FMO DATABASE

FMODB ID: VRNN1

Calculation Name: 2BTV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2BTV

Chain ID: A

ChEMBL ID:

UniProt ID: P56582

Base Structure: X-ray

Registration Date: 2023-03-13

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	OptHSide
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	845
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21547518.123183
FMO2-HF: Nuclear repulsion	21205711.822389
FMO2-HF: Total energy	-341806.300795
FMO2-MP2: Total energy	-342797.482237

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:57:VAL)

Summations of interaction energy for fragment #1(A:57:VAL)

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.
-42.752	-39.986	20.455	-9.791	-13.43	-0.002

Interaction energy analysis for fragmet #1(A:57:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.027 / q_NPA : -0.010

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	59	PHE	0	-0.026	0.002	3.533	-2.019	1.351	-0.027	-1.733	-1.610	-0.003
4	A	60	THR	0	0.020	0.002	6.179	-0.578	-0.578	0.000	0.000	0.000	0.000
5	A	61	VAL	0	-0.007	-0.013	9.639	0.228	0.228	0.000	0.000	0.000	0.000
6	A	62	PRO	0	0.064	0.027	12.959	-0.116	-0.116	0.000	0.000	0.000	0.000
7	A	63	ASP	-1	-0.926	-0.942	16.069	0.428	0.428	0.000	0.000	0.000	0.000
8	A	64	VAL	0	-0.013	-0.018	17.841	-0.031	-0.031	0.000	0.000	0.000	0.000
9	A	65	GLN	0	-0.021	-0.028	15.935	-0.047	-0.047	0.000	0.000	0.000	0.000
10	A	66	GLN	0	-0.042	-0.009	18.704	-0.034	-0.034	0.000	0.000	0.000	0.000
11	A	67	ILE	0	0.059	0.023	21.105	-0.022	-0.022	0.000	0.000	0.000	0.000
12	A	68	LEU	0	0.017	0.002	18.201	-0.019	-0.019	0.000	0.000	0.000	0.000
13	A	69	ASP	-1	-0.869	-0.925	20.052	-0.067	-0.067	0.000	0.000	0.000	0.000
14	A	70	ASP	-1	-0.894	-0.959	22.702	0.045	0.045	0.000	0.000	0.000	0.000
15	A	71	ILE	0	0.000	-0.006	24.336	-0.004	-0.004	0.000	0.000	0.000	0.000
16	A	72	LYS	1	0.849	0.920	19.893	0.080	0.080	0.000	0.000	0.000	0.000
17	A	73	ALA	0	-0.049	-0.024	25.478	-0.012	-0.012	0.000	0.000	0.000	0.000
18	A	74	LEU	0	0.013	0.006	28.362	-0.001	-0.001	0.000	0.000	0.000	0.000
19	A	75	ALA	0	-0.016	0.001	28.814	-0.001	-0.001	0.000	0.000	0.000	0.000
20	A	76	ALA	0	-0.070	-0.040	30.650	-0.005	-0.005	0.000	0.000	0.000	0.000
21	A	77	GLU	-1	-0.846	-0.903	32.500	0.011	0.011	0.000	0.000	0.000	0.000
22	A	78	GLN	0	-0.049	-0.021	35.371	-0.003	-0.003	0.000	0.000	0.000	0.000
23	A	79	VAL	0	-0.043	-0.032	38.269	0.003	0.003	0.000	0.000	0.000	0.000
24	A	80	TYR	0	-0.024	-0.014	38.473	0.002	0.002	0.000	0.000	0.000	0.000
25	A	81	LYS	1	0.972	0.980	43.141	0.010	0.010	0.000	0.000	0.000	0.000
26	A	82	ILE	0	0.019	0.016	43.450	0.001	0.001	0.000	0.000	0.000	0.000
27	A	83	VAL	0	-0.037	-0.014	47.249	-0.001	-0.001	0.000	0.000	0.000	0.000
28	A	84	LYS	1	0.862	0.913	50.838	0.030	0.030	0.000	0.000	0.000	0.000
29	A	85	VAL	0	0.013	-0.010	53.883	0.000	0.000	0.000	0.000	0.000	0.000
30	A	86	PRO	0	0.001	0.029	54.946	0.000	0.000	0.000	0.000	0.000	0.000
31	A	87	SER	0	-0.018	-0.004	54.960	0.000	0.000	0.000	0.000	0.000	0.000
32	A	88	THR	0	-0.005	-0.019	56.772	0.000	0.000	0.000	0.000	0.000	0.000
33	A	89	SER	0	-0.007	0.010	59.372	0.001	0.001	0.000	0.000	0.000	0.000
34	A	90	PHE	0	-0.008	0.000	61.177	0.001	0.001	0.000	0.000	0.000	0.000
35	A	91	ARG	1	0.855	0.898	64.628	-0.002	-0.002	0.000	0.000	0.000	0.000
36	A	92	HIS	0	-0.020	-0.025	66.815	0.002	0.002	0.000	0.000	0.000	0.000
37	A	93	ILE	0	-0.002	0.000	70.542	-0.001	-0.001	0.000	0.000	0.000	0.000
38	A	94	VAL	0	-0.023	-0.028	72.531	0.000	0.000	0.000	0.000	0.000	0.000
39	A	95	THR	0	0.060	0.054	75.945	0.000	0.000	0.000	0.000	0.000	0.000
40	A	96	GLN	0	0.029	0.016	78.986	0.000	0.000	0.000	0.000	0.000	0.000
41	A	97	SER	0	0.025	0.007	81.332	0.000	0.000	0.000	0.000	0.000	0.000
42	A	98	ARG	1	0.907	0.956	81.450	0.005	0.005	0.000	0.000	0.000	0.000
43	A	99	ASP	-1	-0.895	-0.907	82.130	-0.001	-0.001	0.000	0.000	0.000	0.000
44	A	100	ARG	1	0.843	0.898	80.065	-0.001	-0.001	0.000	0.000	0.000	0.000
45	A	101	VAL	0	-0.010	0.019	75.278	0.000	0.000	0.000	0.000	0.000	0.000
46	A	102	LEU	0	0.060	0.038	74.032	0.000	0.000	0.000	0.000	0.000	0.000
47	A	103	ARG	1	0.827	0.919	69.094	0.000	0.000	0.000	0.000	0.000	0.000
48	A	104	VAL	0	-0.004	-0.002	65.975	0.001	0.001	0.000	0.000	0.000	0.000
49	A	105	ASP	-1	-0.777	-0.908	62.617	0.004	0.004	0.000	0.000	0.000	0.000
50	A	106	THR	0	-0.024	0.003	61.186	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	107	TYR	0	-0.004	-0.013	55.739	0.001	0.001	0.000	0.000	0.000	0.000
52	A	108	TYR	0	0.006	-0.045	59.146	0.001	0.001	0.000	0.000	0.000	0.000
53	A	109	GLU	-1	-0.772	-0.866	61.440	0.004	0.004	0.000	0.000	0.000	0.000
54	A	110	GLU	-1	-0.841	-0.908	55.928	0.003	0.003	0.000	0.000	0.000	0.000
55	A	111	MET	0	-0.026	-0.012	54.067	0.002	0.002	0.000	0.000	0.000	0.000
56	A	112	SER	0	-0.063	-0.021	57.749	0.002	0.002	0.000	0.000	0.000	0.000
57	A	113	GLN	0	-0.074	-0.046	57.837	0.001	0.001	0.000	0.000	0.000	0.000
58	A	114	VAL	0	0.034	0.036	52.174	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	115	GLY	0	-0.013	-0.018	52.516	0.001	0.001	0.000	0.000	0.000	0.000
60	A	116	ASP	-1	-0.900	-0.935	51.538	0.030	0.030	0.000	0.000	0.000	0.000
61	A	117	VAL	0	-0.006	-0.009	54.727	0.000	0.000	0.000	0.000	0.000	0.000
62	A	118	ILE	0	-0.011	-0.010	56.680	0.002	0.002	0.000	0.000	0.000	0.000
63	A	119	THR	0	-0.047	-0.034	57.170	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	120	GLU	-1	-0.853	-0.906	57.235	0.035	0.035	0.000	0.000	0.000	0.000
65	A	121	ASP	-1	-0.954	-0.994	57.194	0.042	0.042	0.000	0.000	0.000	0.000
66	A	122	GLU	-1	-0.789	-0.849	53.561	0.043	0.043	0.000	0.000	0.000	0.000
67	A	123	PRO	0	-0.007	-0.016	51.293	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	124	GLU	-1	-0.821	-0.894	44.848	0.068	0.068	0.000	0.000	0.000	0.000
69	A	125	LYS	1	0.883	0.928	48.907	-0.039	-0.039	0.000	0.000	0.000	0.000
70	A	126	PHE	0	0.044	0.014	50.805	-0.002	-0.002	0.000	0.000	0.000	0.000
71	A	127	TYR	0	0.007	-0.009	47.973	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	128	SER	0	0.055	0.019	45.422	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	129	THR	0	-0.037	-0.005	48.024	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	130	ILE	0	0.008	0.003	50.403	-0.003	-0.003	0.000	0.000	0.000	0.000
75	A	131	ILE	0	0.014	0.005	44.420	-0.003	-0.003	0.000	0.000	0.000	0.000
76	A	132	LYS	1	0.879	0.925	47.574	-0.033	-0.033	0.000	0.000	0.000	0.000
77	A	133	LYS	1	0.851	0.932	48.513	-0.024	-0.024	0.000	0.000	0.000	0.000
78	A	134	VAL	0	0.017	0.009	47.991	-0.003	-0.003	0.000	0.000	0.000	0.000
79	A	135	ARG	1	0.789	0.850	41.304	-0.040	-0.040	0.000	0.000	0.000	0.000
80	A	136	PHE	0	-0.034	-0.021	46.876	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	137	ILE	0	-0.016	0.009	49.561	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	138	ARG	1	0.864	0.916	40.973	-0.020	-0.020	0.000	0.000	0.000	0.000
83	A	139	GLY	0	-0.008	0.021	46.495	-0.003	-0.003	0.000	0.000	0.000	0.000
84	A	140	LYS	1	0.802	0.867	47.458	-0.003	-0.003	0.000	0.000	0.000	0.000
85	A	141	GLY	0	-0.006	-0.013	50.291	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	142	SER	0	-0.034	-0.032	45.632	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	143	PHE	0	-0.037	-0.030	47.204	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	144	ILE	0	0.013	0.000	44.943	0.001	0.001	0.000	0.000	0.000	0.000
89	A	145	LEU	0	0.002	0.006	49.191	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	146	HIS	0	-0.019	-0.030	49.405	0.000	0.000	0.000	0.000	0.000	0.000
91	A	147	ASP	-1	-0.848	-0.906	51.714	-0.033	-0.033	0.000	0.000	0.000	0.000
92	A	148	ILE	0	0.064	0.041	54.179	0.000	0.000	0.000	0.000	0.000	0.000
93	A	149	PRO	0	-0.048	-0.016	57.137	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	150	ALA	0	0.030	0.025	60.394	0.002	0.002	0.000	0.000	0.000	0.000
95	A	151	ARG	1	0.829	0.894	62.632	0.015	0.015	0.000	0.000	0.000	0.000
96	A	152	ASP	-1	-0.954	-0.974	66.266	-0.022	-0.022	0.000	0.000	0.000	0.000
97	A	153	HIS	0	-0.008	-0.006	68.807	0.000	0.000	0.000	0.000	0.000	0.000
