	0.000
387	A	408	PHE	0	0.013	0.002	26.688	-0.004	-0.004	0.000	0.000	0.000	0.000
388	A	409	ALA	0	0.007	0.016	32.123	0.003	0.003	0.000	0.000	0.000	0.000
389	A	410	ASN	0	-0.049	-0.043	34.686	0.005	0.005	0.000	0.000	0.000	0.000
390	A	411	HIS	0	-0.004	0.014	29.036	0.003	0.003	0.000	0.000	0.000	0.000
391	A	412	LYS	1	0.848	0.922	31.253	0.004	0.004	0.000	0.000	0.000	0.000
392	A	413	ALA	0	-0.010	-0.012	28.716	0.006	0.006	0.000	0.000	0.000	0.000
393	A	414	ILE	0	0.005	0.020	26.609	-0.008	-0.008	0.000	0.000	0.000	0.000
394	A	415	TRP	0	0.010	0.007	22.787	0.000	0.000	0.000	0.000	0.000	0.000
395	A	416	PHE	0	0.007	-0.002	23.028	-0.010	-0.010	0.000	0.000	0.000	0.000
396	A	417	PRO	0	0.039	0.029	17.660	0.012	0.012	0.000	0.000	0.000	0.000
397	A	418	TYR	0	-0.011	-0.009	18.360	-0.007	-0.007	0.000	0.000	0.000	0.000
398	A	419	ASN	0	-0.034	-0.020	15.373	0.001	0.001	0.000	0.000	0.000	0.000
399	A	420	MET	0	0.038	0.049	17.252	-0.012	-0.012	0.000	0.000	0.000	0.000
400	A	421	ASP	-1	-0.785	-0.868	19.066	0.118	0.118	0.000	0.000	0.000	0.000
401	A	422	TRP	0	0.017	-0.018	20.216	0.007	0.007	0.000	0.000	0.000	0.000
402	A	423	ARG	1	0.828	0.933	21.219	-0.100	-0.100	0.000	0.000	0.000	0.000
403	A	424	GLY	0	0.038	0.021	21.629	0.005	0.005	0.000	0.000	0.000	0.000
404	A	425	ARG	1	0.716	0.817	22.705	-0.084	-0.084	0.000	0.000	0.000	0.000
405	A	426	VAL	0	0.012	0.005	22.045	0.009	0.009	0.000	0.000	0.000	0.000
406	A	427	TYR	0	-0.071	-0.044	22.025	-0.016	-0.016	0.000	0.000	0.000	0.000
407	A	428	ALA	0	0.034	0.029	21.462	0.009	0.009	0.000	0.000	0.000	0.000
408	A	429	VAL	0	-0.030	-0.028	17.856	0.003	0.003	0.000	0.000	0.000	0.000
409	A	430	SER	0	-0.022	-0.014	21.199	-0.006	-0.006	0.000	0.000	0.000	0.000
410	A	431	MET	0	-0.020	-0.006	23.725	0.004	0.004	0.000	0.000	0.000	0.000
411	A	432	PHE	0	0.027	0.017	26.838	0.003	0.003	0.000	0.000	0.000	0.000
412	A	433	ASN	0	0.001	-0.012	26.288	0.004	0.004	0.000	0.000	0.000	0.000
413	A	434	PRO	0	0.043	0.006	27.447	-0.001	-0.001	0.000	0.000	0.000	0.000
414	A	435	GLN	0	-0.038	-0.043	26.399	0.000	0.000	0.000	0.000	0.000	0.000
415	A	436	GLY	0	0.007	0.022	30.328	0.000	0.000	0.000	0.000	0.000	0.000
416	A	437	ASN	0	0.054	0.032	32.535	0.001	0.001	0.000	0.000	0.000	0.000
417	A	438	ASP	-1	-0.649	-0.827	36.307	0.019	0.019	0.000	0.000	0.000	0.000
418	A	439	MET	0	0.021	0.025	37.992	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	440	THR	0	-0.070	-0.059	32.197	-0.002	-0.002	0.000	0.000	0.000	0.000
420	A	441	LYS	1	0.891	0.953	33.830	-0.035	-0.035	0.000	0.000	0.000	0.000
421	A	442	GLY	0	0.076	0.045	35.746	0.000	0.000	0.000	0.000	0.000	0.000
422	A	443	LEU	0	-0.055	-0.031	36.164	-0.002	-0.002	0.000	0.000	0.000	0.000
423	A	444	LEU	0	-0.048	-0.011	31.117	-0.003	-0.003	0.000	0.000	0.000	0.000
424	A	445	THR	0	0.033	0.002	34.361	0.002	0.002	0.000	0.000	0.000	0.000
425	A	446	LEU	0	0.010	0.031	31.097	-0.002	-0.002	0.000	0.000	0.000	0.000
426	A	447	ALA	0	-0.038	-0.029	30.890	-0.004	-0.004	0.000	0.000	0.000	0.000
427	A	448	LYS	1	0.837	0.909	27.458	-0.059	-0.059	0.000	0.000	0.000	0.000
428	A	449	GLY	0	0.037	0.000	33.652	0.003	0.003	0.000	0.000	0.000	0.000
429	A	450	LYS	1	0.808	0.904	35.280	-0.050	-0.050	0.000	0.000	0.000	0.000
430	A	451	PRO	0	-0.019	-0.013	39.856	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	452	ILE	0	-0.032	0.009	43.645	0.002	0.002	0.000	0.000	0.000	0.000
432	A	453	GLY	0	0.060	0.022	44.694	0.002	0.002	0.000	0.000	0.000	0.000
433	A	454	LYS	1	0.868	0.907	47.399	-0.032	-0.032	0.000	0.000	0.000	0.000
434	A	455	GLU	-1	-0.805	-0.894	45.283	0.034	0.034	0.000	0.000	0.000	0.000
435	A	456	GLY	0	0.074	0.042	44.120	0.001	0.001	0.000	0.000	0.000	0.000
436	A	457	TYR	0	-0.047	-0.049	44.851	0.000	0.000	0.000	0.000	0.000	0.000
437	A	458	TYR	0	0.011	0.001	47.592	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	459	TRP	0	0.099	0.025	43.534	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	460	LEU	0	-0.049	-0.018	43.823	0.000	0.000	0.000	0.000	0.000	0.000
440	A	461	LYS	1	0.844	0.916	45.490	-0.023	-0.023	0.000	0.000	0.000	0.000
441	A	462	ILE	0	-0.006	0.015	45.386	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	463	HIS	0	0.016	0.014	39.716	0.002	0.002	0.000	0.000	0.000	0.000
443	A	464	GLY	0	0.044	0.004	44.385	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	465	ALA	0	0.009	-0.010	47.011	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	466	ASN	0	-0.012	-0.007	42.706	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	467	CYS	0	-0.077	-0.020	43.130	0.000	0.000	0.000	0.000	0.000	0.000
