FMO DATABASE

FMODB ID: YY112

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	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	845
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-21543757.236169
FMO2-HF: Nuclear repulsion	21201959.4284
FMO2-HF: Total energy	-341797.807769
FMO2-MP2: Total energy	-342789.997524

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.
-24.799	-23.436	19.341	-8.485	-12.22	-0.036

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 : -0.077 / q_NPA : -0.041

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	-0.058	-0.011	3.722	-0.965	2.190	-0.030	-1.637	-1.488	-0.001
4	A	60	THR	0	0.032	0.010	6.188	-0.204	-0.204	0.000	0.000	0.000	0.000
5	A	61	VAL	0	-0.023	-0.020	9.642	0.259	0.259	0.000	0.000	0.000	0.000
6	A	62	PRO	0	0.050	0.014	12.744	-0.057	-0.057	0.000	0.000	0.000	0.000
7	A	63	ASP	-1	-0.926	-0.933	15.987	0.190	0.190	0.000	0.000	0.000	0.000
8	A	64	VAL	0	0.004	-0.010	17.794	-0.003	-0.003	0.000	0.000	0.000	0.000
9	A	65	GLN	0	-0.008	-0.015	15.900	-0.061	-0.061	0.000	0.000	0.000	0.000
10	A	66	GLN	0	-0.061	-0.027	18.704	-0.042	-0.042	0.000	0.000	0.000	0.000
11	A	67	ILE	0	0.077	0.033	21.105	-0.007	-0.007	0.000	0.000	0.000	0.000
12	A	68	LEU	0	0.004	-0.006	18.206	-0.006	-0.006	0.000	0.000	0.000	0.000
13	A	69	ASP	-1	-0.941	-0.964	20.415	-0.250	-0.250	0.000	0.000	0.000	0.000
14	A	70	ASP	-1	-0.887	-0.961	22.816	-0.071	-0.071	0.000	0.000	0.000	0.000
15	A	71	ILE	0	-0.011	-0.006	24.134	0.008	0.008	0.000	0.000	0.000	0.000
16	A	72	LYS	1	0.918	0.960	20.094	0.246	0.246	0.000	0.000	0.000	0.000
17	A	73	ALA	0	-0.046	-0.025	25.555	-0.004	-0.004	0.000	0.000	0.000	0.000
18	A	74	LEU	0	0.004	0.001	28.467	0.005	0.005	0.000	0.000	0.000	0.000
19	A	75	ALA	0	-0.021	0.004	28.857	0.005	0.005	0.000	0.000	0.000	0.000
20	A	76	ALA	0	-0.071	-0.041	30.709	-0.001	-0.001	0.000	0.000	0.000	0.000
21	A	77	GLU	-1	-0.891	-0.937	32.589	-0.040	-0.040	0.000	0.000	0.000	0.000
22	A	78	GLN	0	-0.036	-0.011	35.456	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	79	VAL	0	-0.042	-0.030	38.385	0.003	0.003	0.000	0.000	0.000	0.000
24	A	80	TYR	0	0.019	0.025	38.679	0.004	0.004	0.000	0.000	0.000	0.000
25	A	81	LYS	1	0.965	0.971	43.219	0.042	0.042	0.000	0.000	0.000	0.000
26	A	82	ILE	0	0.020	0.012	43.443	0.003	0.003	0.000	0.000	0.000	0.000
27	A	83	VAL	0	-0.051	-0.016	47.325	-0.002	-0.002	0.000	0.000	0.000	0.000
28	A	84	LYS	1	1.006	1.006	50.922	0.053	0.053	0.000	0.000	0.000	0.000
29	A	85	VAL	0	0.027	0.004	53.965	0.001	0.001	0.000	0.000	0.000	0.000
30	A	86	PRO	0	-0.019	0.024	55.031	-0.002	-0.002	0.000	0.000	0.000	0.000
31	A	87	SER	0	-0.021	-0.009	55.136	0.000	0.000	0.000	0.000	0.000	0.000
32	A	88	THR	0	-0.019	-0.023	56.857	0.001	0.001	0.000	0.000	0.000	0.000
33	A	89	SER	0	0.053	0.039	59.753	0.001	0.001	0.000	0.000	0.000	0.000
34	A	90	PHE	0	-0.056	-0.016	61.248	0.001	0.001	0.000	0.000	0.000	0.000
35	A	91	ARG	1	0.916	0.960	64.999	0.017	0.017	0.000	0.000	0.000	0.000
36	A	92	HIS	0	-0.035	-0.029	66.904	0.002	0.002	0.000	0.000	0.000	0.000
37	A	93	ILE	0	-0.012	0.000	70.632	-0.001	-0.001	0.000	0.000	0.000	0.000
38	A	94	VAL	0	-0.015	-0.031	72.631	0.001	0.001	0.000	0.000	0.000	0.000
39	A	95	THR	0	0.070	0.061	76.050	0.000	0.000	0.000	0.000	0.000	0.000
40	A	96	GLN	0	0.049	0.021	79.089	0.000	0.000	0.000	0.000	0.000	0.000
41	A	97	SER	0	0.013	-0.001	81.603	0.001	0.001	0.000	0.000	0.000	0.000