98	A	154	ARG	1	0.874	0.926	72.098	0.015	0.015	0.000	0.000	0.000	0.000
99	A	155	GLY	0	0.040	0.025	71.019	0.000	0.000	0.000	0.000	0.000	0.000
100	A	156	MET	0	-0.036	-0.009	68.877	0.000	0.000	0.000	0.000	0.000	0.000
101	A	157	GLU	-1	-0.789	-0.878	61.653	-0.024	-0.024	0.000	0.000	0.000	0.000
102	A	158	VAL	0	-0.008	-0.003	66.128	0.001	0.001	0.000	0.000	0.000	0.000
103	A	159	ALA	0	0.016	0.008	63.467	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	160	GLU	-1	-0.844	-0.921	63.219	-0.017	-0.017	0.000	0.000	0.000	0.000
105	A	161	PRO	0	-0.024	-0.026	63.853	0.001	0.001	0.000	0.000	0.000	0.000
106	A	162	GLU	-1	-0.950	-0.982	61.488	-0.014	-0.014	0.000	0.000	0.000	0.000
107	A	163	VAL	0	-0.049	-0.022	58.432	0.000	0.000	0.000	0.000	0.000	0.000
108	A	164	LEU	0	-0.023	-0.003	60.128	0.001	0.001	0.000	0.000	0.000	0.000
109	A	165	GLY	0	0.014	0.019	61.571	0.000	0.000	0.000	0.000	0.000	0.000
110	A	166	VAL	0	0.007	-0.041	62.127	0.001	0.001	0.000	0.000	0.000	0.000
111	A	167	GLU	-1	-0.926	-0.919	65.348	-0.009	-0.009	0.000	0.000	0.000	0.000
112	A	168	PHE	0	0.045	0.012	67.255	0.001	0.001	0.000	0.000	0.000	0.000
113	A	169	LYS	1	0.893	0.924	64.708	0.011	0.011	0.000	0.000	0.000	0.000
114	A	170	ASN	0	0.042	0.024	69.262	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	171	VAL	0	0.029	0.001	73.005	0.000	0.000	0.000	0.000	0.000	0.000
116	A	172	LEU	0	-0.010	-0.009	73.412	0.000	0.000	0.000	0.000	0.000	0.000
117	A	173	PRO	0	-0.019	-0.004	75.498	0.000	0.000	0.000	0.000	0.000	0.000
118	A	174	VAL	0	-0.025	-0.001	78.563	0.000	0.000	0.000	0.000	0.000	0.000
119	A	175	LEU	0	-0.061	-0.023	77.297	0.000	0.000	0.000	0.000	0.000	0.000
120	A	176	THR	0	-0.041	-0.052	81.476	0.000	0.000	0.000	0.000	0.000	0.000
121	A	177	ALA	0	0.005	0.007	83.211	0.000	0.000	0.000	0.000	0.000	0.000
122	A	178	GLU	-1	-0.787	-0.877	83.507	-0.006	-0.006	0.000	0.000	0.000	0.000
123	A	179	HIS	0	0.017	0.000	80.942	0.000	0.000	0.000	0.000	0.000	0.000
124	A	180	ARG	1	0.955	0.987	78.657	0.008	0.008	0.000	0.000	0.000	0.000
125	A	181	ALA	0	0.027	0.006	78.614	0.000	0.000	0.000	0.000	0.000	0.000
126	A	182	MET	0	-0.019	0.003	79.168	0.000	0.000	0.000	0.000	0.000	0.000
127	A	183	ILE	0	-0.010	-0.022	74.141	0.000	0.000	0.000	0.000	0.000	0.000
128	A	184	GLN	0	-0.043	-0.020	73.331	0.000	0.000	0.000	0.000	0.000	0.000
129	A	185	ASN	0	0.001	-0.008	74.825	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	186	ALA	0	-0.025	-0.009	73.657	0.000	0.000	0.000	0.000	0.000	0.000
131	A	187	LEU	0	-0.028	-0.013	69.498	0.000	0.000	0.000	0.000	0.000	0.000
132	A	188	ASP	-1	-0.824	-0.887	70.295	-0.014	-0.014	0.000	0.000	0.000	0.000
133	A	189	GLY	0	-0.022	-0.004	72.289	0.000	0.000	0.000	0.000	0.000	0.000
134	A	190	SER	0	-0.077	-0.031	66.642	0.000	0.000	0.000	0.000	0.000	0.000
135	A	191	ILE	0	0.005	-0.005	67.268	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	192	ILE	0	-0.042	-0.025	61.222	0.001	0.001	0.000	0.000	0.000	0.000
137	A	193	GLU	-1	-0.980	-0.975	62.149	-0.013	-0.013	0.000	0.000	0.000	0.000
138	A	194	ASN	0	-0.023	-0.049	60.252	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	195	GLY	0	0.028	0.030	57.727	0.001	0.001	0.000	0.000	0.000	0.000
140	A	196	ASN	0	-0.060	-0.059	56.502	0.001	0.001	0.000	0.000	0.000	0.000
141	A	197	VAL	0	0.038	0.023	51.340	-0.002	-0.002	0.000	0.000	0.000	0.000
142	A	198	ALA	0	0.078	0.059	47.894	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	199	THR	0	-0.069	-0.037	48.843	-0.003	-0.003	0.000	0.000	0.000	0.000
144	A	200	ARG	1	0.784	0.898	44.158	0.043	0.043	0.000	0.000	0.000	0.000
145	A	201	ASP	-1	-0.888	-0.942	51.412	-0.029	-0.029	0.000	0.000	0.000	0.000
146	A	202	VAL	0	-0.083	-0.046	52.038	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	203	ASP	-1	-0.791	-0.875	54.829	-0.024	-0.024	0.000	0.000	0.000	0.000
148	A	204	VAL	0	-0.021	-0.029	57.150	0.001	0.001	0.000	0.000	0.000	0.000
149	A	205	PHE	0	0.039	0.018	57.649	0.000	0.000	0.000	0.000	0.000	0.000
150	A	206	ILE	0	-0.003	-0.007	61.181	0.001	0.001	0.000	0.000	0.000	0.000
151	A	207	GLY	0	0.062	0.033	61.976	0.000	0.000	0.000	0.000	0.000	0.000
152	A	208	ALA	0	-0.019	0.003	62.347	0.001	0.001	0.000	0.000	0.000	0.000
153	A	209	CYS	0	-0.017	-0.030	57.815	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	210	SER	0	0.031	0.010	58.919	0.000	0.000	0.000	0.000	0.000	0.000
155	A	211	GLU	-1	-0.797	-0.885	58.493	0.007	0.007	0.000	0.000	0.000	0.000
156	A	212	PRO	0	0.026	0.017	55.705	-0.001	-0.001	0.000	0.000	0.000	0.000
157	A	213	ILE	0	0.033	0.016	53.586	0.000	0.000	0.000	0.000	0.000	0.000
158	A	214	TYR	0	-0.022	-0.034	53.771	0.000	0.000	0.000	0.000	0.000	0.000
159	A	215	ARG	1	0.881	0.941	53.757	-0.013	-0.013	0.000	0.000	0.000	0.000
160	A	216	ILE	0	-0.009	0.015	48.589	0.000	0.000	0.000	0.000	0.000	0.000
161	A	217	TYR	0	-0.016	0.017	49.977	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	218	ASN	0	-0.014	-0.009	50.761	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	219	ARG	1	0.841	0.914	46.889	-0.014	-0.014	0.000	0.000	0.000	0.000
164	A	220	LEU	0	-0.024	-0.003	44.552	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	221	GLN	0	-0.005	-0.001	46.440	-0.005	-0.005	0.000	0.000	0.000	0.000
166	A	222	GLY	0	0.041	0.021	48.105	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	223	TYR	0	-0.068	-0.038	38.631	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	224	ILE	0	0.018	0.001	43.707	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	225	GLU	-1	-0.866	-0.923	44.695	-0.017	-0.017	0.000	0.000	0.000	0.000
170	A	226	ALA	0	0.018	-0.002	44.083	-0.002	-0.002	0.000	0.000	0.000	0.000
171	A	227	VAL	0	-0.052	-0.031	39.473	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	228	GLN	0	-0.060	-0.057	41.618	-0.007	-0.007	0.000	0.000	0.000	0.000
173	A	229	LEU	0	-0.070	-0.016	43.910	-0.003	-0.003	0.000	0.000	0.000	0.000
174	A	230	GLN	0	-0.080	-0.051	41.899	-0.003	-0.003	0.000	0.000	0.000	0.000
175	A	231	GLU	-1	-0.791	-0.894	38.625	-0.010	-0.010	0.000	0.000	0.000	0.000
176	A	232	LEU	0	-0.007	0.027	36.147	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	233	ARG	1	0.991	0.983	36.366	0.035	0.035	0.000	0.000	0.000	0.000
178	A	234	ASN	0	-0.062	-0.034	36.280	-0.006	-0.006	0.000	0.000	0.000	0.000
179	A	235	SER	0	0.009	-0.010	33.112	0.001	0.001	0.000	0.000	0.000	0.000
180	A	236	ILE	0	0.013	0.014	31.705	-0.003	-0.003	0.000	0.000	0.000	0.000
181	A	237	GLY	0	0.062	0.035	31.295	-0.006	-0.006	0.000	0.000	0.000	0.000
182	A	238	TRP	0	-0.007	-0.018	27.472	0.001	0.001	0.000	0.000	0.000	0.000
183	A	239	LEU	0	0.020	0.012	26.017	0.002	0.002	0.000	0.000	0.000	0.000
184	A	240	GLU	-1	-0.867	-0.924	26.859	-0.089	-0.089	0.000	0.000	0.000	0.000
185	A	241	ARG	1	0.894	0.952	27.931	0.014	0.014	0.000	0.000	0.000	0.000
186	A	242	LEU	0	0.004	-0.002	22.473	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	243	GLY	0	0.028	0.020	23.064	-0.006	-0.006	0.000	0.000	0.000	0.000
188	A	244	GLN	0	-0.050	-0.006	23.309	-0.012	-0.012	0.000	0.000	0.000	0.000
189	A	245	ARG	1	0.837	0.907	22.551	-0.034	-0.034	0.000	0.000	0.000	0.000
190	A	246	LYS	1	0.900	0.942	18.976	-0.004	-0.004	0.000	0.000	0.000	0.000
191	A	247	ARG	1	0.813	0.908	18.374	0.128	0.128	0.000	0.000	0.000	0.000
192	A	248	ILE	0	-0.001	-0.005	18.951	-0.036	-0.036	0.000	0.000	0.000	0.000
193	A	249	THR	0	0.009	0.011	21.067	0.028	0.028	0.000	0.000	0.000	0.000
194	A	250	TYR	0	0.014	-0.018	23.051	-0.011	-0.011	0.000	0.000	0.000	0.000
195	A	251	SER	0	-0.081	-0.060	26.058	0.008	0.008	0.000	0.000	0.000	0.000
196	A	252	GLN	0	0.033	0.006	28.229	0.012	0.012	0.000	0.000	0.000	0.000
197	A	253	GLU	-1	-0.896	-0.933	28.834	-0.158	-0.158	0.000	0.000	0.000	0.000
198	A	254	VAL	0	0.013	0.014	31.708	0.005	0.005	0.000	0.000	0.000	0.000
199	A	255	LEU	0	0.011	0.011	34.432	0.006	0.006	0.000	0.000	0.000	0.000
200	A	256	THR	0	-0.100	-0.064	35.242	0.004	0.004	0.000	0.000	0.000	0.000
201	A	257	ASP	-1	-0.874	-0.943	37.568	-0.080	-0.080	0.000	0.000	0.000	0.000
202	A	258	PHE	0	0.051	0.011	39.582	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	259	ARG	1	0.784	0.891	43.124	0.060	0.060	0.000	0.000	0.000	0.000