447	A	468	ALA	0	0.031	0.021	45.034	-0.002	-0.002	0.000	0.000	0.000	0.000
448	A	469	GLY	0	0.030	0.016	47.798	0.001	0.001	0.000	0.000	0.000	0.000
449	A	470	VAL	0	-0.080	-0.036	49.309	0.000	0.000	0.000	0.000	0.000	0.000
450	A	471	ASP	-1	-0.699	-0.847	45.834	0.033	0.033	0.000	0.000	0.000	0.000
451	A	472	LYS	1	0.735	0.840	47.101	-0.029	-0.029	0.000	0.000	0.000	0.000
452	A	473	VAL	0	0.036	0.035	50.025	0.000	0.000	0.000	0.000	0.000	0.000
453	A	474	PRO	0	0.067	0.035	51.024	0.002	0.002	0.000	0.000	0.000	0.000
454	A	475	PHE	0	-0.006	-0.009	45.663	-0.002	-0.002	0.000	0.000	0.000	0.000
455	A	476	PRO	0	0.015	0.000	51.321	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	477	GLU	-1	-0.871	-0.947	54.774	0.024	0.024	0.000	0.000	0.000	0.000
457	A	478	ARG	1	0.802	0.912	46.230	-0.035	-0.035	0.000	0.000	0.000	0.000
458	A	479	ILE	0	-0.040	-0.012	50.436	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	480	LYS	1	0.853	0.914	53.419	-0.020	-0.020	0.000	0.000	0.000	0.000
460	A	481	PHE	0	0.049	0.027	51.602	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	482	ILE	0	0.005	0.004	50.488	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	483	GLU	-1	-0.864	-0.930	54.001	0.020	0.020	0.000	0.000	0.000	0.000
463	A	484	GLU	-1	-0.909	-0.934	56.944	0.017	0.017	0.000	0.000	0.000	0.000
464	A	485	ASN	0	-0.030	-0.013	55.671	-0.002	-0.002	0.000	0.000	0.000	0.000
465	A	486	HIS	0	0.026	0.043	55.895	0.000	0.000	0.000	0.000	0.000	0.000
466	A	487	GLU	-1	-0.850	-0.942	56.390	0.011	0.011	0.000	0.000	0.000	0.000
467	A	488	ASN	0	-0.009	-0.001	56.702	-0.002	-0.002	0.000	0.000	0.000	0.000
468	A	489	ILE	0	0.034	0.014	51.087	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	490	MET	0	-0.059	-0.023	52.854	0.000	0.000	0.000	0.000	0.000	0.000
470	A	491	ALA	0	0.021	0.013	54.729	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	492	CYS	0	-0.071	-0.017	51.426	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	493	ALA	0	-0.043	-0.024	50.237	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	494	LYS	1	0.883	0.952	51.222	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	495	SER	0	-0.031	-0.021	54.120	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	496	PRO	0	0.038	0.036	49.359	0.000	0.000	0.000	0.000	0.000	0.000
476	A	497	LEU	0	-0.049	-0.032	49.610	0.000	0.000	0.000	0.000	0.000	0.000
477	A	498	GLU	-1	-0.879	-0.932	53.060	0.001	0.001	0.000	0.000	0.000	0.000
478	A	499	ASN	0	-0.025	-0.017	55.715	0.001	0.001	0.000	0.000	0.000	0.000
479	A	500	THR	0	-0.002	-0.023	53.070	0.001	0.001	0.000	0.000	0.000	0.000
480	A	501	TRP	0	0.066	0.033	53.036	0.001	0.001	0.000	0.000	0.000	0.000
481	A	502	TRP	0	0.001	-0.034	46.178	0.001	0.001	0.000	0.000	0.000	0.000
482	A	503	ALA	0	-0.080	-0.048	48.817	0.001	0.001	0.000	0.000	0.000	0.000
483	A	504	GLU	-1	-0.898	-0.953	49.764	0.010	0.010	0.000	0.000	0.000	0.000
484	A	505	GLN	0	-0.075	-0.034	48.610	0.002	0.002	0.000	0.000	0.000	0.000
485	A	506	ASP	-1	-0.903	-0.943	44.813	0.026	0.026	0.000	0.000	0.000	0.000
486	A	507	SER	0	-0.037	-0.017	42.204	0.001	0.001	0.000	0.000	0.000	0.000
487	A	508	PRO	0	0.032	0.040	44.083	0.000	0.000	0.000	0.000	0.000	0.000
488	A	509	PHE	0	-0.008	-0.037	41.459	-0.002	-0.002	0.000	0.000	0.000	0.000
489	A	510	CYS	0	-0.086	-0.056	39.589	0.000	0.000	0.000	0.000	0.000	0.000
490	A	511	PHE	0	0.050	0.030	41.910	0.000	0.000	0.000	0.000	0.000	0.000
491	A	512	LEU	0	0.016	0.016	45.021	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	513	ALA	0	-0.032	-0.024	41.245	-0.001	-0.001	0.000	0.000	0.000	0.000
493	A	514	PHE	0	-0.004	0.010	43.310	0.000	0.000	0.000	0.000	0.000	0.000
494	A	515	CYS	0	-0.030	-0.006	45.213	0.000	0.000	0.000	0.000	0.000	0.000
495	A	516	PHE	0	0.009	-0.013	44.667	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	517	GLU	-1	-0.818	-0.868	42.390	0.012	0.012	0.000	0.000	0.000	0.000
497	A	518	TYR	0	-0.010	-0.017	45.817	0.001	0.001	0.000	0.000	0.000	0.000
498	A	519	ALA	0	0.063	0.013	48.983	0.000	0.000	0.000	0.000	0.000	0.000
499	A	520	GLY	0	-0.009	0.013	47.713	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	521	VAL	0	-0.002	-0.010	47.698	0.000	0.000	0.000	0.000	0.000	0.000
501	A	522	GLN	0	-0.002	0.006	50.013	0.001	0.001	0.000	0.000	0.000	0.000
502	A	523	HIS	0	-0.065	-0.026	52.128	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	524	HIS	0	-0.077	-0.042	49.757	-0.002	-0.002	0.000	0.000	0.000	0.000
504	A	525	GLY	0	0.048	0.041	51.610	0.001	0.001	0.000	0.000	0.000	0.000
505	A	526	LEU	0	-0.021	-0.030	49.568	0.000	0.000	0.000	0.000	0.000	0.000