42	A	98	ARG	1	0.937	0.976	81.546	0.016	0.016	0.000	0.000	0.000	0.000
43	A	99	ASP	-1	-0.956	-0.965	82.215	-0.011	-0.011	0.000	0.000	0.000	0.000
44	A	100	ARG	1	0.873	0.939	80.148	0.010	0.010	0.000	0.000	0.000	0.000
45	A	101	VAL	0	-0.015	0.022	75.467	0.000	0.000	0.000	0.000	0.000	0.000
46	A	102	LEU	0	0.079	0.040	73.833	0.001	0.001	0.000	0.000	0.000	0.000
47	A	103	ARG	1	0.850	0.943	69.183	0.012	0.012	0.000	0.000	0.000	0.000
48	A	104	VAL	0	-0.010	-0.007	66.017	0.001	0.001	0.000	0.000	0.000	0.000
49	A	105	ASP	-1	-0.783	-0.924	62.611	-0.014	-0.014	0.000	0.000	0.000	0.000
50	A	106	THR	0	-0.012	0.015	61.223	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	107	TYR	0	0.001	-0.015	55.865	0.000	0.000	0.000	0.000	0.000	0.000
52	A	108	TYR	0	0.007	-0.038	59.221	0.000	0.000	0.000	0.000	0.000	0.000
53	A	109	GLU	-1	-0.851	-0.932	61.519	-0.017	-0.017	0.000	0.000	0.000	0.000
54	A	110	GLU	-1	-0.891	-0.964	55.880	-0.024	-0.024	0.000	0.000	0.000	0.000
55	A	111	MET	0	-0.039	-0.021	53.951	0.001	0.001	0.000	0.000	0.000	0.000
56	A	112	SER	0	-0.080	-0.012	57.825	0.002	0.002	0.000	0.000	0.000	0.000
57	A	113	GLN	0	-0.067	-0.042	57.928	0.001	0.001	0.000	0.000	0.000	0.000
58	A	114	VAL	0	-0.006	0.044	52.330	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	115	GLY	0	-0.027	-0.036	52.521	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	116	ASP	-1	-0.972	-0.978	51.680	-0.006	-0.006	0.000	0.000	0.000	0.000
61	A	117	VAL	0	0.005	-0.007	54.729	0.001	0.001	0.000	0.000	0.000	0.000
62	A	118	ILE	0	-0.035	-0.020	56.683	0.001	0.001	0.000	0.000	0.000	0.000
63	A	119	THR	0	-0.026	-0.013	57.243	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	120	GLU	-1	-0.895	-0.937	57.240	0.014	0.014	0.000	0.000	0.000	0.000
65	A	121	ASP	-1	-0.938	-0.987	57.223	0.015	0.015	0.000	0.000	0.000	0.000
66	A	122	GLU	-1	-0.918	-0.949	53.576	0.011	0.011	0.000	0.000	0.000	0.000
67	A	123	PRO	0	-0.038	-0.032	51.343	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	124	GLU	-1	-0.917	-0.961	44.862	0.024	0.024	0.000	0.000	0.000	0.000
69	A	125	LYS	1	1.008	1.001	48.911	-0.005	-0.005	0.000	0.000	0.000	0.000
70	A	126	PHE	0	0.037	0.019	50.809	-0.002	-0.002	0.000	0.000	0.000	0.000
71	A	127	TYR	0	0.007	-0.015	47.906	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	128	SER	0	0.075	0.038	46.511	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	129	THR	0	-0.056	-0.013	48.026	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	130	ILE	0	0.016	0.005	50.254	-0.003	-0.003	0.000	0.000	0.000	0.000
75	A	131	ILE	0	0.015	0.009	44.453	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	132	LYS	1	0.976	0.985	47.573	0.008	0.008	0.000	0.000	0.000	0.000
77	A	133	LYS	1	0.906	0.954	48.512	0.001	0.001	0.000	0.000	0.000	0.000
78	A	134	VAL	0	0.042	0.021	48.213	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	135	ARG	1	0.825	0.897	40.366	0.000	0.000	0.000	0.000	0.000	0.000
80	A	136	PHE	0	-0.042	-0.023	46.931	-0.004	-0.004	0.000	0.000	0.000	0.000
81	A	137	ILE	0	-0.011	0.010	49.630	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	138	ARG	1	0.963	0.980	40.759	0.016	0.016	0.000	0.000	0.000	0.000
83	A	139	GLY	0	-0.012	0.014	46.561	-0.003	-0.003	0.000	0.000	0.000	0.000
84	A	140	LYS	1	0.869	0.927	47.524	0.023	0.023	0.000	0.000	0.000	0.000
85	A	141	GLY	0	-0.018	-0.011	50.366	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	142	SER	0	-0.043	-0.024	45.675	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	143	PHE	0	-0.041	-0.029	47.266	-0.003	-0.003	0.000	0.000	0.000	0.000