204	A	260	ARG	1	0.914	0.951	40.499	0.076	0.076	0.000	0.000	0.000	0.000
205	A	261	GLN	0	0.003	-0.005	43.007	0.001	0.001	0.000	0.000	0.000	0.000
206	A	262	ASP	-1	-0.875	-0.926	46.357	-0.049	-0.049	0.000	0.000	0.000	0.000
207	A	263	MET	0	-0.029	-0.001	41.714	0.000	0.000	0.000	0.000	0.000	0.000
208	A	264	ILE	0	-0.011	0.000	43.812	0.000	0.000	0.000	0.000	0.000	0.000
209	A	265	TRP	0	0.043	0.001	38.822	-0.004	-0.004	0.000	0.000	0.000	0.000
210	A	266	VAL	0	0.008	-0.005	39.471	0.005	0.005	0.000	0.000	0.000	0.000
211	A	267	LEU	0	-0.034	0.013	33.869	0.000	0.000	0.000	0.000	0.000	0.000
212	A	268	ALA	0	0.050	-0.009	35.944	0.004	0.004	0.000	0.000	0.000	0.000
213	A	269	LEU	0	0.013	-0.015	31.364	0.005	0.005	0.000	0.000	0.000	0.000
214	A	270	GLN	0	0.028	0.027	34.379	0.006	0.006	0.000	0.000	0.000	0.000
215	A	271	LEU	0	0.038	-0.001	28.082	0.002	0.002	0.000	0.000	0.000	0.000
216	A	272	PRO	0	-0.026	0.000	30.566	0.003	0.003	0.000	0.000	0.000	0.000
217	A	273	VAL	0	0.020	0.019	28.489	0.008	0.008	0.000	0.000	0.000	0.000
218	A	274	ASN	0	0.042	-0.008	31.270	0.002	0.002	0.000	0.000	0.000	0.000
219	A	275	PRO	0	0.035	0.016	29.749	0.004	0.004	0.000	0.000	0.000	0.000
220	A	276	GLN	0	-0.003	0.019	30.900	0.015	0.015	0.000	0.000	0.000	0.000
221	A	277	VAL	0	0.048	0.034	32.257	0.009	0.009	0.000	0.000	0.000	0.000
222	A	278	VAL	0	-0.010	-0.008	26.875	0.004	0.004	0.000	0.000	0.000	0.000
223	A	279	TRP	0	0.030	0.005	24.251	0.016	0.016	0.000	0.000	0.000	0.000
224	A	280	ASP	-1	-0.848	-0.902	30.723	0.091	0.091	0.000	0.000	0.000	0.000
225	A	281	VAL	0	-0.072	-0.025	30.406	0.000	0.000	0.000	0.000	0.000	0.000
226	A	282	PRO	0	0.021	-0.002	31.988	0.011	0.011	0.000	0.000	0.000	0.000
227	A	283	ARG	1	0.928	0.944	30.610	-0.187	-0.187	0.000	0.000	0.000	0.000
228	A	284	SER	0	-0.010	0.011	27.958	0.023	0.023	0.000	0.000	0.000	0.000
229	A	285	SER	0	-0.009	-0.009	26.074	0.012	0.012	0.000	0.000	0.000	0.000
230	A	286	ILE	0	0.087	0.038	21.962	0.007	0.007	0.000	0.000	0.000	0.000
231	A	287	ALA	0	0.017	0.013	21.994	0.029	0.029	0.000	0.000	0.000	0.000
232	A	288	ASN	0	-0.001	-0.023	22.251	0.003	0.003	0.000	0.000	0.000	0.000
233	A	289	LEU	0	0.008	0.024	17.861	-0.008	-0.008	0.000	0.000	0.000	0.000
234	A	290	ILE	0	0.009	-0.006	17.585	0.023	0.023	0.000	0.000	0.000	0.000
235	A	291	MET	0	0.014	0.019	17.431	0.004	0.004	0.000	0.000	0.000	0.000
236	A	292	ASN	0	0.011	0.007	18.427	-0.059	-0.059	0.000	0.000	0.000	0.000
237	A	293	ILE	0	-0.036	-0.025	12.804	-0.029	-0.029	0.000	0.000	0.000	0.000
238	A	294	ALA	0	-0.013	-0.010	13.734	0.000	0.000	0.000	0.000	0.000	0.000
239	A	295	THR	0	-0.072	-0.042	14.940	-0.081	-0.081	0.000	0.000	0.000	0.000
240	A	296	CYS	0	-0.071	-0.029	14.632	-0.064	-0.064	0.000	0.000	0.000	0.000
241	A	297	LEU	0	0.017	0.041	9.101	0.007	0.007	0.000	0.000	0.000	0.000
242	A	298	PRO	0	-0.034	-0.010	8.589	-0.060	-0.060	0.000	0.000	0.000	0.000
243	A	299	THR	0	0.001	0.014	3.012	0.076	0.384	0.057	-0.077	-0.289	0.000
244	A	300	GLY	0	-0.060	-0.044	3.995	-0.628	-0.363	0.002	-0.091	-0.175	0.000
245	A	301	GLU	-1	-0.869	-0.927	2.060	-13.457	-10.598	8.619	-4.042	-7.436	-0.049
246	A	302	TYR	0	-0.047	-0.032	3.530	0.921	1.170	0.019	0.065	-0.333	0.000
247	A	303	ILE	0	0.014	0.024	6.009	-0.227	-0.227	0.000	0.000	0.000	0.000
248	A	304	ALA	0	0.004	0.001	8.762	0.313	0.313	0.000	0.000	0.000	0.000
249	A	305	PRO	0	0.032	0.019	11.615	-0.086	-0.086	0.000	0.000	0.000	0.000
250	A	306	ASN	0	0.023	-0.003	15.262	-0.039	-0.039	0.000	0.000	0.000	0.000
251	A	307	PRO	0	0.066	0.031	16.720	0.045	0.045	0.000	0.000	0.000	0.000
252	A	308	ARG	1	0.974	0.977	19.105	0.174	0.174	0.000	0.000	0.000	0.000
253	A	309	ILE	0	0.028	0.020	19.592	0.010	0.010	0.000	0.000	0.000	0.000
254	A	310	SER	0	0.044	0.048	20.926	0.006	0.006	0.000	0.000	0.000	0.000
255	A	311	SER	0	-0.039	-0.028	22.928	0.007	0.007	0.000	0.000	0.000	0.000
256	A	312	ILE	0	-0.022	0.001	25.368	0.001	0.001	0.000	0.000	0.000	0.000
257	A	313	THR	0	-0.071	-0.047	25.353	0.010	0.010	0.000	0.000	0.000	0.000
258	A	314	LEU	0	0.042	0.037	23.868	0.002	0.002	0.000	0.000	0.000	0.000
259	A	315	THR	0	-0.043	-0.022	24.432	0.007	0.007	0.000	0.000	0.000	0.000
260	A	316	GLN	0	-0.011	0.014	27.568	-0.008	-0.008	0.000	0.000	0.000	0.000
261	A	317	ARG	1	0.920	0.938	30.554	-0.026	-0.026	0.000	0.000	0.000	0.000
262	A	318	ILE	0	0.015	0.021	29.630	0.010	0.010	0.000	0.000	0.000	0.000
263	A	319	THR	0	0.000	-0.008	32.994	-0.002	-0.002	0.000	0.000	0.000	0.000
264	A	320	THR	0	-0.004	-0.020	32.113	-0.004	-0.004	0.000	0.000	0.000	0.000
265	A	321	THR	0	-0.001	-0.007	30.344	0.002	0.002	0.000	0.000	0.000	0.000
266	A	322	GLY	0	0.031	0.017	29.317	0.010	0.010	0.000	0.000	0.000	0.000
267	A	323	PRO	0	0.001	0.016	27.534	0.005	0.005	0.000	0.000	0.000	0.000
268	A	324	PHE	0	0.011	-0.011	23.090	0.022	0.022	0.000	0.000	0.000	0.000
269	A	325	ALA	0	0.037	0.043	24.707	-0.009	-0.009	0.000	0.000	0.000	0.000
270	A	326	ILE	0	-0.018	-0.007	20.475	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	327	LEU	0	-0.053	-0.034	19.528	0.024	0.024	0.000	0.000	0.000	0.000
272	A	328	THR	0	-0.040	-0.011	19.083	-0.006	-0.006	0.000	0.000	0.000	0.000
273	A	329	GLY	0	-0.017	0.011	18.275	-0.010	-0.010	0.000	0.000	0.000	0.000
274	A	330	SER	0	0.018	0.014	13.803	0.027	0.027	0.000	0.000	0.000	0.000
275	A	331	THR	0	0.035	-0.006	9.745	0.031	0.031	0.000	0.000	0.000	0.000
276	A	332	PRO	0	-0.003	0.015	11.465	0.063	0.063	0.000	0.000	0.000	0.000
277	A	333	THR	0	0.007	-0.029	7.043	0.053	0.053	0.000	0.000	0.000	0.000
278	A	334	ALA	0	0.059	0.042	9.519	0.254	0.254	0.000	0.000	0.000	0.000
279	A	335	GLN	0	0.020	0.024	10.895	0.213	0.213	0.000	0.000	0.000	0.000
280	A	336	GLN	0	0.065	0.001	11.552	0.150	0.150	0.000	0.000	0.000	0.000
281	A	337	LEU	0	0.031	0.009	4.909	-0.207	-0.207	0.000	0.000	0.000	0.000
282	A	338	ASN	0	0.007	0.012	7.722	1.365	1.365	0.000	0.000	0.000	0.000
283	A	339	ASP	-1	-0.729	-0.839	9.148	1.087	1.087	0.000	0.000	0.000	0.000
284	A	340	VAL	0	-0.031	-0.034	8.740	-0.251	-0.251	0.000	0.000	0.000	0.000
285	A	341	ARG	1	0.818	0.890	1.975	-26.272	-30.951	11.779	-3.823	-3.277	0.050
286	A	342	LYS	1	0.824	0.917	8.571	-1.649	-1.649	0.000	0.000	0.000	0.000
287	A	343	ILE	0	0.008	0.014	12.104	-0.195	-0.195	0.000	0.000	0.000	0.000
288	A	344	TYR	0	-0.028	-0.060	9.786	-0.255	-0.255	0.000	0.000	0.000	0.000
289	A	345	LEU	0	0.041	0.009	10.598	-0.219	-0.219	0.000	0.000	0.000	0.000
290	A	346	ALA	0	0.003	-0.012	12.134	-0.164	-0.164	0.000	0.000	0.000	0.000
291	A	347	LEU	0	0.020	0.024	14.801	-0.125	-0.125	0.000	0.000	0.000	0.000
292	A	348	MET	0	-0.105	-0.035	11.858	-0.083	-0.083	0.000	0.000	0.000	0.000
293	A	349	PHE	0	0.008	0.006	14.194	-0.046	-0.046	0.000	0.000	0.000	0.000
294	A	350	PRO	0	-0.081	-0.028	17.839	-0.048	-0.048	0.000	0.000	0.000	0.000
295	A	351	GLY	0	0.066	0.018	19.842	0.029	0.029	0.000	0.000	0.000	0.000
296	A	352	GLN	0	-0.024	-0.010	20.337	-0.017	-0.017	0.000	0.000	0.000	0.000
297	A	353	ILE	0	-0.016	-0.007	16.002	0.012	0.012	0.000	0.000	0.000	0.000
298	A	354	ILE	0	0.034	0.040	19.325	0.000	0.000	0.000	0.000	0.000	0.000
299	A	355	LEU	0	-0.048	-0.013	16.130	0.084	0.084	0.000	0.000	0.000	0.000
300	A	356	ASP	-1	-0.806	-0.963	19.684	0.432	0.432	0.000	0.000	0.000	0.000
301	A	357	LEU	0	0.011	0.001	21.864	0.014	0.014	0.000	0.000	0.000	0.000
302	A	358	LYS	1	0.854	0.942	20.973	-0.437	-0.437	0.000	0.000	0.000	0.000
303	A	359	ILE	0	-0.004	0.007	17.851	-0.010	-0.010	0.000	0.000	0.000	0.000
304	A	360	ASP	-1	-0.839	-0.937	22.524	0.334	0.334	0.000	0.000	0.000	0.000
305	A	361	PRO	0	-0.056	-0.013	22.294	-0.027	-0.027	0.000	0.000	0.000	0.000
306	A	362	GLY	0	0.072	0.048	25.289	-0.006	-0.006	0.000	0.000	0.000	0.000
307	A	363	GLU	-1	-0.886	-0.957	22.414	0.357	0.357	0.000	0.000	0.000	0.000
308	A	364	ARG	1	0.728	0.865	25.052	-0.367	-0.367	0.000	0.000	0.000	0.000
309	A	365	MET	0	-0.049	-0.020	26.169	-0.011	-0.011	0.000	0.000	0.000	0.000
310	A	366	ASP	-1	-0.814	-0.927	24.714	0.283	0.283	0.000	0.000	0.000	0.000
311	A	367	PRO	0	0.025	-0.006	26.186	0.015	0.015	0.000	0.000	0.000	0.000