506	A	527	SER	0	-0.041	-0.015	48.041	0.001	0.001	0.000	0.000	0.000	0.000
507	A	528	TYR	0	-0.027	-0.033	44.482	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	529	ASN	0	-0.004	-0.004	39.233	0.004	0.004	0.000	0.000	0.000	0.000
509	A	530	CYS	0	-0.022	0.017	41.430	-0.002	-0.002	0.000	0.000	0.000	0.000
510	A	531	SER	0	0.033	-0.020	36.158	0.001	0.001	0.000	0.000	0.000	0.000
511	A	532	LEU	0	0.037	0.021	36.738	0.001	0.001	0.000	0.000	0.000	0.000
512	A	533	PRO	0	-0.037	-0.018	34.493	0.002	0.002	0.000	0.000	0.000	0.000
513	A	534	LEU	0	-0.034	-0.008	36.620	-0.002	-0.002	0.000	0.000	0.000	0.000
514	A	535	ALA	0	-0.007	-0.006	37.537	0.003	0.003	0.000	0.000	0.000	0.000
515	A	536	PHE	0	-0.047	-0.016	37.547	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	537	ASP	-1	-0.787	-0.879	37.099	0.052	0.052	0.000	0.000	0.000	0.000
517	A	538	GLY	0	-0.004	0.000	37.358	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	539	SER	0	-0.010	0.004	38.855	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	540	CYS	0	-0.096	-0.053	40.706	-0.003	-0.003	0.000	0.000	0.000	0.000
520	A	541	SER	0	0.057	0.022	34.354	0.003	0.003	0.000	0.000	0.000	0.000
521	A	542	GLY	0	0.025	0.019	35.820	-0.002	-0.002	0.000	0.000	0.000	0.000
522	A	543	ILE	0	0.016	-0.004	36.649	0.002	0.002	0.000	0.000	0.000	0.000
523	A	544	GLN	0	0.005	0.001	38.543	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	545	HIS	0	0.060	0.047	33.442	0.001	0.001	0.000	0.000	0.000	0.000
525	A	546	PHE	0	0.021	-0.004	37.209	0.002	0.002	0.000	0.000	0.000	0.000
526	A	547	SER	0	-0.011	-0.024	39.400	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	548	ALA	0	0.009	0.019	38.585	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	549	MET	0	-0.024	-0.007	34.876	0.001	0.001	0.000	0.000	0.000	0.000
529	A	550	LEU	0	-0.037	-0.021	38.870	0.001	0.001	0.000	0.000	0.000	0.000
530	A	551	ARG	1	0.907	0.950	40.242	-0.079	-0.079	0.000	0.000	0.000	0.000
531	A	552	ASP	-1	-0.803	-0.888	44.213	0.050	0.050	0.000	0.000	0.000	0.000
532	A	553	GLU	-1	-0.787	-0.895	46.483	0.051	0.051	0.000	0.000	0.000	0.000
533	A	554	VAL	0	-0.041	-0.012	49.038	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	555	GLY	0	0.028	0.000	46.540	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	556	GLY	0	0.012	-0.006	45.043	0.000	0.000	0.000	0.000	0.000	0.000
536	A	557	ARG	1	0.862	0.929	46.067	-0.039	-0.039	0.000	0.000	0.000	0.000
537	A	558	ALA	0	-0.003	0.006	47.866	-0.003	-0.003	0.000	0.000	0.000	0.000
538	A	559	VAL	0	-0.079	-0.041	42.751	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	560	ASN	0	0.018	-0.009	44.660	-0.003	-0.003	0.000	0.000	0.000	0.000
540	A	561	LEU	0	-0.002	0.012	41.097	0.000	0.000	0.000	0.000	0.000	0.000
541	A	562	LEU	0	0.024	0.019	44.963	0.001	0.001	0.000	0.000	0.000	0.000
542	A	563	PRO	0	0.000	0.011	48.560	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	564	SER	0	-0.044	-0.031	50.408	-0.002	-0.002	0.000	0.000	0.000	0.000
544	A	565	GLU	-1	-0.923	-0.959	52.732	0.031	0.031	0.000	0.000	0.000	0.000
545	A	566	THR	0	-0.012	-0.012	53.912	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	567	VAL	0	-0.006	0.019	47.964	0.002	0.002	0.000	0.000	0.000	0.000
547	A	568	GLN	0	-0.033	0.002	49.174	-0.002	-0.002	0.000	0.000	0.000	0.000
548	A	569	ASP	-1	-0.732	-0.859	48.162	0.037	0.037	0.000	0.000	0.000	0.000
549	A	570	ILE	0	0.072	0.030	45.124	-0.002	-0.002	0.000	0.000	0.000	0.000
550	A	571	TYR	0	0.071	0.020	42.194	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	572	GLY	0	0.019	0.005	49.093	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	573	ILE	0	-0.027	-0.010	50.921	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	574	VAL	0	0.042	0.019	49.254	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	575	ALA	0	-0.017	-0.004	52.529	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	576	LYS	1	0.961	0.989	54.594	-0.031	-0.031	0.000	0.000	0.000	0.000
556	A	577	LYS	1	0.877	0.935	54.697	-0.033	-0.033	0.000	0.000	0.000	0.000
557	A	578	VAL	0	0.025	0.017	53.967	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	579	ASN	0	-0.049	-0.046	57.007	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	580	GLU	-1	-0.864	-0.919	59.716	0.028	0.028	0.000	0.000	0.000	0.000
560	A	581	ILE	0	0.010	0.008	57.574	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	582	LEU	0	-0.035	-0.012	59.272	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	583	GLN	0	-0.013	-0.008	62.659	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	584	ALA	0	0.011	0.011	64.650	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	585	ASP	-1	-0.751	-0.839	62.987	0.022	0.022	0.000	0.000	0.000	0.000