88	A	144	ILE	0	0.044	0.007	45.204	0.002	0.002	0.000	0.000	0.000	0.000
89	A	145	LEU	0	-0.003	0.009	49.238	-0.003	-0.003	0.000	0.000	0.000	0.000
90	A	146	HIS	0	-0.032	-0.034	49.432	0.000	0.000	0.000	0.000	0.000	0.000
91	A	147	ASP	-1	-0.943	-0.968	51.774	-0.053	-0.053	0.000	0.000	0.000	0.000
92	A	148	ILE	0	0.027	0.011	54.249	0.000	0.000	0.000	0.000	0.000	0.000
93	A	149	PRO	0	-0.058	-0.016	57.206	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	150	ALA	0	0.043	0.032	60.450	0.002	0.002	0.000	0.000	0.000	0.000
95	A	151	ARG	1	0.903	0.959	62.698	0.027	0.027	0.000	0.000	0.000	0.000
96	A	152	ASP	-1	-0.899	-0.946	66.328	-0.032	-0.032	0.000	0.000	0.000	0.000
97	A	153	HIS	0	-0.046	-0.033	68.869	0.000	0.000	0.000	0.000	0.000	0.000
98	A	154	ARG	1	0.863	0.924	72.154	0.023	0.023	0.000	0.000	0.000	0.000
99	A	155	GLY	0	0.033	0.015	71.062	0.001	0.001	0.000	0.000	0.000	0.000
100	A	156	MET	0	-0.034	-0.008	68.914	0.001	0.001	0.000	0.000	0.000	0.000
101	A	157	GLU	-1	-0.857	-0.919	62.294	-0.036	-0.036	0.000	0.000	0.000	0.000
102	A	158	VAL	0	-0.022	-0.017	66.171	0.001	0.001	0.000	0.000	0.000	0.000
103	A	159	ALA	0	0.006	0.004	63.576	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	160	GLU	-1	-0.859	-0.933	63.109	-0.031	-0.031	0.000	0.000	0.000	0.000
105	A	161	PRO	0	-0.035	-0.031	63.927	0.001	0.001	0.000	0.000	0.000	0.000
106	A	162	GLU	-1	-0.953	-0.989	61.843	-0.033	-0.033	0.000	0.000	0.000	0.000
107	A	163	VAL	0	-0.024	-0.020	58.550	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	164	LEU	0	-0.021	-0.009	60.192	0.001	0.001	0.000	0.000	0.000	0.000
109	A	165	GLY	0	-0.011	0.016	61.642	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	166	VAL	0	0.018	-0.038	62.195	0.002	0.002	0.000	0.000	0.000	0.000
111	A	167	GLU	-1	-0.980	-0.973	64.636	-0.028	-0.028	0.000	0.000	0.000	0.000
112	A	168	PHE	0	0.025	0.015	67.348	0.001	0.001	0.000	0.000	0.000	0.000
113	A	169	LYS	1	0.940	0.961	65.250	0.029	0.029	0.000	0.000	0.000	0.000
114	A	170	ASN	0	0.103	0.059	69.654	0.000	0.000	0.000	0.000	0.000	0.000
115	A	171	VAL	0	0.017	-0.009	73.073	0.000	0.000	0.000	0.000	0.000	0.000
116	A	172	LEU	0	-0.029	-0.021	73.511	0.001	0.001	0.000	0.000	0.000	0.000
117	A	173	PRO	0	-0.014	0.002	75.477	0.000	0.000	0.000	0.000	0.000	0.000
118	A	174	VAL	0	-0.038	-0.009	78.488	0.001	0.001	0.000	0.000	0.000	0.000
119	A	175	LEU	0	-0.055	-0.022	77.428	0.000	0.000	0.000	0.000	0.000	0.000
120	A	176	THR	0	0.015	0.012	81.569	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	177	ALA	0	-0.011	0.000	83.298	0.000	0.000	0.000	0.000	0.000	0.000
122	A	178	GLU	-1	-0.840	-0.930	83.589	-0.015	-0.015	0.000	0.000	0.000	0.000
123	A	179	HIS	0	0.028	-0.006	80.989	0.000	0.000	0.000	0.000	0.000	0.000
124	A	180	ARG	1	0.967	0.987	78.964	0.020	0.020	0.000	0.000	0.000	0.000
125	A	181	ALA	0	0.021	0.005	78.691	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	182	MET	0	-0.030	0.001	79.089	0.000	0.000	0.000	0.000	0.000	0.000
127	A	183	ILE	0	-0.011	-0.021	74.266	0.000	0.000	0.000	0.000	0.000	0.000
128	A	184	GLN	0	-0.051	-0.019	73.709	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	185	ASN	0	0.015	0.000	74.889	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	186	ALA	0	-0.031	-0.008	73.646	0.000	0.000	0.000	0.000	0.000	0.000