312	A	368	ALA	0	0.008	0.028	25.621	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	369	VAL	0	0.009	-0.004	20.883	0.012	0.012	0.000	0.000	0.000	0.000
314	A	370	ARG	1	0.804	0.891	23.031	-0.222	-0.222	0.000	0.000	0.000	0.000
315	A	371	MET	0	-0.028	0.008	25.439	0.002	0.002	0.000	0.000	0.000	0.000
316	A	372	VAL	0	-0.024	-0.008	21.325	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	373	ALA	0	-0.012	-0.008	21.304	0.003	0.003	0.000	0.000	0.000	0.000
318	A	374	GLY	0	0.047	0.028	22.320	0.011	0.011	0.000	0.000	0.000	0.000
319	A	375	VAL	0	-0.015	0.004	24.990	-0.009	-0.009	0.000	0.000	0.000	0.000
320	A	376	VAL	0	-0.022	-0.008	18.775	-0.005	-0.005	0.000	0.000	0.000	0.000
321	A	377	GLY	0	0.053	0.013	21.460	0.005	0.005	0.000	0.000	0.000	0.000
322	A	378	HIS	1	0.795	0.896	22.422	-0.239	-0.239	0.000	0.000	0.000	0.000
323	A	379	LEU	0	0.020	0.008	22.439	-0.027	-0.027	0.000	0.000	0.000	0.000
324	A	380	LEU	0	-0.046	-0.001	15.917	-0.020	-0.020	0.000	0.000	0.000	0.000
325	A	381	PHE	0	0.033	0.019	17.396	0.018	0.018	0.000	0.000	0.000	0.000
326	A	382	THR	0	0.036	0.009	21.459	-0.022	-0.022	0.000	0.000	0.000	0.000
327	A	383	ALA	0	-0.023	0.004	24.196	0.017	0.017	0.000	0.000	0.000	0.000
328	A	384	GLY	0	0.011	-0.024	26.938	-0.015	-0.015	0.000	0.000	0.000	0.000
329	A	385	GLY	0	0.101	0.065	28.577	0.007	0.007	0.000	0.000	0.000	0.000
330	A	386	ARG	1	0.693	0.838	25.976	-0.168	-0.168	0.000	0.000	0.000	0.000
331	A	387	PHE	0	0.025	-0.004	22.362	-0.007	-0.007	0.000	0.000	0.000	0.000
332	A	388	THR	0	0.003	0.010	25.430	-0.005	-0.005	0.000	0.000	0.000	0.000
333	A	389	ASN	0	-0.001	-0.002	19.228	0.060	0.060	0.000	0.000	0.000	0.000
334	A	390	LEU	0	0.031	0.018	21.059	0.041	0.041	0.000	0.000	0.000	0.000
335	A	391	THR	0	0.078	0.045	23.523	-0.041	-0.041	0.000	0.000	0.000	0.000
336	A	392	GLN	0	0.040	0.007	26.120	0.002	0.002	0.000	0.000	0.000	0.000
337	A	393	ASN	0	-0.016	-0.016	27.577	0.013	0.013	0.000	0.000	0.000	0.000
338	A	394	MET	0	0.039	0.039	20.214	-0.002	-0.002	0.000	0.000	0.000	0.000
339	A	395	ALA	0	0.015	0.016	25.954	0.000	0.000	0.000	0.000	0.000	0.000
340	A	396	ARG	1	0.844	0.897	27.631	-0.201	-0.201	0.000	0.000	0.000	0.000
341	A	397	GLN	0	0.004	-0.017	26.369	0.006	0.006	0.000	0.000	0.000	0.000
342	A	398	LEU	0	0.015	0.013	22.930	0.003	0.003	0.000	0.000	0.000	0.000
343	A	399	ASP	-1	-0.774	-0.888	27.148	0.205	0.205	0.000	0.000	0.000	0.000
344	A	400	ILE	0	-0.015	-0.002	30.557	-0.017	-0.017	0.000	0.000	0.000	0.000
345	A	401	ALA	0	-0.014	-0.007	27.298	-0.012	-0.012	0.000	0.000	0.000	0.000
346	A	402	LEU	0	-0.017	-0.004	28.431	-0.011	-0.011	0.000	0.000	0.000	0.000
347	A	403	ASN	0	0.037	-0.018	29.933	-0.023	-0.023	0.000	0.000	0.000	0.000
348	A	404	ASP	-1	-0.794	-0.890	31.933	0.182	0.182	0.000	0.000	0.000	0.000
349	A	405	TYR	0	-0.043	-0.061	28.952	-0.011	-0.011	0.000	0.000	0.000	0.000
350	A	406	LEU	0	-0.019	-0.017	31.612	-0.013	-0.013	0.000	0.000	0.000	0.000
351	A	407	LEU	0	-0.089	-0.021	34.373	-0.011	-0.011	0.000	0.000	0.000	0.000
352	A	408	TYR	0	-0.002	0.009	32.731	-0.002	-0.002	0.000	0.000	0.000	0.000
353	A	409	MET	0	-0.079	-0.043	35.847	-0.009	-0.009	0.000	0.000	0.000	0.000
354	A	410	TYR	0	0.005	0.000	31.992	-0.006	-0.006	0.000	0.000	0.000	0.000
355	A	411	ASN	0	-0.014	-0.004	37.584	-0.007	-0.007	0.000	0.000	0.000	0.000
356	A	412	THR	0	-0.034	-0.029	39.635	0.002	0.002	0.000	0.000	0.000	0.000
357	A	413	ARG	1	0.997	1.001	41.590	-0.056	-0.056	0.000	0.000	0.000	0.000
358	A	414	VAL	0	0.017	0.014	40.395	-0.005	-0.005	0.000	0.000	0.000	0.000
359	A	415	GLN	0	-0.036	-0.032	43.529	-0.003	-0.003	0.000	0.000	0.000	0.000
360	A	416	VAL	0	0.027	0.021	41.672	0.002	0.002	0.000	0.000	0.000	0.000
361	A	417	ASN	0	-0.015	0.005	44.035	-0.002	-0.002	0.000	0.000	0.000	0.000
362	A	418	TYR	0	0.025	-0.006	41.361	0.004	0.004	0.000	0.000	0.000	0.000
363	A	419	GLY	0	0.051	0.047	44.187	-0.005	-0.005	0.000	0.000	0.000	0.000
364	A	420	PRO	0	-0.058	-0.035	45.761	0.001	0.001	0.000	0.000	0.000	0.000
365	A	421	THR	0	-0.021	-0.001	43.345	0.000	0.000	0.000	0.000	0.000	0.000
366	A	422	GLY	0	-0.014	-0.012	43.666	0.001	0.001	0.000	0.000	0.000	0.000
367	A	423	GLU	-1	-0.814	-0.877	38.601	0.164	0.164	0.000	0.000	0.000	0.000
368	A	424	PRO	0	-0.034	-0.010	35.375	-0.004	-0.004	0.000	0.000	0.000	0.000
369	A	425	LEU	0	-0.010	-0.009	33.091	0.003	0.003	0.000	0.000	0.000	0.000
370	A	426	ASP	-1	-0.753	-0.858	37.465	0.109	0.109	0.000	0.000	0.000	0.000
371	A	427	PHE	0	-0.025	-0.004	36.314	-0.008	-0.008	0.000	0.000	0.000	0.000
372	A	428	GLN	0	0.074	0.033	40.210	0.000	0.000	0.000	0.000	0.000	0.000
373	A	429	ILE	0	-0.100	-0.037	37.535	-0.004	-0.004	0.000	0.000	0.000	0.000
374	A	430	GLY	0	0.006	-0.015	41.350	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	431	ARG	1	0.907	0.985	42.786	-0.047	-0.047	0.000	0.000	0.000	0.000
376	A	432	ASN	0	0.005	-0.025	42.368	-0.005	-0.005	0.000	0.000	0.000	0.000
377	A	433	GLN	0	-0.054	-0.018	43.167	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	434	TYR	0	0.018	-0.006	35.638	0.003	0.003	0.000	0.000	0.000	0.000
379	A	435	ASP	-1	-0.908	-0.973	39.108	0.100	0.100	0.000	0.000	0.000	0.000
380	A	436	CYS	0	-0.041	-0.016	35.881	0.003	0.003	0.000	0.000	0.000	0.000
381	A	437	ASN	0	0.057	0.033	36.401	0.010	0.010	0.000	0.000	0.000	0.000
382	A	438	VAL	0	-0.024	-0.012	35.435	0.006	0.006	0.000	0.000	0.000	0.000
383	A	439	PHE	0	-0.010	-0.023	30.172	0.008	0.008	0.000	0.000	0.000	0.000
384	A	440	ARG	1	0.841	0.921	32.617	-0.126	-0.126	0.000	0.000	0.000	0.000
385	A	441	ALA	0	-0.016	-0.016	30.997	0.003	0.003	0.000	0.000	0.000	0.000
386	A	442	ASP	-1	-0.868	-0.903	32.336	0.148	0.148	0.000	0.000	0.000	0.000
387	A	443	PHE	0	-0.003	-0.015	27.170	0.000	0.000	0.000	0.000	0.000	0.000
388	A	444	ALA	0	0.026	0.019	31.822	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	445	THR	0	-0.041	-0.028	34.282	-0.013	-0.013	0.000	0.000	0.000	0.000
390	A	446	GLY	0	-0.060	-0.043	30.388	-0.006	-0.006	0.000	0.000	0.000	0.000
391	A	447	THR	0	-0.065	-0.055	30.585	0.007	0.007	0.000	0.000	0.000	0.000
392	A	448	GLY	0	0.086	0.077	31.345	-0.006	-0.006	0.000	0.000	0.000	0.000
393	A	449	TYR	0	-0.126	-0.111	25.223	0.005	0.005	0.000	0.000	0.000	0.000
394	A	450	ASN	0	0.034	-0.013	21.590	-0.039	-0.039	0.000	0.000	0.000	0.000
395	A	451	GLY	0	0.030	0.036	25.700	0.004	0.004	0.000	0.000	0.000	0.000
396	A	452	TRP	0	0.026	0.005	27.304	-0.019	-0.019	0.000	0.000	0.000	0.000
397	A	453	ALA	0	-0.027	0.011	30.745	-0.004	-0.004	0.000	0.000	0.000	0.000
398	A	454	THR	0	-0.036	-0.014	28.172	-0.015	-0.015	0.000	0.000	0.000	0.000
399	A	455	ILE	0	0.007	0.016	30.347	0.008	0.008	0.000	0.000	0.000	0.000
400	A	456	ASP	-1	-0.763	-0.900	24.778	0.153	0.153	0.000	0.000	0.000	0.000
401	A	457	VAL	0	0.024	0.027	26.478	0.003	0.003	0.000	0.000	0.000	0.000
402	A	458	GLU	-1	-0.819	-0.854	28.422	0.034	0.034	0.000	0.000	0.000	0.000
403	A	459	TYR	0	0.026	-0.027	29.409	0.006	0.006	0.000	0.000	0.000	0.000
404	A	460	ARG	1	0.807	0.923	24.832	-0.012	-0.012	0.000	0.000	0.000	0.000
405	A	461	ASP	-1	-0.900	-0.952	30.638	0.032	0.032	0.000	0.000	0.000	0.000
406	A	462	PRO	0	0.007	0.013	32.351	0.003	0.003	0.000	0.000	0.000	0.000
407	A	463	ALA	0	0.007	-0.006	27.344	-0.007	-0.007	0.000	0.000	0.000	0.000
408	A	464	PRO	0	-0.015	-0.008	25.814	0.004	0.004	0.000	0.000	0.000	0.000
409	A	465	TYR	0	-0.046	-0.046	23.805	0.007	0.007	0.000	0.000	0.000	0.000
410	A	466	VAL	0	-0.009	0.005	28.920	0.001	0.001	0.000	0.000	0.000	0.000
411	A	467	HIS	0	-0.007	0.025	26.905	-0.012	-0.012	0.000	0.000	0.000	0.000
412	A	468	ALA	0	-0.037	-0.047	28.271	0.006	0.006	0.000	0.000	0.000	0.000
413	A	469	GLN	0	0.008	0.016	28.026	0.018	0.018	0.000	0.000	0.000	0.000
414	A	470	ARG	1	0.812	0.885	23.738	-0.164	-0.164	0.000	0.000	0.000	0.000
415	A	471	TYR	0	-0.131	-0.123	24.808	-0.008	-0.008	0.000	0.000	0.000	0.000
416	A	472	ILE	0	0.041	0.022	21.772	-0.005	-0.005	0.000	0.000	0.000	0.000
417	A	473	ARG	1	0.722	0.859	22.180	-0.057	-0.057	0.000	0.000	0.000	0.000
418	A	474	TYR	0	-0.028	-0.046	18.292	-0.014	-0.014	0.000	0.000	0.000	0.000