565	A	586	ALA	0	-0.021	-0.007	66.131	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	587	ILE	0	-0.043	-0.007	68.224	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	588	ASN	0	-0.078	-0.040	69.641	0.000	0.000	0.000	0.000	0.000	0.000
568	A	589	GLY	0	0.096	0.050	67.166	0.000	0.000	0.000	0.000	0.000	0.000
569	A	590	THR	0	-0.076	-0.023	65.863	0.000	0.000	0.000	0.000	0.000	0.000
570	A	591	ASP	-1	-0.854	-0.934	68.400	0.016	0.016	0.000	0.000	0.000	0.000
571	A	592	ASN	0	-0.078	-0.063	68.771	0.001	0.001	0.000	0.000	0.000	0.000
572	A	593	GLU	-1	-0.896	-0.933	68.563	0.016	0.016	0.000	0.000	0.000	0.000
573	A	594	VAL	0	-0.006	-0.012	69.823	0.000	0.000	0.000	0.000	0.000	0.000
574	A	595	VAL	0	-0.046	-0.024	70.003	0.000	0.000	0.000	0.000	0.000	0.000
575	A	596	THR	0	-0.023	-0.007	66.711	0.000	0.000	0.000	0.000	0.000	0.000
576	A	597	VAL	0	-0.017	0.016	68.884	0.000	0.000	0.000	0.000	0.000	0.000
577	A	598	THR	0	-0.070	-0.046	70.534	0.000	0.000	0.000	0.000	0.000	0.000
578	A	599	ASP	-1	-0.858	-0.929	67.683	0.016	0.016	0.000	0.000	0.000	0.000
579	A	600	GLU	-1	-0.891	-0.923	69.892	0.014	0.014	0.000	0.000	0.000	0.000
580	A	601	ASN	0	-0.081	-0.043	71.899	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	602	THR	0	-0.013	-0.030	74.066	0.000	0.000	0.000	0.000	0.000	0.000
582	A	603	GLY	0	0.018	0.005	73.025	0.000	0.000	0.000	0.000	0.000	0.000
583	A	604	GLU	-1	-0.855	-0.882	67.799	0.012	0.012	0.000	0.000	0.000	0.000
584	A	605	ILE	0	-0.023	-0.023	70.261	0.001	0.001	0.000	0.000	0.000	0.000
585	A	606	SER	0	-0.076	-0.073	66.173	0.000	0.000	0.000	0.000	0.000	0.000
586	A	607	GLU	-1	-0.824	-0.925	62.449	0.018	0.018	0.000	0.000	0.000	0.000
587	A	608	LYS	1	0.947	0.980	65.594	-0.012	-0.012	0.000	0.000	0.000	0.000
588	A	609	VAL	0	-0.044	-0.043	65.816	0.000	0.000	0.000	0.000	0.000	0.000
589	A	610	LYS	1	0.904	0.975	64.781	-0.017	-0.017	0.000	0.000	0.000	0.000
590	A	611	LEU	0	-0.058	-0.022	63.110	0.001	0.001	0.000	0.000	0.000	0.000
591	A	612	GLY	0	0.079	0.056	64.452	0.001	0.001	0.000	0.000	0.000	0.000
592	A	613	THR	0	-0.019	-0.061	62.311	0.000	0.000	0.000	0.000	0.000	0.000
593	A	614	LYS	1	0.887	0.972	64.578	-0.017	-0.017	0.000	0.000	0.000	0.000
594	A	615	ALA	0	-0.005	-0.005	67.336	0.000	0.000	0.000	0.000	0.000	0.000
595	A	616	LEU	0	-0.065	-0.025	60.492	0.000	0.000	0.000	0.000	0.000	0.000
596	A	617	ALA	0	0.024	0.005	62.507	0.000	0.000	0.000	0.000	0.000	0.000
597	A	618	GLY	0	0.035	0.020	63.566	0.000	0.000	0.000	0.000	0.000	0.000
598	A	619	GLN	0	-0.037	-0.026	62.569	0.000	0.000	0.000	0.000	0.000	0.000
599	A	620	TRP	0	-0.011	-0.029	54.657	0.000	0.000	0.000	0.000	0.000	0.000
600	A	621	LEU	0	-0.006	0.003	60.917	0.000	0.000	0.000	0.000	0.000	0.000
601	A	622	ALA	0	0.005	0.013	63.448	0.000	0.000	0.000	0.000	0.000	0.000
602	A	623	TYR	0	-0.099	-0.063	55.035	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	624	GLY	0	0.032	0.004	60.226	0.000	0.000	0.000	0.000	0.000	0.000
604	A	625	VAL	0	-0.043	-0.023	55.188	0.001	0.001	0.000	0.000	0.000	0.000
605	A	626	THR	0	0.095	0.057	54.985	0.001	0.001	0.000	0.000	0.000	0.000
606	A	627	ARG	1	0.886	0.894	47.433	-0.032	-0.032	0.000	0.000	0.000	0.000
607	A	628	SER	0	-0.021	-0.005	49.998	0.002	0.002	0.000	0.000	0.000	0.000
608	A	629	VAL	0	-0.004	0.013	49.628	0.000	0.000	0.000	0.000	0.000	0.000
609	A	630	THR	0	0.027	0.021	50.086	0.001	0.001	0.000	0.000	0.000	0.000
610	A	631	LYS	1	0.925	0.973	42.692	-0.039	-0.039	0.000	0.000	0.000	0.000
611	A	632	ARG	1	0.868	0.936	44.573	-0.022	-0.022	0.000	0.000	0.000	0.000
612	A	633	SER	0	0.013	0.008	44.649	0.001	0.001	0.000	0.000	0.000	0.000
613	A	634	VAL	0	-0.017	-0.008	43.853	0.001	0.001	0.000	0.000	0.000	0.000
614	A	635	MET	0	-0.010	-0.015	39.360	0.001	0.001	0.000	0.000	0.000	0.000
615	A	636	THR	0	-0.015	-0.010	40.056	0.002	0.002	0.000	0.000	0.000	0.000
616	A	637	LEU	0	-0.053	-0.023	41.636	0.000	0.000	0.000	0.000	0.000	0.000
617	A	638	ALA	0	-0.043	-0.018	39.540	0.001	0.001	0.000	0.000	0.000	0.000
618	A	639	TYR	0	0.014	0.001	37.165	0.003	0.003	0.000	0.000	0.000	0.000
619	A	640	GLY	0	0.055	0.014	35.827	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	641	SER	0	-0.047	-0.014	35.009	0.003	0.003	0.000	0.000	0.000	0.000
621	A	642	LYS	1	0.883	0.957	36.982	-0.047	-0.047	0.000	0.000	0.000	0.000
622	A	643	GLU	-1	-0.812	-0.889	37.648	0.047	0.047	0.000	0.000	0.000	0.000