131	A	187	LEU	0	-0.042	-0.019	69.747	0.000	0.000	0.000	0.000	0.000	0.000
132	A	188	ASP	-1	-0.899	-0.952	70.351	-0.023	-0.023	0.000	0.000	0.000	0.000
133	A	189	GLY	0	-0.004	0.010	72.345	0.000	0.000	0.000	0.000	0.000	0.000
134	A	190	SER	0	-0.075	-0.034	66.784	0.001	0.001	0.000	0.000	0.000	0.000
135	A	191	ILE	0	0.003	-0.005	67.075	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	192	ILE	0	-0.050	-0.020	61.248	0.001	0.001	0.000	0.000	0.000	0.000
137	A	193	GLU	-1	-0.974	-0.975	62.120	-0.020	-0.020	0.000	0.000	0.000	0.000
138	A	194	ASN	0	0.037	-0.012	60.258	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	195	GLY	0	0.002	0.013	57.715	0.002	0.002	0.000	0.000	0.000	0.000
140	A	196	ASN	0	-0.075	-0.058	56.495	0.001	0.001	0.000	0.000	0.000	0.000
141	A	197	VAL	0	0.034	0.013	51.015	-0.002	-0.002	0.000	0.000	0.000	0.000
142	A	198	ALA	0	0.085	0.067	47.892	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	199	THR	0	-0.105	-0.049	48.362	-0.003	-0.003	0.000	0.000	0.000	0.000
144	A	200	ARG	1	0.875	0.936	43.776	0.051	0.051	0.000	0.000	0.000	0.000
145	A	201	ASP	-1	-0.885	-0.940	51.400	-0.036	-0.036	0.000	0.000	0.000	0.000
146	A	202	VAL	0	-0.065	-0.041	52.508	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	203	ASP	-1	-0.871	-0.916	54.840	-0.035	-0.035	0.000	0.000	0.000	0.000
148	A	204	VAL	0	-0.025	-0.030	57.172	0.000	0.000	0.000	0.000	0.000	0.000
149	A	205	PHE	0	0.036	0.016	57.631	0.000	0.000	0.000	0.000	0.000	0.000
150	A	206	ILE	0	-0.005	-0.007	61.205	0.001	0.001	0.000	0.000	0.000	0.000
151	A	207	GLY	0	0.042	0.026	62.024	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	208	ALA	0	-0.019	-0.005	62.382	0.001	0.001	0.000	0.000	0.000	0.000
153	A	209	CYS	0	0.021	-0.017	57.894	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	210	SER	0	-0.009	0.006	58.918	0.001	0.001	0.000	0.000	0.000	0.000
155	A	211	GLU	-1	-0.926	-0.974	58.530	-0.007	-0.007	0.000	0.000	0.000	0.000
156	A	212	PRO	0	0.033	0.028	55.773	-0.001	-0.001	0.000	0.000	0.000	0.000
157	A	213	ILE	0	0.058	0.018	53.677	0.000	0.000	0.000	0.000	0.000	0.000
158	A	214	TYR	0	-0.016	-0.011	53.803	0.000	0.000	0.000	0.000	0.000	0.000
159	A	215	ARG	1	0.943	0.985	53.408	0.002	0.002	0.000	0.000	0.000	0.000
160	A	216	ILE	0	-0.011	0.013	48.618	0.000	0.000	0.000	0.000	0.000	0.000
161	A	217	TYR	0	-0.056	-0.018	49.992	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	218	ASN	0	0.000	-0.007	50.776	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	219	ARG	1	0.949	0.982	46.808	0.004	0.004	0.000	0.000	0.000	0.000
164	A	220	LEU	0	-0.002	0.000	44.904	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	221	GLN	0	0.058	0.058	46.441	-0.005	-0.005	0.000	0.000	0.000	0.000
166	A	222	GLY	0	0.013	0.011	48.096	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	223	TYR	0	-0.043	-0.020	38.299	0.001	0.001	0.000	0.000	0.000	0.000
168	A	224	ILE	0	0.016	0.002	43.754	-0.002	-0.002	0.000	0.000	0.000	0.000
169	A	225	GLU	-1	-0.905	-0.960	44.678	-0.024	-0.024	0.000	0.000	0.000	0.000
170	A	226	ALA	0	0.017	-0.001	43.935	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	227	VAL	0	-0.040	-0.023	39.578	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	228	GLN	0	-0.036	-0.020	41.577	-0.004	-0.004	0.000	0.000	0.000	0.000
173	A	229	LEU	0	-0.072	-0.014	43.879	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	230	GLN	0	-0.049	-0.029	41.918	0.001	0.001	0.000	0.000	0.000	0.000