419	A	475	CYS	0	-0.035	-0.028	22.569	-0.015	-0.015	0.000	0.000	0.000	0.000
420	A	476	GLY	0	0.024	0.022	25.236	-0.016	-0.016	0.000	0.000	0.000	0.000
421	A	477	ILE	0	-0.038	-0.013	21.132	-0.021	-0.021	0.000	0.000	0.000	0.000
422	A	478	ASP	-1	-0.750	-0.851	23.284	0.019	0.019	0.000	0.000	0.000	0.000
423	A	479	SER	0	-0.040	-0.026	19.967	-0.019	-0.019	0.000	0.000	0.000	0.000
424	A	480	ARG	1	0.863	0.922	21.826	0.028	0.028	0.000	0.000	0.000	0.000
425	A	481	GLU	-1	-0.855	-0.917	22.163	-0.092	-0.092	0.000	0.000	0.000	0.000
426	A	482	LEU	0	0.015	0.010	17.769	-0.002	-0.002	0.000	0.000	0.000	0.000
427	A	483	ILE	0	-0.010	0.000	15.829	0.007	0.007	0.000	0.000	0.000	0.000
428	A	484	ASN	0	-0.034	0.011	17.261	-0.012	-0.012	0.000	0.000	0.000	0.000
429	A	485	PRO	0	0.053	0.031	14.204	-0.042	-0.042	0.000	0.000	0.000	0.000
430	A	486	THR	0	-0.028	-0.037	17.136	0.027	0.027	0.000	0.000	0.000	0.000
431	A	487	THR	0	-0.018	-0.014	19.556	0.037	0.037	0.000	0.000	0.000	0.000
432	A	488	TYR	0	-0.001	-0.031	20.204	-0.012	-0.012	0.000	0.000	0.000	0.000
433	A	489	GLY	0	0.015	0.016	21.134	0.024	0.024	0.000	0.000	0.000	0.000
434	A	490	ILE	0	-0.011	-0.025	21.966	0.008	0.008	0.000	0.000	0.000	0.000
435	A	491	GLY	0	0.015	0.018	25.597	0.014	0.014	0.000	0.000	0.000	0.000
436	A	492	MET	0	-0.031	-0.008	24.092	0.002	0.002	0.000	0.000	0.000	0.000
437	A	493	THR	0	0.035	0.004	26.657	0.014	0.014	0.000	0.000	0.000	0.000
438	A	494	TYR	0	0.043	-0.003	22.259	-0.005	-0.005	0.000	0.000	0.000	0.000
439	A	495	HIS	0	-0.015	0.016	27.587	0.002	0.002	0.000	0.000	0.000	0.000
440	A	496	CYS	0	0.036	0.025	27.979	0.002	0.002	0.000	0.000	0.000	0.000
441	A	497	TYR	0	0.020	-0.027	22.249	0.006	0.006	0.000	0.000	0.000	0.000
442	A	498	ASN	0	-0.055	-0.037	27.486	-0.012	-0.012	0.000	0.000	0.000	0.000
443	A	499	GLU	-1	-0.831	-0.893	30.604	0.076	0.076	0.000	0.000	0.000	0.000
444	A	500	MET	0	0.014	0.010	27.745	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	501	LEU	0	-0.038	-0.018	27.198	-0.003	-0.003	0.000	0.000	0.000	0.000
446	A	502	ARG	1	0.805	0.917	31.102	-0.069	-0.069	0.000	0.000	0.000	0.000
447	A	503	MET	0	0.021	0.020	32.099	-0.003	-0.003	0.000	0.000	0.000	0.000
448	A	504	LEU	0	-0.016	-0.025	29.083	0.001	0.001	0.000	0.000	0.000	0.000
449	A	505	VAL	0	-0.069	-0.031	32.870	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	506	ALA	0	-0.055	-0.020	35.650	-0.003	-0.003	0.000	0.000	0.000	0.000
451	A	507	ALA	0	-0.004	0.005	35.797	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	508	GLY	0	-0.001	-0.022	35.694	-0.003	-0.003	0.000	0.000	0.000	0.000
453	A	509	LYS	1	0.795	0.899	30.918	-0.139	-0.139	0.000	0.000	0.000	0.000
454	A	510	ASP	-1	-0.781	-0.880	32.772	0.058	0.058	0.000	0.000	0.000	0.000
455	A	511	SER	0	-0.024	-0.019	30.878	0.003	0.003	0.000	0.000	0.000	0.000
456	A	512	GLU	-1	-0.695	-0.852	28.017	0.132	0.132	0.000	0.000	0.000	0.000
457	A	513	ALA	0	0.043	0.038	27.350	0.007	0.007	0.000	0.000	0.000	0.000
458	A	514	ALA	0	-0.053	-0.038	28.710	-0.006	-0.006	0.000	0.000	0.000	0.000
459	A	515	TYR	0	-0.007	-0.006	19.355	-0.022	-0.022	0.000	0.000	0.000	0.000
460	A	516	PHE	0	0.045	0.015	22.471	-0.002	-0.002	0.000	0.000	0.000	0.000
461	A	517	ARG	1	0.943	0.993	24.876	-0.039	-0.039	0.000	0.000	0.000	0.000
462	A	518	SER	0	-0.022	-0.014	24.145	-0.006	-0.006	0.000	0.000	0.000	0.000
463	A	519	MET	0	-0.020	0.009	18.534	-0.034	-0.034	0.000	0.000	0.000	0.000
464	A	520	LEU	0	-0.013	0.008	20.379	-0.003	-0.003	0.000	0.000	0.000	0.000
465	A	521	PRO	0	0.063	0.028	20.393	0.005	0.005	0.000	0.000	0.000	0.000
466	A	522	PHE	0	-0.031	-0.025	12.482	-0.004	-0.004	0.000	0.000	0.000	0.000
467	A	523	HIS	0	0.010	0.021	16.141	0.030	0.030	0.000	0.000	0.000	0.000
468	A	524	MET	0	0.017	0.004	18.262	0.033	0.033	0.000	0.000	0.000	0.000
469	A	525	VAL	0	-0.055	-0.022	14.853	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	526	ARG	1	0.828	0.921	13.437	-0.337	-0.337	0.000	0.000	0.000	0.000
471	A	527	PHE	0	0.001	-0.007	14.569	0.034	0.034	0.000	0.000	0.000	0.000
472	A	528	ALA	0	-0.011	0.009	17.449	0.003	0.003	0.000	0.000	0.000	0.000
473	A	529	ARG	1	0.799	0.875	11.446	0.411	0.411	0.000	0.000	0.000	0.000
474	A	530	ILE	0	0.026	0.016	13.547	-0.005	-0.005	0.000	0.000	0.000	0.000
475	A	531	ASN	0	0.029	0.028	15.211	0.032	0.032	0.000	0.000	0.000	0.000
476	A	532	GLN	0	-0.029	-0.008	15.878	-0.034	-0.034	0.000	0.000	0.000	0.000
477	A	533	ILE	0	0.017	0.013	10.878	-0.012	-0.012	0.000	0.000	0.000	0.000
478	A	534	ILE	0	-0.023	-0.003	14.712	0.003	0.003	0.000	0.000	0.000	0.000
479	A	535	ASN	0	0.016	0.003	17.340	-0.011	-0.011	0.000	0.000	0.000	0.000
480	A	536	GLU	-1	-0.888	-0.925	18.052	-0.134	-0.134	0.000	0.000	0.000	0.000
481	A	537	ASP	-1	-0.792	-0.886	13.756	-0.166	-0.166	0.000	0.000	0.000	0.000
482	A	538	LEU	0	-0.031	-0.021	13.707	0.000	0.000	0.000	0.000	0.000	0.000
483	A	539	HIS	0	-0.024	-0.001	17.471	0.033	0.033	0.000	0.000	0.000	0.000
484	A	540	SER	0	0.029	-0.018	20.248	-0.029	-0.029	0.000	0.000	0.000	0.000
485	A	541	VAL	0	-0.029	0.006	22.414	0.015	0.015	0.000	0.000	0.000	0.000
486	A	542	PHE	0	0.026	-0.005	21.377	0.008	0.008	0.000	0.000	0.000	0.000
487	A	543	SER	0	-0.085	-0.013	20.914	0.031	0.031	0.000	0.000	0.000	0.000
488	A	544	LEU	0	0.003	-0.012	22.284	-0.019	-0.019	0.000	0.000	0.000	0.000
489	A	545	PRO	0	0.055	0.014	25.169	-0.010	-0.010	0.000	0.000	0.000	0.000
490	A	546	ASP	-1	-0.687	-0.818	28.580	0.137	0.137	0.000	0.000	0.000	0.000
491	A	547	ASP	-1	-0.983	-0.982	29.982	0.130	0.130	0.000	0.000	0.000	0.000
492	A	548	MET	0	0.018	0.006	29.310	0.009	0.009	0.000	0.000	0.000	0.000
493	A	549	PHE	0	-0.019	-0.005	23.390	0.018	0.018	0.000	0.000	0.000	0.000
494	A	550	ASN	0	-0.044	-0.047	28.162	0.018	0.018	0.000	0.000	0.000	0.000
495	A	551	ALA	0	0.019	0.016	31.104	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	552	LEU	0	-0.007	0.008	25.263	0.007	0.007	0.000	0.000	0.000	0.000
497	A	553	LEU	0	0.002	0.009	28.945	0.007	0.007	0.000	0.000	0.000	0.000
498	A	554	PRO	0	-0.020	-0.015	30.038	0.002	0.002	0.000	0.000	0.000	0.000
499	A	555	ASP	-1	-0.873	-0.931	32.234	0.164	0.164	0.000	0.000	0.000	0.000
500	A	556	LEU	0	-0.043	-0.009	28.160	0.006	0.006	0.000	0.000	0.000	0.000
501	A	557	ILE	0	-0.099	-0.056	31.408	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	558	ALA	0	-0.034	-0.014	34.100	-0.004	-0.004	0.000	0.000	0.000	0.000
503	A	559	GLY	0	-0.034	0.007	34.375	-0.007	-0.007	0.000	0.000	0.000	0.000
504	A	560	ALA	0	-0.076	-0.049	35.092	0.005	0.005	0.000	0.000	0.000	0.000
505	A	561	HIS	0	0.008	-0.009	29.809	-0.003	-0.003	0.000	0.000	0.000	0.000
506	A	562	GLN	0	-0.029	-0.021	33.341	-0.015	-0.015	0.000	0.000	0.000	0.000
507	A	563	ASN	0	-0.031	0.003	30.412	0.025	0.025	0.000	0.000	0.000	0.000
508	A	564	ALA	0	0.036	0.004	28.167	-0.011	-0.011	0.000	0.000	0.000	0.000
509	A	565	ASP	-1	-0.909	-0.945	26.655	0.264	0.264	0.000	0.000	0.000	0.000
510	A	566	PRO	0	0.008	0.025	23.875	0.021	0.021	0.000	0.000	0.000	0.000
511	A	567	VAL	0	-0.045	-0.031	18.605	0.009	0.009	0.000	0.000	0.000	0.000
512	A	568	VAL	0	0.031	0.013	21.076	0.017	0.017	0.000	0.000	0.000	0.000
513	A	569	LEU	0	-0.071	-0.025	14.595	0.085	0.085	0.000	0.000	0.000	0.000
514	A	570	ASP	-1	-0.840	-0.914	18.399	0.566	0.566	0.000	0.000	0.000	0.000
515	A	571	VAL	0	-0.001	-0.005	15.603	0.136	0.136	0.000	0.000	0.000	0.000
516	A	572	SER	0	-0.002	-0.011	15.585	-0.131	-0.131	0.000	0.000	0.000	0.000
517	A	573	TRP	0	-0.004	-0.001	17.640	0.007	0.007	0.000	0.000	0.000	0.000
518	A	574	ILE	0	0.041	0.005	16.287	-0.023	-0.023	0.000	0.000	0.000	0.000
519	A	575	SER	0	-0.022	-0.018	13.337	-0.003	-0.003	0.000	0.000	0.000	0.000
520	A	576	LEU	0	0.030	0.013	14.326	0.039	0.039	0.000	0.000	0.000	0.000
521	A	577	TRP	0	0.042	0.018	16.766	-0.047	-0.047	0.000	0.000	0.000	0.000
522	A	578	PHE	0	-0.005	-0.025	11.807	-0.027	-0.027	0.000	0.000	0.000	0.000
523	A	579	ALA	0	0.031	0.028	12.118	0.018	0.018	0.000	0.000	0.000	0.000
524	A	580	PHE	0	0.026	0.014	13.170	-0.097	-0.097	0.000	0.000	0.000	0.000
525	A	581	ASN	0	-0.029	-0.012	14.380	-0.112	-0.112	0.000	0.000	0.000	0.000