623	A	644	PHE	0	-0.062	-0.044	40.097	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	645	GLY	0	0.067	0.029	43.178	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	646	PHE	0	0.026	0.005	45.415	0.000	0.000	0.000	0.000	0.000	0.000
626	A	647	ARG	1	0.954	0.982	46.585	-0.025	-0.025	0.000	0.000	0.000	0.000
627	A	648	GLN	0	-0.045	-0.013	45.511	-0.002	-0.002	0.000	0.000	0.000	0.000
628	A	649	GLN	0	0.078	0.026	41.887	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	650	VAL	0	0.028	0.017	46.843	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	651	LEU	0	-0.007	-0.010	50.028	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	652	GLU	-1	-0.948	-0.977	45.089	0.024	0.024	0.000	0.000	0.000	0.000
632	A	653	ASP	-1	-0.802	-0.889	46.578	0.025	0.025	0.000	0.000	0.000	0.000
633	A	654	THR	0	-0.065	-0.051	48.595	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	655	ILE	0	-0.031	0.001	52.032	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	656	GLN	0	0.007	0.011	51.996	-0.002	-0.002	0.000	0.000	0.000	0.000
636	A	657	PRO	0	0.051	0.029	50.719	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	658	ALA	0	-0.002	0.019	53.555	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	659	ILE	0	-0.006	0.001	56.678	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	660	ASP	-1	-0.866	-0.915	54.267	0.011	0.011	0.000	0.000	0.000	0.000
640	A	661	SER	0	-0.082	-0.056	56.536	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	662	GLY	0	0.000	0.008	58.410	0.000	0.000	0.000	0.000	0.000	0.000
642	A	663	LYS	1	0.874	0.960	59.545	-0.016	-0.016	0.000	0.000	0.000	0.000
643	A	664	GLY	0	0.043	-0.003	59.839	0.000	0.000	0.000	0.000	0.000	0.000
644	A	665	LEU	0	-0.008	-0.014	60.548	0.000	0.000	0.000	0.000	0.000	0.000
645	A	666	MET	0	-0.030	0.012	62.090	0.000	0.000	0.000	0.000	0.000	0.000
646	A	667	PHE	0	-0.016	-0.008	57.981	0.000	0.000	0.000	0.000	0.000	0.000
647	A	668	THR	0	0.017	0.002	61.963	0.000	0.000	0.000	0.000	0.000	0.000
648	A	669	GLN	0	0.009	0.001	62.124	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	670	PRO	0	0.046	0.026	57.057	0.001	0.001	0.000	0.000	0.000	0.000
650	A	671	ASN	0	0.041	0.011	55.117	0.002	0.002	0.000	0.000	0.000	0.000
651	A	672	GLN	0	-0.004	-0.012	56.298	0.001	0.001	0.000	0.000	0.000	0.000
652	A	673	ALA	0	0.054	0.025	58.239	0.001	0.001	0.000	0.000	0.000	0.000
653	A	674	ALA	0	0.019	0.008	52.990	0.001	0.001	0.000	0.000	0.000	0.000
654	A	675	GLY	0	-0.032	-0.034	53.778	0.002	0.002	0.000	0.000	0.000	0.000
655	A	676	TYR	0	-0.023	-0.041	54.771	0.001	0.001	0.000	0.000	0.000	0.000
656	A	677	MET	0	0.015	0.022	53.466	0.001	0.001	0.000	0.000	0.000	0.000
657	A	678	ALA	0	0.004	-0.005	50.416	0.001	0.001	0.000	0.000	0.000	0.000
658	A	679	LYS	1	0.804	0.893	51.369	-0.027	-0.027	0.000	0.000	0.000	0.000
659	A	680	LEU	0	0.049	0.027	53.455	0.001	0.001	0.000	0.000	0.000	0.000
660	A	681	ILE	0	-0.001	0.005	49.044	0.001	0.001	0.000	0.000	0.000	0.000
661	A	682	TRP	0	0.001	0.000	44.389	0.002	0.002	0.000	0.000	0.000	0.000
662	A	683	GLU	-1	-0.808	-0.877	49.950	0.032	0.032	0.000	0.000	0.000	0.000
663	A	684	SER	0	0.018	-0.008	52.619	0.000	0.000	0.000	0.000	0.000	0.000
664	A	685	VAL	0	-0.037	-0.013	46.867	0.001	0.001	0.000	0.000	0.000	0.000
665	A	686	SER	0	-0.023	-0.019	49.112	0.002	0.002	0.000	0.000	0.000	0.000
666	A	687	VAL	0	-0.048	-0.012	50.065	0.001	0.001	0.000	0.000	0.000	0.000
667	A	688	THR	0	-0.077	-0.052	49.640	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	689	VAL	0	-0.028	-0.019	45.312	0.001	0.001	0.000	0.000	0.000	0.000
669	A	690	VAL	0	0.044	0.025	46.362	0.002	0.002	0.000	0.000	0.000	0.000
670	A	691	ALA	0	0.101	0.059	45.621	0.001	0.001	0.000	0.000	0.000	0.000
671	A	692	ALA	0	0.029	0.009	42.089	0.003	0.003	0.000	0.000	0.000	0.000
672	A	693	VAL	0	-0.001	-0.006	42.215	0.002	0.002	0.000	0.000	0.000	0.000
673	A	694	GLU	-1	-0.911	-0.950	44.039	0.057	0.057	0.000	0.000	0.000	0.000
674	A	695	ALA	0	0.047	0.014	39.881	0.002	0.002	0.000	0.000	0.000	0.000
675	A	696	MET	0	-0.063	-0.021	39.061	0.002	0.002	0.000	0.000	0.000	0.000
676	A	697	ASN	0	-0.038	-0.031	39.519	0.002	0.002	0.000	0.000	0.000	0.000
677	A	698	TRP	0	0.064	0.051	37.180	-0.001	-0.001	0.000	0.000	0.000	0.000
678	A	699	LEU	0	0.014	0.009	34.261	0.002	0.002	0.000	0.000	0.000	0.000
679	A	700	LYS	1	0.804	0.881	36.318	-0.058	-0.058	0.000	0.000	0.000	0.000
680	A	701	SER	0	-0.046	-0.030	38.287	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	702	ALA	0	0.083	0.042	35.428	0.000	0.000	0.000	0.000	0.000	0.000
682	A	703	ALA	0	-0.026	-0.010	33.924	0.002	0.002	0.000	0.000	0.000	0.000