175	A	231	GLU	-1	-0.840	-0.932	38.387	-0.014	-0.014	0.000	0.000	0.000	0.000
176	A	232	LEU	0	-0.009	0.021	36.176	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	233	ARG	1	0.983	0.982	36.305	0.028	0.028	0.000	0.000	0.000	0.000
178	A	234	ASN	0	-0.033	-0.012	36.193	-0.004	-0.004	0.000	0.000	0.000	0.000
179	A	235	SER	0	0.023	-0.011	33.010	0.003	0.003	0.000	0.000	0.000	0.000
180	A	236	ILE	0	0.009	0.013	31.627	-0.003	-0.003	0.000	0.000	0.000	0.000
181	A	237	GLY	0	0.064	0.035	31.209	-0.004	-0.004	0.000	0.000	0.000	0.000
182	A	238	TRP	0	-0.002	-0.016	27.059	0.010	0.010	0.000	0.000	0.000	0.000
183	A	239	LEU	0	0.025	0.012	26.178	0.006	0.006	0.000	0.000	0.000	0.000
184	A	240	GLU	-1	-0.909	-0.949	26.751	-0.067	-0.067	0.000	0.000	0.000	0.000
185	A	241	ARG	1	0.889	0.951	27.797	-0.007	-0.007	0.000	0.000	0.000	0.000
186	A	242	LEU	0	0.002	-0.005	22.364	0.008	0.008	0.000	0.000	0.000	0.000
187	A	243	GLY	0	0.025	0.023	22.945	0.000	0.000	0.000	0.000	0.000	0.000
188	A	244	GLN	0	-0.041	-0.002	23.171	-0.002	-0.002	0.000	0.000	0.000	0.000
189	A	245	ARG	1	0.877	0.930	22.617	-0.097	-0.097	0.000	0.000	0.000	0.000
190	A	246	LYS	1	0.876	0.944	18.446	-0.025	-0.025	0.000	0.000	0.000	0.000
191	A	247	ARG	1	0.891	0.966	18.207	0.007	0.007	0.000	0.000	0.000	0.000
192	A	248	ILE	0	-0.011	-0.012	18.830	-0.037	-0.037	0.000	0.000	0.000	0.000
193	A	249	THR	0	0.002	0.014	20.970	0.030	0.030	0.000	0.000	0.000	0.000
194	A	250	TYR	0	0.014	-0.018	22.969	-0.014	-0.014	0.000	0.000	0.000	0.000
195	A	251	SER	0	-0.058	-0.010	26.010	0.011	0.011	0.000	0.000	0.000	0.000
196	A	252	GLN	0	0.083	0.034	28.216	0.007	0.007	0.000	0.000	0.000	0.000
197	A	253	GLU	-1	-0.937	-0.996	28.751	-0.177	-0.177	0.000	0.000	0.000	0.000
198	A	254	VAL	0	0.035	0.026	31.849	0.005	0.005	0.000	0.000	0.000	0.000
199	A	255	LEU	0	0.006	-0.001	34.453	0.006	0.006	0.000	0.000	0.000	0.000
200	A	256	THR	0	-0.116	-0.056	35.236	0.007	0.007	0.000	0.000	0.000	0.000
201	A	257	ASP	-1	-0.870	-0.943	37.569	-0.096	-0.096	0.000	0.000	0.000	0.000
202	A	258	PHE	0	0.037	-0.001	39.607	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	259	ARG	1	0.857	0.936	43.144	0.077	0.077	0.000	0.000	0.000	0.000
204	A	260	ARG	1	0.942	0.969	40.168	0.079	0.079	0.000	0.000	0.000	0.000
205	A	261	GLN	0	-0.047	-0.022	43.018	0.000	0.000	0.000	0.000	0.000	0.000
206	A	262	ASP	-1	-0.903	-0.953	46.355	-0.058	-0.058	0.000	0.000	0.000	0.000
207	A	263	MET	0	-0.042	-0.024	42.008	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	264	ILE	0	-0.007	0.011	43.819	0.001	0.001	0.000	0.000	0.000	0.000
209	A	265	TRP	0	0.003	-0.016	38.587	-0.005	-0.005	0.000	0.000	0.000	0.000
210	A	266	VAL	0	0.002	-0.025	39.513	0.006	0.006	0.000	0.000	0.000	0.000
211	A	267	LEU	0	-0.006	0.031	34.179	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	268	ALA	0	0.025	-0.026	36.009	0.007	0.007	0.000	0.000	0.000	0.000
213	A	269	LEU	0	0.006	-0.019	30.719	0.004	0.004	0.000	0.000	0.000	0.000
214	A	270	GLN	0	0.006	0.016	34.348	0.005	0.005	0.000	0.000	0.000	0.000
215	A	271	LEU	0	0.031	0.004	28.251	0.000	0.000	0.000	0.000	0.000	0.000
216	A	272	PRO	0	-0.045	-0.008	30.484	0.003	0.003	0.000	0.000	0.000	0.000
217	A	273	VAL	0	0.036	0.027	28.513	0.010	0.010	0.000	0.000	0.000	0.000
218	A	274	ASN	0	-0.014	-0.038	31.163	0.002	0.002	0.000	0.000	0.000	0.000
219	A	275	PRO	0	0.056	0.017	29.728	0.000	0.000	0.000	0.000	0.000	0.000
220	A	276	GLN	0	0.027	0.034	30.775	0.012	0.012	0.000	0.000	0.000	0.000