526	A	582	ARG	1	0.926	0.947	8.038	-0.726	-0.726	0.000	0.000	0.000	0.000
527	A	583	SER	0	0.002	0.050	10.808	0.125	0.125	0.000	0.000	0.000	0.000
528	A	584	PHE	0	0.028	-0.005	5.219	-0.024	-0.024	0.000	0.000	0.000	0.000
529	A	585	GLU	-1	-0.806	-0.891	7.505	-0.709	-0.709	0.000	0.000	0.000	0.000
530	A	586	PRO	0	-0.005	-0.010	6.182	-0.401	-0.401	0.000	0.000	0.000	0.000
531	A	587	THR	0	0.040	0.015	3.695	-0.514	-0.193	0.007	-0.087	-0.241	0.000
532	A	588	HIS	0	0.007	0.000	4.580	0.155	0.228	-0.001	-0.003	-0.069	0.000
533	A	589	ARG	1	0.766	0.861	7.601	0.279	0.279	0.000	0.000	0.000	0.000
534	A	590	ASN	0	0.054	0.047	10.298	-0.131	-0.131	0.000	0.000	0.000	0.000
535	A	591	GLU	-1	-0.915	-1.005	11.362	-0.537	-0.537	0.000	0.000	0.000	0.000
536	A	592	MET	0	-0.023	-0.003	14.077	0.013	0.013	0.000	0.000	0.000	0.000
537	A	593	LEU	0	-0.023	-0.004	14.367	0.027	0.027	0.000	0.000	0.000	0.000
538	A	594	GLU	-1	-0.795	-0.884	17.236	-0.263	-0.263	0.000	0.000	0.000	0.000
539	A	595	ILE	0	0.017	-0.001	19.724	0.020	0.020	0.000	0.000	0.000	0.000
540	A	596	ALA	0	-0.010	-0.001	19.259	0.020	0.020	0.000	0.000	0.000	0.000
541	A	597	PRO	0	0.037	0.029	21.304	0.020	0.020	0.000	0.000	0.000	0.000
542	A	598	LEU	0	-0.033	-0.004	24.559	0.010	0.010	0.000	0.000	0.000	0.000
543	A	599	ILE	0	0.035	-0.001	21.504	0.009	0.009	0.000	0.000	0.000	0.000
544	A	600	GLU	-1	-0.804	-0.885	23.352	0.066	0.066	0.000	0.000	0.000	0.000
545	A	601	SER	0	-0.016	-0.014	26.111	0.013	0.013	0.000	0.000	0.000	0.000
546	A	602	VAL	0	-0.012	-0.003	28.134	0.004	0.004	0.000	0.000	0.000	0.000
547	A	603	TYR	0	0.015	0.004	27.456	0.005	0.005	0.000	0.000	0.000	0.000
548	A	604	ALA	0	0.011	-0.001	29.493	0.003	0.003	0.000	0.000	0.000	0.000
549	A	605	SER	0	-0.031	-0.007	31.667	0.000	0.000	0.000	0.000	0.000	0.000
550	A	606	GLU	-1	-0.776	-0.884	32.846	0.035	0.035	0.000	0.000	0.000	0.000
551	A	607	LEU	0	-0.021	-0.005	30.754	0.003	0.003	0.000	0.000	0.000	0.000
552	A	608	SER	0	-0.043	-0.028	34.798	0.000	0.000	0.000	0.000	0.000	0.000
553	A	609	VAL	0	0.011	0.007	37.657	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	610	MET	0	0.009	0.011	35.429	0.001	0.001	0.000	0.000	0.000	0.000
555	A	611	LYS	1	0.734	0.868	37.012	-0.076	-0.076	0.000	0.000	0.000	0.000
556	A	612	VAL	0	0.035	0.009	40.723	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	613	ASP	-1	-0.761	-0.832	42.181	0.042	0.042	0.000	0.000	0.000	0.000
558	A	614	MET	0	-0.024	-0.022	39.113	0.001	0.001	0.000	0.000	0.000	0.000
559	A	615	ARG	1	0.832	0.915	42.773	-0.055	-0.055	0.000	0.000	0.000	0.000
560	A	616	HIS	0	-0.020	0.000	46.713	-0.003	-0.003	0.000	0.000	0.000	0.000
561	A	617	LEU	0	0.007	-0.007	45.860	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	618	SER	0	-0.072	-0.029	47.722	0.000	0.000	0.000	0.000	0.000	0.000
563	A	619	LEU	0	-0.008	-0.008	49.542	0.000	0.000	0.000	0.000	0.000	0.000
564	A	620	MET	0	-0.024	-0.013	52.048	-0.003	-0.003	0.000	0.000	0.000	0.000
565	A	621	GLN	0	-0.061	-0.013	53.764	0.000	0.000	0.000	0.000	0.000	0.000
566	A	622	ARG	1	0.926	0.951	55.495	-0.041	-0.041	0.000	0.000	0.000	0.000
567	A	623	ARG	1	0.793	0.920	56.410	-0.031	-0.031	0.000	0.000	0.000	0.000
568	A	624	PHE	0	0.024	0.003	56.909	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	625	PRO	0	0.017	0.007	58.586	0.002	0.002	0.000	0.000	0.000	0.000
570	A	626	ASP	-1	-0.906	-0.962	60.257	0.035	0.035	0.000	0.000	0.000	0.000
571	A	627	VAL	0	-0.019	-0.003	57.566	0.000	0.000	0.000	0.000	0.000	0.000
572	A	628	LEU	0	-0.054	-0.016	53.545	0.002	0.002	0.000	0.000	0.000	0.000
573	A	629	ILE	0	0.074	0.038	56.798	0.002	0.002	0.000	0.000	0.000	0.000
574	A	630	GLN	0	-0.044	-0.038	55.460	0.001	0.001	0.000	0.000	0.000	0.000
575	A	631	ALA	0	-0.014	0.021	52.490	0.003	0.003	0.000	0.000	0.000	0.000
576	A	632	ARG	1	0.972	0.974	49.583	-0.062	-0.062	0.000	0.000	0.000	0.000
577	A	633	PRO	0	0.043	0.007	46.383	0.000	0.000	0.000	0.000	0.000	0.000
578	A	634	SER	0	0.002	-0.012	44.240	0.000	0.000	0.000	0.000	0.000	0.000
579	A	635	HIS	0	0.025	0.009	44.403	0.000	0.000	0.000	0.000	0.000	0.000
580	A	636	PHE	0	0.035	0.023	45.379	0.001	0.001	0.000	0.000	0.000	0.000
581	A	637	TRP	0	0.046	0.016	37.118	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	638	LYS	1	0.797	0.902	41.039	-0.075	-0.075	0.000	0.000	0.000	0.000
583	A	639	ALA	0	0.038	0.013	41.565	0.000	0.000	0.000	0.000	0.000	0.000
584	A	640	VAL	0	0.038	0.021	39.835	-0.002	-0.002	0.000	0.000	0.000	0.000
585	A	641	LEU	0	-0.039	-0.016	36.043	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	642	ASN	0	-0.037	-0.021	37.701	0.003	0.003	0.000	0.000	0.000	0.000
587	A	643	ASP	-1	-0.892	-0.931	39.318	0.042	0.042	0.000	0.000	0.000	0.000
588	A	644	SER	0	-0.055	-0.028	36.687	-0.003	-0.003	0.000	0.000	0.000	0.000
589	A	645	PRO	0	0.047	-0.002	32.966	0.005	0.005	0.000	0.000	0.000	0.000
590	A	646	GLU	-1	-0.912	-0.973	31.339	0.087	0.087	0.000	0.000	0.000	0.000
591	A	647	ALA	0	0.027	0.033	27.447	0.014	0.014	0.000	0.000	0.000	0.000
592	A	648	VAL	0	0.022	0.001	27.750	0.015	0.015	0.000	0.000	0.000	0.000
593	A	649	LYS	1	0.854	0.942	29.316	-0.065	-0.065	0.000	0.000	0.000	0.000
594	A	650	ALA	0	-0.001	0.009	26.102	0.016	0.016	0.000	0.000	0.000	0.000
595	A	651	VAL	0	0.050	0.023	24.509	0.024	0.024	0.000	0.000	0.000	0.000
596	A	652	MET	0	-0.008	0.003	25.912	0.019	0.019	0.000	0.000	0.000	0.000
597	A	653	ASN	0	-0.027	-0.035	28.171	0.012	0.012	0.000	0.000	0.000	0.000
598	A	654	LEU	0	0.012	0.044	21.652	0.016	0.016	0.000	0.000	0.000	0.000
599	A	655	SER	0	0.029	0.015	25.158	0.018	0.018	0.000	0.000	0.000	0.000
600	A	656	HIS	1	0.834	0.911	27.130	-0.182	-0.182	0.000	0.000	0.000	0.000
601	A	657	SER	0	-0.057	-0.025	27.475	-0.004	-0.004	0.000	0.000	0.000	0.000
602	A	658	HIS	0	0.020	0.014	25.380	-0.014	-0.014	0.000	0.000	0.000	0.000
603	A	659	ASN	0	0.011	-0.014	28.545	-0.016	-0.016	0.000	0.000	0.000	0.000
604	A	660	PHE	0	-0.037	0.005	31.129	-0.013	-0.013	0.000	0.000	0.000	0.000
605	A	661	ILE	0	-0.023	-0.006	33.126	-0.003	-0.003	0.000	0.000	0.000	0.000
606	A	662	ASN	0	0.012	0.006	36.409	-0.010	-0.010	0.000	0.000	0.000	0.000
607	A	663	ILE	0	0.067	0.020	40.189	-0.002	-0.002	0.000	0.000	0.000	0.000
608	A	664	ARG	1	0.936	0.958	42.562	-0.090	-0.090	0.000	0.000	0.000	0.000
609	A	665	ASP	-1	-0.867	-0.932	37.678	0.127	0.127	0.000	0.000	0.000	0.000
610	A	666	MET	0	-0.011	0.004	36.490	0.002	0.002	0.000	0.000	0.000	0.000
611	A	667	MET	0	0.012	0.002	40.027	-0.005	-0.005	0.000	0.000	0.000	0.000
612	A	668	ARG	1	0.953	0.986	39.225	-0.116	-0.116	0.000	0.000	0.000	0.000
613	A	669	TRP	0	0.055	0.011	34.956	-0.004	-0.004	0.000	0.000	0.000	0.000
614	A	670	VAL	0	0.005	0.003	39.153	-0.004	-0.004	0.000	0.000	0.000	0.000
615	A	671	LEU	0	-0.021	-0.023	41.606	-0.006	-0.006	0.000	0.000	0.000	0.000
616	A	672	LEU	0	-0.009	0.022	37.802	-0.004	-0.004	0.000	0.000	0.000	0.000
617	A	673	PRO	0	-0.061	-0.016	40.985	-0.002	-0.002	0.000	0.000	0.000	0.000
618	A	674	SER	0	0.061	0.012	37.140	0.000	0.000	0.000	0.000	0.000	0.000
619	A	675	LEU	0	-0.048	-0.028	37.875	0.005	0.005	0.000	0.000	0.000	0.000
620	A	676	GLN	0	0.009	0.024	32.903	-0.005	-0.005	0.000	0.000	0.000	0.000
621	A	677	PRO	0	-0.022	-0.005	36.259	0.001	0.001	0.000	0.000	0.000	0.000
622	A	678	SER	0	0.064	0.018	35.846	-0.003	-0.003	0.000	0.000	0.000	0.000
623	A	679	LEU	0	0.043	0.021	37.753	0.001	0.001	0.000	0.000	0.000	0.000
624	A	680	LYS	1	0.780	0.864	35.565	-0.021	-0.021	0.000	0.000	0.000	0.000
625	A	681	LEU	0	-0.008	0.014	38.873	0.001	0.001	0.000	0.000	0.000	0.000
626	A	682	VAL	0	0.028	0.010	40.776	0.001	0.001	0.000	0.000	0.000	0.000
627	A	683	LEU	0	0.012	0.002	43.454	0.000	0.000	0.000	0.000	0.000	0.000
628	A	684	GLU	-1	-0.764	-0.856	41.812	0.028	0.028	0.000	0.000	0.000	0.000
629	A	685	GLU	-1	-0.889	-0.928	44.762	0.024	0.024	0.000	0.000	0.000	0.000
630	A	686	GLU	-1	-0.874	-0.968	46.428	0.012	0.012	0.000	0.000	0.000	0.000
631	A	687	ALA	0	-0.033	-0.004	47.943	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	688	TRP	0	-0.035	-0.051	45.510	0.000	0.000	0.000	0.000	0.000	0.000