683	A	704	LYS	1	0.818	0.900	34.863	-0.059	-0.059	0.000	0.000	0.000	0.000
684	A	705	LEU	0	0.030	0.014	37.597	-0.002	-0.002	0.000	0.000	0.000	0.000
685	A	706	LEU	0	0.011	0.009	30.665	0.000	0.000	0.000	0.000	0.000	0.000
686	A	707	ALA	0	-0.036	-0.026	33.360	0.001	0.001	0.000	0.000	0.000	0.000
687	A	708	ALA	0	-0.018	0.006	34.359	-0.004	-0.004	0.000	0.000	0.000	0.000
688	A	709	GLU	-1	-0.830	-0.923	34.273	0.073	0.073	0.000	0.000	0.000	0.000
689	A	710	VAL	0	-0.027	0.018	37.181	-0.004	-0.004	0.000	0.000	0.000	0.000
690	A	711	LYS	1	0.952	0.963	39.260	-0.046	-0.046	0.000	0.000	0.000	0.000
691	A	712	ASP	-1	-0.765	-0.871	42.282	0.045	0.045	0.000	0.000	0.000	0.000
692	A	713	LYS	1	0.886	0.923	45.792	-0.037	-0.037	0.000	0.000	0.000	0.000
693	A	714	LYS	1	0.882	0.941	47.560	-0.034	-0.034	0.000	0.000	0.000	0.000
694	A	715	THR	0	0.062	0.028	44.441	-0.002	-0.002	0.000	0.000	0.000	0.000
695	A	716	GLY	0	-0.070	-0.022	43.291	0.002	0.002	0.000	0.000	0.000	0.000
696	A	717	GLU	-1	-0.943	-0.974	38.727	0.056	0.056	0.000	0.000	0.000	0.000
697	A	718	ILE	0	-0.057	-0.032	35.126	0.000	0.000	0.000	0.000	0.000	0.000
698	A	719	LEU	0	0.009	0.008	35.328	0.003	0.003	0.000	0.000	0.000	0.000
699	A	720	ARG	1	0.789	0.844	32.323	-0.084	-0.084	0.000	0.000	0.000	0.000
700	A	721	LYS	1	0.924	0.956	30.605	-0.078	-0.078	0.000	0.000	0.000	0.000
701	A	722	ARG	1	0.715	0.848	31.846	-0.060	-0.060	0.000	0.000	0.000	0.000
702	A	723	CYM	-1	-0.738	-0.782	29.120	0.115	0.115	0.000	0.000	0.000	0.000
703	A	724	ALA	0	-0.097	-0.077	25.364	-0.006	-0.006	0.000	0.000	0.000	0.000
704	A	725	VAL	0	0.003	0.010	27.335	0.004	0.004	0.000	0.000	0.000	0.000
705	A	726	HIS	0	-0.021	-0.028	22.264	0.012	0.012	0.000	0.000	0.000	0.000
706	A	727	TRP	0	0.007	-0.015	25.473	-0.010	-0.010	0.000	0.000	0.000	0.000
707	A	728	VAL	0	0.025	0.009	23.147	0.015	0.015	0.000	0.000	0.000	0.000
708	A	729	THR	0	-0.034	-0.008	24.355	-0.015	-0.015	0.000	0.000	0.000	0.000
709	A	730	PRO	0	0.079	0.014	25.392	0.014	0.014	0.000	0.000	0.000	0.000
710	A	731	ASP	-1	-0.800	-0.862	23.687	0.185	0.185	0.000	0.000	0.000	0.000
711	A	732	GLY	0	0.005	0.001	21.679	0.017	0.017	0.000	0.000	0.000	0.000
712	A	733	PHE	0	-0.034	-0.024	18.095	0.024	0.024	0.000	0.000	0.000	0.000
713	A	734	PRO	0	0.022	0.030	18.390	-0.020	-0.020	0.000	0.000	0.000	0.000
714	A	735	VAL	0	0.016	0.014	20.441	0.005	0.005	0.000	0.000	0.000	0.000
715	A	736	TRP	0	0.056	0.025	17.788	-0.005	-0.005	0.000	0.000	0.000	0.000
716	A	737	GLN	0	-0.046	-0.018	23.282	-0.003	-0.003	0.000	0.000	0.000	0.000
717	A	738	GLU	-1	-0.691	-0.827	21.969	0.152	0.152	0.000	0.000	0.000	0.000
718	A	739	TYR	0	0.017	0.027	26.294	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	740	LYS	1	0.834	0.905	23.686	-0.118	-0.118	0.000	0.000	0.000	0.000
720	A	741	LYS	1	0.882	0.945	29.068	-0.056	-0.056	0.000	0.000	0.000	0.000
721	A	742	PRO	0	-0.023	-0.016	28.338	0.002	0.002	0.000	0.000	0.000	0.000
722	A	743	ILE	0	0.011	0.011	29.023	-0.004	-0.004	0.000	0.000	0.000	0.000
723	A	744	GLN	0	-0.036	-0.024	30.059	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	745	THR	0	0.020	0.011	31.349	-0.002	-0.002	0.000	0.000	0.000	0.000
725	A	746	ARG	1	0.901	0.937	34.048	-0.001	-0.001	0.000	0.000	0.000	0.000
726	A	747	LEU	0	-0.006	0.029	30.679	-0.002	-0.002	0.000	0.000	0.000	0.000
727	A	748	ASN	0	0.005	-0.015	35.067	0.004	0.004	0.000	0.000	0.000	0.000
728	A	749	LEU	0	-0.044	-0.016	33.608	-0.003	-0.003	0.000	0.000	0.000	0.000
729	A	750	MET	0	-0.007	0.005	37.849	0.002	0.002	0.000	0.000	0.000	0.000
730	A	751	PHE	0	0.023	0.016	37.028	-0.003	-0.003	0.000	0.000	0.000	0.000
731	A	752	LEU	0	0.046	0.014	40.639	0.002	0.002	0.000	0.000	0.000	0.000
732	A	753	GLY	0	-0.026	-0.006	42.579	0.000	0.000	0.000	0.000	0.000	0.000
733	A	754	GLN	0	-0.028	-0.006	44.766	0.001	0.001	0.000	0.000	0.000	0.000
734	A	755	PHE	0	0.021	0.000	42.078	0.002	0.002	0.000	0.000	0.000	0.000
735	A	756	ARG	1	0.915	0.945	42.253	0.011	0.011	0.000	0.000	0.000	0.000
736	A	757	LEU	0	0.060	0.061	37.006	0.002	0.002	0.000	0.000	0.000	0.000
737	A	758	GLN	0	-0.028	-0.028	38.419	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	759	PRO	0	0.028	0.034	34.218	0.003	0.003	0.000	0.000	0.000	0.000
739	A	760	THR	0	0.028	-0.002	34.974	-0.002	-0.002	0.000	0.000	0.000	0.000
740	A	761	ILE	0	-0.007	-0.002	29.185	0.001	0.001	0.000	0.000	0.000	0.000
741	A	762	ASN	0	0.048	0.027	28.336	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	763	THR	0	0.000	-0.024	26.189	-0.001	-0.001	0.000	0.000	0.000	0.000