221	A	277	VAL	0	0.030	0.018	31.906	0.007	0.007	0.000	0.000	0.000	0.000
222	A	278	VAL	0	-0.013	-0.005	26.868	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	279	TRP	0	0.009	-0.006	24.410	0.011	0.011	0.000	0.000	0.000	0.000
224	A	280	ASP	-1	-0.886	-0.932	30.724	0.085	0.085	0.000	0.000	0.000	0.000
225	A	281	VAL	0	-0.095	-0.032	30.663	-0.002	-0.002	0.000	0.000	0.000	0.000
226	A	282	PRO	0	0.028	0.002	31.993	0.013	0.013	0.000	0.000	0.000	0.000
227	A	283	ARG	1	0.949	0.942	30.604	-0.172	-0.172	0.000	0.000	0.000	0.000
228	A	284	SER	0	-0.019	0.005	27.972	0.021	0.021	0.000	0.000	0.000	0.000
229	A	285	SER	0	0.003	0.004	26.081	0.007	0.007	0.000	0.000	0.000	0.000
230	A	286	ILE	0	0.091	0.043	21.956	0.006	0.006	0.000	0.000	0.000	0.000
231	A	287	ALA	0	0.024	0.006	22.002	0.022	0.022	0.000	0.000	0.000	0.000
232	A	288	ASN	0	0.038	0.007	22.255	-0.016	-0.016	0.000	0.000	0.000	0.000
233	A	289	LEU	0	0.007	0.022	17.682	-0.007	-0.007	0.000	0.000	0.000	0.000
234	A	290	ILE	0	-0.002	-0.005	17.690	0.023	0.023	0.000	0.000	0.000	0.000
235	A	291	MET	0	0.039	0.021	17.434	-0.005	-0.005	0.000	0.000	0.000	0.000
236	A	292	ASN	0	0.005	0.000	18.425	-0.070	-0.070	0.000	0.000	0.000	0.000
237	A	293	ILE	0	-0.036	-0.026	13.242	-0.019	-0.019	0.000	0.000	0.000	0.000
238	A	294	ALA	0	-0.011	-0.007	13.731	-0.017	-0.017	0.000	0.000	0.000	0.000
239	A	295	THR	0	-0.067	-0.043	14.936	-0.102	-0.102	0.000	0.000	0.000	0.000
240	A	296	CYS	0	-0.093	0.023	14.585	-0.077	-0.077	0.000	0.000	0.000	0.000
241	A	297	LEU	0	0.031	0.040	9.324	0.058	0.058	0.000	0.000	0.000	0.000
242	A	298	PRO	0	-0.061	-0.018	8.467	-0.130	-0.130	0.000	0.000	0.000	0.000
243	A	299	THR	0	0.026	0.028	2.942	0.107	0.440	0.062	-0.075	-0.320	0.000
244	A	300	GLY	0	-0.066	-0.054	3.775	-0.920	-0.548	0.003	-0.136	-0.239	0.000
245	A	301	GLU	-1	-0.879	-0.942	1.894	-4.849	-10.332	19.115	-5.175	-8.457	-0.052
246	A	302	TYR	0	-0.031	-0.023	3.880	-0.546	-0.186	0.009	-0.069	-0.300	0.001
247	A	303	ILE	0	0.020	0.025	6.105	-0.282	-0.282	0.000	0.000	0.000	0.000
248	A	304	ALA	0	0.004	0.002	8.798	0.239	0.239	0.000	0.000	0.000	0.000
249	A	305	PRO	0	0.017	0.016	11.636	-0.129	-0.129	0.000	0.000	0.000	0.000
250	A	306	ASN	0	0.022	-0.003	15.288	-0.062	-0.062	0.000	0.000	0.000	0.000
251	A	307	PRO	0	0.042	0.027	17.049	0.031	0.031	0.000	0.000	0.000	0.000
252	A	308	ARG	1	0.980	0.966	19.175	-0.026	-0.026	0.000	0.000	0.000	0.000
253	A	309	ILE	0	0.030	0.019	19.769	-0.011	-0.011	0.000	0.000	0.000	0.000
254	A	310	SER	0	0.043	0.048	21.348	-0.012	-0.012	0.000	0.000	0.000	0.000
255	A	311	SER	0	-0.009	-0.012	23.198	-0.017	-0.017	0.000	0.000	0.000	0.000
256	A	312	ILE	0	-0.033	0.000	25.388	-0.014	-0.014	0.000	0.000	0.000	0.000
257	A	313	THR	0	-0.051	-0.040	25.282	-0.002	-0.002	0.000	0.000	0.000	0.000
258	A	314	LEU	0	0.056	0.036	23.885	-0.009	-0.009	0.000	0.000	0.000	0.000
259	A	315	THR	0	-0.081	-0.021	25.305	-0.003	-0.003	0.000	0.000	0.000	0.000
260	A	316	GLN	0	0.027	0.010	27.646	-0.020	-0.020	0.000	0.000	0.000	0.000
261	A	317	ARG	1	0.896	0.944	30.563	-0.124	-0.124	0.000	0.000	0.000	0.000
262	A	318	ILE	0	0.010	0.026	30.091	0.012	0.012	0.000	0.000	0.000	0.000
263	A	319	THR	0	-0.007	-0.011	33.139	-0.010	-0.010	0.000	0.000	0.000	0.000
264	A	320	THR	0	-0.004	-0.022	32.304	-0.003	-0.003	0.000	0.000	0.000	0.000
265	A	321	THR	0	0.007	-0.009	30.669	0.002	0.002	0.000	0.000	0.000	0.000