633	A	689	ALA	0	-0.015	0.014	50.298	0.001	0.001	0.000	0.000	0.000	0.000
634	A	690	ALA	0	-0.012	-0.016	52.919	0.000	0.000	0.000	0.000	0.000	0.000
635	A	691	ALA	0	-0.025	-0.002	52.461	0.000	0.000	0.000	0.000	0.000	0.000
636	A	692	ASN	0	-0.029	-0.021	54.547	0.003	0.003	0.000	0.000	0.000	0.000
637	A	693	ASP	-1	-0.728	-0.862	56.407	0.018	0.018	0.000	0.000	0.000	0.000
638	A	694	PHE	0	0.024	-0.011	54.581	0.001	0.001	0.000	0.000	0.000	0.000
639	A	695	GLU	-1	-0.784	-0.890	59.436	0.017	0.017	0.000	0.000	0.000	0.000
640	A	696	ASP	-1	-0.842	-0.899	58.585	0.013	0.013	0.000	0.000	0.000	0.000
641	A	697	LEU	0	-0.047	-0.009	54.656	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	698	MET	0	-0.034	0.003	57.973	0.000	0.000	0.000	0.000	0.000	0.000
643	A	699	LEU	0	-0.028	-0.022	57.382	0.001	0.001	0.000	0.000	0.000	0.000
644	A	700	THR	0	-0.003	0.002	61.736	0.001	0.001	0.000	0.000	0.000	0.000
645	A	701	ASP	-1	-0.767	-0.857	64.788	0.025	0.025	0.000	0.000	0.000	0.000
646	A	702	GLN	0	-0.030	0.009	66.521	0.000	0.000	0.000	0.000	0.000	0.000
647	A	703	VAL	0	0.007	0.004	68.322	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	704	TYR	0	-0.032	-0.030	71.278	0.001	0.001	0.000	0.000	0.000	0.000
649	A	705	MET	0	-0.062	-0.035	74.901	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	706	HIS	1	0.810	0.865	77.543	-0.013	-0.013	0.000	0.000	0.000	0.000
651	A	707	ARG	1	0.895	0.939	81.104	-0.014	-0.014	0.000	0.000	0.000	0.000
652	A	708	ASP	-1	-0.794	-0.860	81.820	0.012	0.012	0.000	0.000	0.000	0.000
653	A	709	MET	0	-0.007	0.003	83.896	0.000	0.000	0.000	0.000	0.000	0.000
654	A	710	LEU	0	-0.017	0.005	81.354	0.000	0.000	0.000	0.000	0.000	0.000
655	A	711	PRO	0	-0.030	-0.014	83.559	0.000	0.000	0.000	0.000	0.000	0.000
656	A	712	GLU	-1	-0.768	-0.870	86.602	0.007	0.007	0.000	0.000	0.000	0.000
657	A	713	PRO	0	-0.069	-0.030	87.697	0.000	0.000	0.000	0.000	0.000	0.000
658	A	714	ARG	1	0.863	0.931	90.726	-0.004	-0.004	0.000	0.000	0.000	0.000
659	A	715	LEU	0	-0.001	-0.006	90.165	0.000	0.000	0.000	0.000	0.000	0.000
660	A	716	ASP	-1	-0.862	-0.926	94.152	0.002	0.002	0.000	0.000	0.000	0.000
661	A	717	ASP	-1	-0.863	-0.939	95.164	0.000	0.000	0.000	0.000	0.000	0.000
662	A	718	ILE	0	0.034	0.004	91.300	0.000	0.000	0.000	0.000	0.000	0.000
663	A	719	GLU	-1	-0.856	-0.922	90.880	-0.002	-0.002	0.000	0.000	0.000	0.000
664	A	720	ARG	1	0.861	0.941	90.004	-0.002	-0.002	0.000	0.000	0.000	0.000
665	A	721	PHE	0	-0.002	-0.024	86.164	0.000	0.000	0.000	0.000	0.000	0.000
666	A	722	ARG	1	0.860	0.944	85.785	0.001	0.001	0.000	0.000	0.000	0.000
667	A	723	GLN	0	0.003	-0.035	85.076	0.000	0.000	0.000	0.000	0.000	0.000
668	A	724	GLU	-1	-0.754	-0.882	77.878	0.003	0.003	0.000	0.000	0.000	0.000
669	A	725	GLY	0	0.039	0.017	81.227	0.000	0.000	0.000	0.000	0.000	0.000
670	A	726	PHE	0	-0.078	-0.053	82.157	0.000	0.000	0.000	0.000	0.000	0.000
671	A	727	TYR	0	0.006	0.008	76.074	0.000	0.000	0.000	0.000	0.000	0.000
672	A	728	TYR	0	0.079	0.047	79.024	0.000	0.000	0.000	0.000	0.000	0.000
673	A	729	THR	0	-0.011	-0.015	73.919	0.000	0.000	0.000	0.000	0.000	0.000
674	A	730	ASN	0	-0.015	-0.012	73.571	0.000	0.000	0.000	0.000	0.000	0.000
675	A	731	MET	0	-0.030	-0.029	70.075	0.001	0.001	0.000	0.000	0.000	0.000
676	A	732	LEU	0	-0.022	0.009	73.967	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	733	GLU	-1	-0.943	-0.977	74.560	0.009	0.009	0.000	0.000	0.000	0.000
678	A	734	ALA	0	-0.020	-0.026	75.325	0.000	0.000	0.000	0.000	0.000	0.000
679	A	735	PRO	0	-0.041	-0.009	73.848	0.000	0.000	0.000	0.000	0.000	0.000
680	A	736	PRO	0	0.018	0.006	76.116	0.000	0.000	0.000	0.000	0.000	0.000
681	A	737	GLU	-1	-0.862	-0.913	78.504	0.014	0.014	0.000	0.000	0.000	0.000
682	A	738	ILE	0	0.017	-0.015	76.759	0.000	0.000	0.000	0.000	0.000	0.000
683	A	739	ASP	-1	-0.969	-0.979	79.425	0.017	0.017	0.000	0.000	0.000	0.000
684	A	740	ARG	1	0.843	0.933	82.212	-0.014	-0.014	0.000	0.000	0.000	0.000
685	A	741	VAL	0	-0.058	-0.023	76.481	0.000	0.000	0.000	0.000	0.000	0.000
686	A	742	VAL	0	-0.011	-0.010	79.340	0.001	0.001	0.000	0.000	0.000	0.000
687	A	743	GLN	0	-0.003	-0.021	70.934	0.000	0.000	0.000	0.000	0.000	0.000
688	A	744	TYR	0	-0.036	-0.028	74.517	0.000	0.000	0.000	0.000	0.000	0.000
689	A	745	THR	0	0.037	0.020	70.185	0.000	0.000	0.000	0.000	0.000	0.000
690	A	746	TYR	0	-0.035	-0.042	65.757	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	747	GLU	-1	-0.880	-0.962	69.753	0.033	0.033	0.000	0.000	0.000	0.000
692	A	748	ILE	0	0.008	0.009	73.079	0.000	0.000	0.000	0.000	0.000	0.000
693	A	749	ALA	0	0.040	0.017	74.546	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	750	ARG	1	0.876	0.953	68.415	-0.032	-0.032	0.000	0.000	0.000	0.000
695	A	751	LEU	0	0.044	0.018	75.917	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	752	GLN	0	0.066	0.046	78.984	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	753	ALA	0	0.010	0.006	78.129	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	754	ASN	0	-0.070	-0.026	79.036	0.000	0.000	0.000	0.000	0.000	0.000
699	A	755	MET	0	-0.045	-0.020	80.811	0.000	0.000	0.000	0.000	0.000	0.000
700	A	756	GLY	0	-0.003	0.011	83.230	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	757	GLN	0	-0.023	-0.031	83.821	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	758	PHE	0	-0.047	-0.007	76.328	0.000	0.000	0.000	0.000	0.000	0.000
703	A	759	ARG	1	0.983	0.981	79.979	-0.020	-0.020	0.000	0.000	0.000	0.000
704	A	760	ALA	0	0.026	0.013	83.338	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	761	ALA	0	0.004	0.010	83.003	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	762	LEU	0	0.024	0.010	78.872	0.000	0.000	0.000	0.000	0.000	0.000
707	A	763	ARG	1	0.826	0.902	82.947	-0.015	-0.015	0.000	0.000	0.000	0.000
708	A	764	ARG	1	0.968	0.986	86.090	-0.017	-0.017	0.000	0.000	0.000	0.000
709	A	765	ILE	0	0.055	0.027	81.995	0.000	0.000	0.000	0.000	0.000	0.000
710	A	766	MET	0	-0.037	0.000	81.122	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	767	ASP	-1	-0.893	-0.940	85.240	0.013	0.013	0.000	0.000	0.000	0.000
712	A	768	ASP	-1	-0.922	-0.949	87.659	0.015	0.015	0.000	0.000	0.000	0.000
713	A	769	ASP	-1	-0.928	-0.930	86.707	0.013	0.013	0.000	0.000	0.000	0.000
714	A	770	ASP	-1	-0.838	-0.942	83.962	0.016	0.016	0.000	0.000	0.000	0.000
715	A	771	TRP	0	-0.023	-0.018	78.266	0.000	0.000	0.000	0.000	0.000	0.000
716	A	772	VAL	0	0.002	0.002	77.312	0.001	0.001	0.000	0.000	0.000	0.000
717	A	773	ARG	1	0.817	0.885	68.674	-0.024	-0.024	0.000	0.000	0.000	0.000
718	A	774	PHE	0	-0.006	-0.004	71.771	0.001	0.001	0.000	0.000	0.000	0.000
719	A	775	GLY	0	-0.009	-0.002	68.520	0.000	0.000	0.000	0.000	0.000	0.000
720	A	776	GLY	0	0.055	0.018	67.164	0.000	0.000	0.000	0.000	0.000	0.000
721	A	777	VAL	0	-0.016	0.007	61.913	0.001	0.001	0.000	0.000	0.000	0.000
722	A	778	LEU	0	-0.017	-0.022	58.958	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	779	ARG	1	0.905	0.965	62.066	-0.025	-0.025	0.000	0.000	0.000	0.000
724	A	780	THR	0	0.015	0.009	59.167	0.000	0.000	0.000	0.000	0.000	0.000
725	A	781	VAL	0	0.010	0.011	61.832	0.000	0.000	0.000	0.000	0.000	0.000
726	A	782	ARG	1	0.814	0.910	59.390	-0.019	-0.019	0.000	0.000	0.000	0.000
727	A	783	VAL	0	0.028	0.010	65.088	0.000	0.000	0.000	0.000	0.000	0.000
728	A	784	LYS	1	0.910	0.969	66.674	-0.013	-0.013	0.000	0.000	0.000	0.000
729	A	785	PHE	0	0.022	0.006	67.716	0.000	0.000	0.000	0.000	0.000	0.000
730	A	786	PHE	0	-0.018	-0.023	72.034	0.000	0.000	0.000	0.000	0.000	0.000
731	A	787	ASP	-1	-0.850	-0.917	75.228	0.001	0.001	0.000	0.000	0.000	0.000
732	A	788	ALA	0	0.031	0.008	77.846	0.000	0.000	0.000	0.000	0.000	0.000
733	A	789	ARG	1	0.806	0.872	78.882	-0.008	-0.008	0.000	0.000	0.000	0.000
734	A	790	PRO	0	0.029	0.026	75.940	0.000	0.000	0.000	0.000	0.000	0.000
735	A	791	PRO	0	0.002	0.005	73.928	0.000	0.000	0.000	0.000	0.000	0.000
736	A	792	ASP	-1	-0.773	-0.877	77.061	0.010	0.010	0.000	0.000	0.000	0.000
737	A	793	ASP	-1	-0.914	-0.951	73.066	0.014	0.014	0.000	0.000	0.000	0.000
738	A	794	ILE	0	-0.073	-0.047	70.895	0.001	0.001	0.000	0.000	0.000	0.000
739	A	795	LEU	0	-0.042	0.000	74.567	0.000	0.000	0.000	0.000	0.000	0.000