743	A	764	ASN	0	-0.039	-0.016	21.256	0.008	0.008	0.000	0.000	0.000	0.000
744	A	765	LYS	1	0.924	0.960	22.724	-0.053	-0.053	0.000	0.000	0.000	0.000
745	A	766	ASP	-1	-0.765	-0.862	23.723	0.095	0.095	0.000	0.000	0.000	0.000
746	A	767	SER	0	-0.072	-0.044	26.579	-0.002	-0.002	0.000	0.000	0.000	0.000
747	A	768	GLU	-1	-0.811	-0.897	29.646	0.058	0.058	0.000	0.000	0.000	0.000
748	A	769	ILE	0	0.025	0.015	27.977	-0.001	-0.001	0.000	0.000	0.000	0.000
749	A	770	ASP	-1	-0.862	-0.941	30.852	0.051	0.051	0.000	0.000	0.000	0.000
750	A	771	ALA	0	0.039	0.010	33.266	0.002	0.002	0.000	0.000	0.000	0.000
751	A	772	HIS	0	0.031	0.030	35.427	0.003	0.003	0.000	0.000	0.000	0.000
752	A	773	LYS	1	0.895	0.952	32.624	-0.051	-0.051	0.000	0.000	0.000	0.000
753	A	774	GLN	0	-0.019	-0.001	28.514	0.002	0.002	0.000	0.000	0.000	0.000
754	A	775	GLU	-1	-0.807	-0.890	32.751	0.062	0.062	0.000	0.000	0.000	0.000
755	A	776	SER	0	-0.074	-0.052	35.490	-0.002	-0.002	0.000	0.000	0.000	0.000
756	A	777	GLY	0	0.021	0.012	32.389	-0.002	-0.002	0.000	0.000	0.000	0.000
757	A	778	ILE	0	-0.001	0.002	30.805	0.002	0.002	0.000	0.000	0.000	0.000
758	A	779	ALA	0	0.038	0.028	32.819	0.003	0.003	0.000	0.000	0.000	0.000
759	A	780	PRO	0	0.011	0.002	33.279	0.002	0.002	0.000	0.000	0.000	0.000
760	A	781	ASN	0	-0.046	-0.046	28.734	0.003	0.003	0.000	0.000	0.000	0.000
761	A	782	PHE	0	0.054	0.032	29.163	0.006	0.006	0.000	0.000	0.000	0.000
762	A	783	VAL	0	0.035	0.029	30.530	0.005	0.005	0.000	0.000	0.000	0.000
763	A	784	HIS	0	-0.092	-0.051	28.817	-0.002	-0.002	0.000	0.000	0.000	0.000
764	A	785	SER	0	-0.009	-0.001	26.093	0.007	0.007	0.000	0.000	0.000	0.000
765	A	786	GLN	0	0.010	0.031	27.181	0.013	0.013	0.000	0.000	0.000	0.000
766	A	787	ASP	-1	-0.756	-0.861	29.735	0.094	0.094	0.000	0.000	0.000	0.000
767	A	788	GLY	0	0.034	0.018	26.027	0.000	0.000	0.000	0.000	0.000	0.000
768	A	789	SER	0	-0.025	-0.024	25.580	0.002	0.002	0.000	0.000	0.000	0.000
769	A	790	HIS	0	0.048	0.032	26.547	0.005	0.005	0.000	0.000	0.000	0.000
770	A	791	LEU	0	-0.014	0.009	26.085	-0.003	-0.003	0.000	0.000	0.000	0.000
771	A	792	ARG	1	0.783	0.861	21.579	-0.178	-0.178	0.000	0.000	0.000	0.000
772	A	793	LYS	1	0.886	0.915	25.559	-0.125	-0.125	0.000	0.000	0.000	0.000
773	A	794	THR	0	-0.055	-0.031	27.771	-0.006	-0.006	0.000	0.000	0.000	0.000
774	A	795	VAL	0	-0.045	-0.021	25.115	-0.004	-0.004	0.000	0.000	0.000	0.000
775	A	796	VAL	0	0.018	0.013	24.198	-0.003	-0.003	0.000	0.000	0.000	0.000
776	A	797	TRP	0	-0.012	-0.014	26.887	-0.003	-0.003	0.000	0.000	0.000	0.000
777	A	798	ALA	0	-0.015	-0.029	30.565	-0.006	-0.006	0.000	0.000	0.000	0.000
778	A	799	HIS	0	-0.099	-0.062	25.997	-0.002	-0.002	0.000	0.000	0.000	0.000
779	A	800	GLU	-1	-0.835	-0.906	25.273	0.158	0.158	0.000	0.000	0.000	0.000
780	A	801	LYS	1	0.872	0.963	29.675	-0.085	-0.085	0.000	0.000	0.000	0.000
781	A	802	TYR	0	-0.077	-0.077	32.953	-0.009	-0.009	0.000	0.000	0.000	0.000
782	A	803	GLY	0	0.044	0.032	32.669	0.003	0.003	0.000	0.000	0.000	0.000
783	A	804	ILE	0	-0.028	-0.014	31.175	-0.007	-0.007	0.000	0.000	0.000	0.000
784	A	805	GLU	-1	-0.851	-0.903	28.834	0.063	0.063	0.000	0.000	0.000	0.000
785	A	806	SER	0	-0.049	-0.035	28.229	0.001	0.001	0.000	0.000	0.000	0.000
786	A	807	PHE	0	0.073	0.024	27.777	-0.002	-0.002	0.000	0.000	0.000	0.000
787	A	808	ALA	0	-0.025	-0.013	29.070	-0.003	-0.003	0.000	0.000	0.000	0.000
788	A	809	LEU	0	0.013	0.012	26.076	0.002	0.002	0.000	0.000	0.000	0.000
789	A	810	ILE	0	0.002	-0.002	28.686	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	811	HIS	0	-0.002	0.004	25.775	0.002	0.002	0.000	0.000	0.000	0.000
791	A	812	ASP	-1	-0.775	-0.862	30.007	0.075	0.075	0.000	0.000	0.000	0.000
792	A	813	SER	0	-0.084	-0.048	33.211	-0.002	-0.002	0.000	0.000	0.000	0.000
793	A	814	PHE	0	0.010	-0.004	30.609	0.005	0.005	0.000	0.000	0.000	0.000
794	A	815	GLY	0	0.063	0.017	33.156	-0.004	-0.004	0.000	0.000	0.000	0.000
795	A	816	THR	0	-0.023	-0.012	33.018	0.005	0.005	0.000	0.000	0.000	0.000
796	A	817	ILE	0	-0.043	0.001	34.811	-0.004	-0.004	0.000	0.000	0.000	0.000
797	A	818	PRO	0	0.015	-0.003	37.327	0.002	0.002	0.000	0.000	0.000	0.000
798	A	819	ALA	0	-0.017	-0.002	40.039	0.001	0.001	0.000	0.000	0.000	0.000
799	A	820	ASP	-1	-0.807	-0.888	36.674	0.053	0.053	0.000	0.000	0.000	0.000
800	A	821	ALA	0	0.013	0.010	38.437	0.004	0.004	0.000	0.000	0.000	0.000
801	A	822	ALA	0	0.057	0.022	40.062	0.002	0.002	0.000	0.000	0.000	0.000
802	A	823	ASN	0	-0.018	-0.007	37.277	0.002	0.002	0.000	0.000	0.000	0.000
803	A	824	LEU	0	0.002	0.010	33.865	0.004	0.004	0.000	0.000	0.000	0.000