266	A	322	GLY	0	-0.008	0.000	29.658	0.014	0.014	0.000	0.000	0.000	0.000
267	A	323	PRO	0	0.010	0.022	28.029	0.003	0.003	0.000	0.000	0.000	0.000
268	A	324	PHE	0	0.007	-0.025	23.677	0.032	0.032	0.000	0.000	0.000	0.000
269	A	325	ALA	0	0.040	0.044	25.059	0.002	0.002	0.000	0.000	0.000	0.000
270	A	326	ILE	0	-0.037	0.002	20.794	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	327	LEU	0	-0.054	-0.039	19.442	0.041	0.041	0.000	0.000	0.000	0.000
272	A	328	THR	0	-0.015	0.001	19.383	0.019	0.019	0.000	0.000	0.000	0.000
273	A	329	GLY	0	-0.032	0.003	18.527	-0.006	-0.006	0.000	0.000	0.000	0.000
274	A	330	SER	0	0.015	0.015	13.883	0.063	0.063	0.000	0.000	0.000	0.000
275	A	331	THR	0	0.024	-0.011	10.288	0.063	0.063	0.000	0.000	0.000	0.000
276	A	332	PRO	0	-0.015	0.008	11.596	0.053	0.053	0.000	0.000	0.000	0.000
277	A	333	THR	0	0.001	-0.033	7.162	-0.048	-0.048	0.000	0.000	0.000	0.000
278	A	334	ALA	0	0.056	0.038	9.664	0.263	0.263	0.000	0.000	0.000	0.000
279	A	335	GLN	0	-0.001	0.013	10.737	0.168	0.168	0.000	0.000	0.000	0.000
280	A	336	GLN	0	0.105	0.032	11.512	0.206	0.206	0.000	0.000	0.000	0.000
281	A	337	LEU	0	0.018	0.002	5.669	-0.069	-0.069	0.000	0.000	0.000	0.000
282	A	338	ASN	0	0.005	0.012	7.996	1.150	1.150	0.000	0.000	0.000	0.000
283	A	339	ASP	-1	-0.796	-0.902	9.148	1.153	1.153	0.000	0.000	0.000	0.000
284	A	340	VAL	0	-0.013	-0.033	8.980	-0.226	-0.226	0.000	0.000	0.000	0.000
285	A	341	ARG	1	0.910	0.958	3.036	-15.152	-12.876	0.173	-1.294	-1.155	0.016
286	A	342	LYS	1	0.940	0.992	8.591	-1.687	-1.687	0.000	0.000	0.000	0.000
287	A	343	ILE	0	0.013	0.030	12.124	-0.177	-0.177	0.000	0.000	0.000	0.000
288	A	344	TYR	0	-0.045	-0.073	9.811	-0.248	-0.248	0.000	0.000	0.000	0.000
289	A	345	LEU	0	0.048	0.008	10.793	-0.239	-0.239	0.000	0.000	0.000	0.000
290	A	346	ALA	0	-0.007	-0.016	12.143	-0.188	-0.188	0.000	0.000	0.000	0.000
291	A	347	LEU	0	0.038	0.039	14.071	-0.131	-0.131	0.000	0.000	0.000	0.000
292	A	348	MET	0	-0.135	-0.047	11.992	-0.048	-0.048	0.000	0.000	0.000	0.000
293	A	349	PHE	0	0.006	0.001	13.788	-0.080	-0.080	0.000	0.000	0.000	0.000
294	A	350	PRO	0	-0.088	-0.028	17.843	-0.065	-0.065	0.000	0.000	0.000	0.000
295	A	351	GLY	0	0.065	0.014	19.847	0.027	0.027	0.000	0.000	0.000	0.000
296	A	352	GLN	0	-0.027	-0.008	20.284	-0.039	-0.039	0.000	0.000	0.000	0.000
297	A	353	ILE	0	-0.015	-0.004	15.896	-0.003	-0.003	0.000	0.000	0.000	0.000
298	A	354	ILE	0	0.036	0.040	19.337	0.020	0.020	0.000	0.000	0.000	0.000
299	A	355	LEU	0	-0.026	-0.003	16.170	0.086	0.086	0.000	0.000	0.000	0.000
300	A	356	ASP	-1	-0.792	-0.943	19.701	0.533	0.533	0.000	0.000	0.000	0.000
301	A	357	LEU	0	0.049	0.008	21.885	0.026	0.026	0.000	0.000	0.000	0.000
302	A	358	LYS	1	0.867	0.935	21.234	-0.577	-0.577	0.000	0.000	0.000	0.000
303	A	359	ILE	0	-0.018	0.018	17.855	-0.010	-0.010	0.000	0.000	0.000	0.000
304	A	360	ASP	-1	-0.874	-0.955	22.524	0.374	0.374	0.000	0.000	0.000	0.000
305	A	361	PRO	0	-0.049	-0.021	22.325	-0.028	-0.028	0.000	0.000	0.000	0.000
306	A	362	GLY	0	0.059	0.036	25.400	0.002	0.002	0.000	0.000	0.000	0.000
307	A	363	GLU	-1	-0.891	-0.955	22.627	0.395	0.395	0.000	0.000	0.000	0.000
308	A	364	ARG	1	0.799	0.903	25.408	-0.370	-0.370	0.000	0.000	0.000	0.000
309	A	365	MET	0	-0.048	-0.017	26.474	-0.006	-0.006	0.000	0.000	0.000	0.000
310	A	366	ASP	-1	-0.827	-0.932	25.198	0.385	0.385	0.000	0.000	0.000	0.000
311	A	367	PRO	0	0.012	-0.004	26.579	0.026	0.026	0.000	0.000	0.000	0.000