740	A	796	GLN	0	-0.016	-0.025	78.086	0.000	0.000	0.000	0.000	0.000	0.000
741	A	797	GLY	0	0.052	0.048	74.361	0.001	0.001	0.000	0.000	0.000	0.000
742	A	798	LEU	0	-0.044	-0.025	75.076	0.000	0.000	0.000	0.000	0.000	0.000
743	A	799	PRO	0	0.021	0.011	71.406	0.001	0.001	0.000	0.000	0.000	0.000
744	A	800	PHE	0	-0.047	-0.040	71.123	0.001	0.001	0.000	0.000	0.000	0.000
745	A	801	SER	0	-0.018	0.015	70.798	0.000	0.000	0.000	0.000	0.000	0.000
746	A	802	TYR	0	0.011	-0.021	72.900	0.001	0.001	0.000	0.000	0.000	0.000
747	A	803	ASP	-1	-0.898	-0.930	73.583	0.022	0.022	0.000	0.000	0.000	0.000
748	A	804	THR	0	-0.030	-0.036	75.986	0.001	0.001	0.000	0.000	0.000	0.000
749	A	805	ASN	0	-0.025	-0.009	74.645	0.000	0.000	0.000	0.000	0.000	0.000
750	A	806	GLU	-1	-0.864	-0.939	77.325	0.024	0.024	0.000	0.000	0.000	0.000
751	A	807	LYS	1	0.921	0.959	71.359	-0.031	-0.031	0.000	0.000	0.000	0.000
752	A	808	GLY	0	-0.001	-0.003	77.824	0.000	0.000	0.000	0.000	0.000	0.000
753	A	809	GLY	0	0.031	0.015	79.655	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	810	LEU	0	-0.049	-0.041	77.079	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	811	SER	0	-0.012	0.036	79.098	-0.001	-0.001	0.000	0.000	0.000	0.000
756	A	812	TYR	0	-0.004	-0.006	73.364	0.000	0.000	0.000	0.000	0.000	0.000
757	A	813	ALA	0	0.045	0.012	75.048	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	814	THR	0	-0.077	-0.038	69.739	0.002	0.002	0.000	0.000	0.000	0.000
759	A	815	ILE	0	-0.006	-0.007	71.405	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	816	LYS	1	0.963	0.987	66.489	-0.028	-0.028	0.000	0.000	0.000	0.000
761	A	817	TYR	0	0.065	0.023	67.701	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	818	ALA	0	-0.003	0.003	66.669	0.001	0.001	0.000	0.000	0.000	0.000
763	A	819	THR	0	0.028	0.011	61.093	0.000	0.000	0.000	0.000	0.000	0.000
764	A	820	GLU	-1	-0.861	-0.923	62.520	0.019	0.019	0.000	0.000	0.000	0.000
765	A	821	THR	0	-0.005	-0.011	65.090	0.000	0.000	0.000	0.000	0.000	0.000
766	A	822	THR	0	-0.032	-0.018	66.958	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	823	ILE	0	0.022	0.030	67.978	0.000	0.000	0.000	0.000	0.000	0.000
768	A	824	PHE	0	-0.018	-0.034	70.120	0.000	0.000	0.000	0.000	0.000	0.000
769	A	825	TYR	0	0.019	0.004	70.140	0.000	0.000	0.000	0.000	0.000	0.000
770	A	826	LEU	0	-0.042	-0.013	74.738	0.000	0.000	0.000	0.000	0.000	0.000
771	A	827	ILE	0	0.005	0.007	75.242	0.000	0.000	0.000	0.000	0.000	0.000
772	A	828	TYR	0	-0.057	-0.039	79.061	0.000	0.000	0.000	0.000	0.000	0.000
773	A	829	ASN	0	-0.060	-0.031	79.408	-0.001	-0.001	0.000	0.000	0.000	0.000
774	A	830	VAL	0	-0.014	-0.009	83.614	0.000	0.000	0.000	0.000	0.000	0.000
775	A	831	GLU	-1	-0.922	-0.976	87.203	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	832	PHE	0	0.005	-0.007	89.701	0.000	0.000	0.000	0.000	0.000	0.000
777	A	833	SER	0	-0.053	-0.006	92.621	0.000	0.000	0.000	0.000	0.000	0.000
778	A	834	ASN	0	-0.026	-0.009	90.376	0.000	0.000	0.000	0.000	0.000	0.000
779	A	835	THR	0	0.027	0.020	94.090	0.000	0.000	0.000	0.000	0.000	0.000
780	A	836	PRO	0	-0.005	0.002	95.229	0.000	0.000	0.000	0.000	0.000	0.000
781	A	837	ASP	-1	-0.890	-0.955	95.427	0.004	0.004	0.000	0.000	0.000	0.000
782	A	838	SER	0	-0.060	-0.058	93.234	0.000	0.000	0.000	0.000	0.000	0.000
783	A	839	LEU	0	0.038	0.020	88.120	0.000	0.000	0.000	0.000	0.000	0.000
784	A	840	VAL	0	-0.065	-0.013	90.942	0.000	0.000	0.000	0.000	0.000	0.000
785	A	841	LEU	0	-0.048	-0.022	89.378	0.000	0.000	0.000	0.000	0.000	0.000
786	A	842	ILE	0	-0.049	-0.029	93.854	0.000	0.000	0.000	0.000	0.000	0.000
787	A	843	ASN	0	-0.047	-0.015	92.336	0.000	0.000	0.000	0.000	0.000	0.000
788	A	844	PRO	0	0.076	0.042	88.915	0.000	0.000	0.000	0.000	0.000	0.000
789	A	845	THR	0	-0.002	0.004	83.996	0.000	0.000	0.000	0.000	0.000	0.000
790	A	846	TYR	0	-0.013	-0.028	83.889	0.000	0.000	0.000	0.000	0.000	0.000
791	A	847	THR	0	-0.027	-0.025	78.162	0.000	0.000	0.000	0.000	0.000	0.000
792	A	848	MET	0	-0.012	0.003	78.171	0.000	0.000	0.000	0.000	0.000	0.000
793	A	849	THR	0	0.042	0.037	72.225	0.001	0.001	0.000	0.000	0.000	0.000
794	A	850	LYS	1	0.859	0.939	75.082	-0.013	-0.013	0.000	0.000	0.000	0.000
795	A	851	VAL	0	-0.004	-0.006	68.804	0.001	0.001	0.000	0.000	0.000	0.000
796	A	852	PHE	0	0.005	0.011	70.459	-0.001	-0.001	0.000	0.000	0.000	0.000
797	A	853	ILE	0	0.034	0.007	65.715	0.001	0.001	0.000	0.000	0.000	0.000
798	A	854	ASN	0	-0.029	0.019	68.469	-0.002	-0.002	0.000	0.000	0.000	0.000
799	A	855	LYS	1	0.780	0.871	62.047	-0.014	-0.014	0.000	0.000	0.000	0.000
800	A	856	ARG	1	0.826	0.901	67.246	-0.005	-0.005	0.000	0.000	0.000	0.000
801	A	857	ILE	0	0.008	0.016	65.562	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	858	VAL	0	-0.023	-0.014	67.835	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	859	GLU	-1	-0.866	-0.928	70.773	0.005	0.005	0.000	0.000	0.000	0.000
804	A	860	ARG	1	0.872	0.934	73.701	-0.005	-0.005	0.000	0.000	0.000	0.000
805	A	861	VAL	0	-0.032	-0.025	73.102	0.000	0.000	0.000	0.000	0.000	0.000
806	A	862	ARG	1	0.880	0.928	76.552	0.001	0.001	0.000	0.000	0.000	0.000
807	A	863	VAL	0	0.097	0.033	77.161	0.000	0.000	0.000	0.000	0.000	0.000
808	A	864	GLY	0	0.038	0.020	76.254	0.000	0.000	0.000	0.000	0.000	0.000
809	A	865	GLN	0	-0.037	-0.006	75.102	0.000	0.000	0.000	0.000	0.000	0.000
810	A	866	ILE	0	0.007	0.021	71.119	0.001	0.001	0.000	0.000	0.000	0.000
811	A	867	LEU	0	0.076	0.022	70.157	0.000	0.000	0.000	0.000	0.000	0.000
812	A	868	ALA	0	-0.001	0.008	70.015	0.000	0.000	0.000	0.000	0.000	0.000
813	A	869	VAL	0	-0.027	-0.023	66.524	0.000	0.000	0.000	0.000	0.000	0.000
814	A	870	LEU	0	-0.019	0.004	65.588	0.000	0.000	0.000	0.000	0.000	0.000
815	A	871	ASN	0	-0.017	0.007	65.033	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	872	ARG	1	0.830	0.898	60.241	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	873	ARG	1	0.960	1.013	56.467	0.009	0.009	0.000	0.000	0.000	0.000
818	A	874	PHE	0	-0.013	0.004	55.495	0.001	0.001	0.000	0.000	0.000	0.000
819	A	875	VAL	0	0.014	0.018	53.176	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	876	ALA	0	0.004	-0.005	53.379	0.000	0.000	0.000	0.000	0.000	0.000
821	A	877	TYR	0	0.016	0.001	48.737	-0.002	-0.002	0.000	0.000	0.000	0.000
822	A	878	LYS	1	0.862	0.910	52.154	0.026	0.026	0.000	0.000	0.000	0.000
823	A	879	GLY	0	0.074	0.021	51.665	-0.002	-0.002	0.000	0.000	0.000	0.000
824	A	880	LYS	1	0.851	0.934	51.284	0.038	0.038	0.000	0.000	0.000	0.000
825	A	881	MET	0	0.015	0.043	48.885	-0.003	-0.003	0.000	0.000	0.000	0.000
826	A	882	ARG	1	0.916	0.969	42.398	0.065	0.065	0.000	0.000	0.000	0.000
827	A	883	ILE	0	0.051	0.039	43.220	0.001	0.001	0.000	0.000	0.000	0.000
828	A	884	MET	0	-0.026	-0.018	38.704	-0.004	-0.004	0.000	0.000	0.000	0.000
829	A	885	ASP	-1	-0.761	-0.809	35.425	-0.042	-0.042	0.000	0.000	0.000	0.000
830	A	886	ILE	0	0.021	-0.002	34.268	-0.006	-0.006	0.000	0.000	0.000	0.000
831	A	887	THR	0	0.037	-0.004	31.995	-0.002	-0.002	0.000	0.000	0.000	0.000
832	A	888	GLN	0	0.002	0.001	29.098	-0.011	-0.011	0.000	0.000	0.000	0.000
833	A	889	SER	0	0.003	-0.006	28.484	-0.012	-0.012	0.000	0.000	0.000	0.000
834	A	890	LEU	0	-0.032	-0.021	28.095	-0.010	-0.010	0.000	0.000	0.000	0.000
835	A	891	LYS	1	0.906	0.969	23.617	0.109	0.109	0.000	0.000	0.000	0.000
836	A	892	MET	0	-0.045	-0.018	23.232	-0.019	-0.019	0.000	0.000	0.000	0.000
837	A	893	GLY	0	0.066	0.018	23.013	0.016	0.016	0.000	0.000	0.000	0.000
838	A	894	THR	0	-0.055	-0.018	19.412	-0.022	-0.022	0.000	0.000	0.000	0.000
839	A	895	LYS	1	0.863	0.935	13.430	0.375	0.375	0.000	0.000	0.000	0.000
840	A	896	LEU	0	-0.065	-0.020	16.632	-0.050	-0.050	0.000	0.000	0.000	0.000
841	A	897	ALA	0	0.002	0.001	14.075	-0.001	-0.001	0.000	0.000	0.000	0.000
842	A	898	ALA	0	0.046	0.029	11.820	0.077	0.077	0.000	0.000	0.000	0.000
843	A	899	PRO	0	-0.036	-0.028	13.962	-0.047	-0.047	0.000	0.000	0.000	0.000
844	A	900	THR	0	-0.022	0.007	10.311	-0.078	-0.078	0.000	0.000	0.000	0.000
845	A	901	VAL	0	-0.031	-0.010	11.767	0.086	0.086	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:57:VAL)