804	A	825	PHE	0	-0.019	-0.003	36.893	0.003	0.003	0.000	0.000	0.000	0.000
805	A	826	LYS	1	0.868	0.929	39.546	-0.063	-0.063	0.000	0.000	0.000	0.000
806	A	827	ALA	0	-0.007	-0.012	34.059	0.003	0.003	0.000	0.000	0.000	0.000
807	A	828	VAL	0	0.000	-0.017	34.512	0.005	0.005	0.000	0.000	0.000	0.000
808	A	829	ARG	1	0.841	0.931	35.970	-0.053	-0.053	0.000	0.000	0.000	0.000
809	A	830	GLU	-1	-0.739	-0.833	36.659	0.077	0.077	0.000	0.000	0.000	0.000
810	A	831	THR	0	0.030	0.021	31.844	0.005	0.005	0.000	0.000	0.000	0.000
811	A	832	MET	0	-0.019	0.050	34.069	0.006	0.006	0.000	0.000	0.000	0.000
812	A	833	VAL	0	-0.025	-0.008	36.103	0.001	0.001	0.000	0.000	0.000	0.000
813	A	834	ASP	-1	-0.807	-0.891	32.850	0.115	0.115	0.000	0.000	0.000	0.000
814	A	835	THR	0	-0.028	-0.023	31.475	0.006	0.006	0.000	0.000	0.000	0.000
815	A	836	TYR	0	0.001	-0.014	33.808	0.004	0.004	0.000	0.000	0.000	0.000
816	A	837	GLU	-1	-0.834	-0.885	36.918	0.072	0.072	0.000	0.000	0.000	0.000
817	A	838	SER	0	-0.041	-0.036	33.939	-0.002	-0.002	0.000	0.000	0.000	0.000
818	A	839	CYS	0	-0.068	-0.025	31.860	0.009	0.009	0.000	0.000	0.000	0.000
819	A	840	ASP	-1	-0.848	-0.904	34.402	0.081	0.081	0.000	0.000	0.000	0.000
820	A	841	VAL	0	0.062	0.016	31.971	0.000	0.000	0.000	0.000	0.000	0.000
821	A	842	LEU	0	-0.036	-0.015	33.100	0.003	0.003	0.000	0.000	0.000	0.000
822	A	843	ALA	0	0.017	0.009	35.819	-0.001	-0.001	0.000	0.000	0.000	0.000
823	A	844	ASP	-1	-0.823	-0.920	30.832	0.127	0.127	0.000	0.000	0.000	0.000
824	A	845	PHE	0	-0.067	-0.040	30.454	0.007	0.007	0.000	0.000	0.000	0.000
825	A	846	TYR	0	-0.018	-0.013	32.143	-0.001	-0.001	0.000	0.000	0.000	0.000
826	A	847	ASP	-1	-0.869	-0.943	32.658	0.112	0.112	0.000	0.000	0.000	0.000
827	A	848	GLN	0	-0.138	-0.055	27.142	0.016	0.016	0.000	0.000	0.000	0.000
828	A	849	PHE	0	-0.076	-0.052	30.064	0.001	0.001	0.000	0.000	0.000	0.000
829	A	850	ALA	0	0.037	0.022	32.614	-0.008	-0.008	0.000	0.000	0.000	0.000
830	A	851	ASP	-1	-0.910	-0.960	31.877	0.115	0.115	0.000	0.000	0.000	0.000
831	A	852	GLN	0	-0.085	-0.074	29.124	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	853	LEU	0	-0.021	0.013	31.224	-0.002	-0.002	0.000	0.000	0.000	0.000
833	A	854	HIS	0	-0.041	-0.018	33.785	-0.007	-0.007	0.000	0.000	0.000	0.000
834	A	855	GLU	-1	-0.795	-0.901	36.552	0.077	0.077	0.000	0.000	0.000	0.000
835	A	856	SER	0	-0.066	-0.040	38.101	-0.003	-0.003	0.000	0.000	0.000	0.000
836	A	857	GLN	0	-0.071	-0.041	41.891	0.000	0.000	0.000	0.000	0.000	0.000
837	A	858	LEU	0	0.044	0.019	40.711	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	859	ASP	-1	-0.708	-0.838	42.157	0.053	0.053	0.000	0.000	0.000	0.000
839	A	860	LYS	1	0.738	0.851	44.374	-0.050	-0.050	0.000	0.000	0.000	0.000
840	A	861	MET	0	-0.045	0.008	38.592	-0.001	-0.001	0.000	0.000	0.000	0.000
841	A	862	PRO	0	0.007	0.000	42.169	0.001	0.001	0.000	0.000	0.000	0.000
842	A	863	ALA	0	0.014	-0.011	42.941	-0.003	-0.003	0.000	0.000	0.000	0.000
843	A	864	LEU	0	-0.032	0.004	38.460	0.000	0.000	0.000	0.000	0.000	0.000
844	A	865	PRO	0	0.002	0.007	41.234	-0.002	-0.002	0.000	0.000	0.000	0.000
845	A	866	ALA	0	-0.026	-0.007	44.029	0.002	0.002	0.000	0.000	0.000	0.000
846	A	867	LYS	1	0.787	0.885	40.264	-0.080	-0.080	0.000	0.000	0.000	0.000
847	A	868	GLY	0	-0.007	0.004	45.529	-0.002	-0.002	0.000	0.000	0.000	0.000
848	A	869	ASN	0	-0.076	-0.070	47.442	0.002	0.002	0.000	0.000	0.000	0.000
849	A	870	LEU	0	-0.059	-0.017	43.994	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	871	ASN	0	-0.010	-0.021	45.904	0.006	0.006	0.000	0.000	0.000	0.000
851	A	872	LEU	0	-0.007	0.001	40.017	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	873	ARG	1	0.823	0.874	40.048	-0.075	-0.075	0.000	0.000	0.000	0.000
853	A	874	ASP	-1	-0.829	-0.903	44.780	0.051	0.051	0.000	0.000	0.000	0.000
854	A	875	ILE	0	-0.044	-0.024	40.929	-0.002	-0.002	0.000	0.000	0.000	0.000
855	A	876	LEU	0	-0.072	-0.037	40.713	0.000	0.000	0.000	0.000	0.000	0.000
856	A	877	GLU	-1	-0.901	-0.954	43.766	0.049	0.049	0.000	0.000	0.000	0.000
857	A	878	SER	0	-0.073	-0.041	45.485	-0.004	-0.004	0.000	0.000	0.000	0.000
858	A	879	ASP	-1	-0.820	-0.928	45.394	0.042	0.042	0.000	0.000	0.000	0.000
859	A	880	PHE	0	0.013	-0.002	45.571	0.001	0.001	0.000	0.000	0.000	0.000
860	A	881	ALA	0	-0.017	0.009	42.500	0.001	0.001	0.000	0.000	0.000	0.000
861	A	882	PHE	0	-0.052	-0.020	39.450	0.003	0.003	0.000	0.000	0.000	0.000
862	A	883	ALA	0	0.029	-0.009	35.464	0.000	0.000	0.000	0.000	0.000	0.000

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