312	A	368	ALA	0	0.030	0.032	25.912	0.003	0.003	0.000	0.000	0.000	0.000
313	A	369	VAL	0	0.005	-0.002	21.349	0.026	0.026	0.000	0.000	0.000	0.000
314	A	370	ARG	1	0.864	0.919	23.485	-0.290	-0.290	0.000	0.000	0.000	0.000
315	A	371	MET	0	-0.047	0.007	25.894	0.008	0.008	0.000	0.000	0.000	0.000
316	A	372	VAL	0	-0.021	0.001	21.694	0.005	0.005	0.000	0.000	0.000	0.000
317	A	373	ALA	0	-0.010	-0.013	21.782	0.017	0.017	0.000	0.000	0.000	0.000
318	A	374	GLY	0	0.032	0.024	22.830	0.015	0.015	0.000	0.000	0.000	0.000
319	A	375	VAL	0	-0.017	-0.004	25.084	-0.011	-0.011	0.000	0.000	0.000	0.000
320	A	376	VAL	0	-0.023	-0.005	18.999	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	377	GLY	0	0.061	0.013	21.559	0.018	0.018	0.000	0.000	0.000	0.000
322	A	378	HIS	1	0.814	0.912	22.571	-0.362	-0.362	0.000	0.000	0.000	0.000
323	A	379	LEU	0	0.003	0.013	22.529	-0.035	-0.035	0.000	0.000	0.000	0.000
324	A	380	LEU	0	-0.024	-0.004	16.382	-0.006	-0.006	0.000	0.000	0.000	0.000
325	A	381	PHE	0	0.020	0.004	16.990	0.027	0.027	0.000	0.000	0.000	0.000
326	A	382	THR	0	0.022	0.007	21.469	-0.034	-0.034	0.000	0.000	0.000	0.000
327	A	383	ALA	0	0.014	0.017	24.204	0.011	0.011	0.000	0.000	0.000	0.000
328	A	384	GLY	0	0.008	-0.032	26.947	-0.023	-0.023	0.000	0.000	0.000	0.000
329	A	385	GLY	0	0.096	0.062	28.584	0.004	0.004	0.000	0.000	0.000	0.000
330	A	386	ARG	1	0.752	0.903	25.994	-0.294	-0.294	0.000	0.000	0.000	0.000
331	A	387	PHE	0	0.045	-0.006	22.087	-0.013	-0.013	0.000	0.000	0.000	0.000
332	A	388	THR	0	0.014	0.015	25.276	0.000	0.000	0.000	0.000	0.000	0.000
333	A	389	ASN	0	-0.010	-0.002	19.506	0.084	0.084	0.000	0.000	0.000	0.000
334	A	390	LEU	0	0.011	0.006	20.910	0.040	0.040	0.000	0.000	0.000	0.000
335	A	391	THR	0	0.033	0.076	23.538	-0.044	-0.044	0.000	0.000	0.000	0.000
336	A	392	GLN	0	0.070	0.001	26.138	0.002	0.002	0.000	0.000	0.000	0.000
337	A	393	ASN	0	0.001	-0.015	27.274	0.020	0.020	0.000	0.000	0.000	0.000
338	A	394	MET	0	0.015	0.032	20.047	-0.009	-0.009	0.000	0.000	0.000	0.000
339	A	395	ALA	0	0.032	0.028	25.974	0.010	0.010	0.000	0.000	0.000	0.000
340	A	396	ARG	1	0.929	0.983	27.648	-0.253	-0.253	0.000	0.000	0.000	0.000
341	A	397	GLN	0	0.000	-0.022	26.794	0.011	0.011	0.000	0.000	0.000	0.000
342	A	398	LEU	0	0.015	0.020	23.393	0.010	0.010	0.000	0.000	0.000	0.000
343	A	399	ASP	-1	-0.829	-0.937	27.479	0.304	0.304	0.000	0.000	0.000	0.000
344	A	400	ILE	0	-0.019	-0.002	30.827	-0.018	-0.018	0.000	0.000	0.000	0.000
345	A	401	ALA	0	0.023	0.005	27.619	-0.013	-0.013	0.000	0.000	0.000	0.000
346	A	402	LEU	0	-0.022	-0.002	28.877	-0.007	-0.007	0.000	0.000	0.000	0.000
347	A	403	ASN	0	0.059	0.005	30.436	-0.024	-0.024	0.000	0.000	0.000	0.000
348	A	404	ASP	-1	-0.848	-0.923	32.403	0.249	0.249	0.000	0.000	0.000	0.000
349	A	405	TYR	0	-0.040	-0.054	29.851	-0.012	-0.012	0.000	0.000	0.000	0.000
350	A	406	LEU	0	-0.023	-0.012	32.100	-0.014	-0.014	0.000	0.000	0.000	0.000
351	A	407	LEU	0	-0.088	-0.029	34.782	-0.014	-0.014	0.000	0.000	0.000	0.000
352	A	408	TYR	0	-0.015	0.003	32.961	-0.007	-0.007	0.000	0.000	0.000	0.000
353	A	409	MET	0	-0.059	-0.026	36.308	-0.015	-0.015	0.000	0.000	0.000	0.000
354	A	410	TYR	0	0.046	0.030	32.822	-0.005	-0.005	0.000	0.000	0.000	0.000
355	A	411	ASN	0	0.009	0.000	37.999	-0.009	-0.009	0.000	0.000	0.000	0.000
356	A	412	THR	0	-0.051	-0.033	40.037	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	413	ARG	1	0.987	0.992	41.823	-0.103	-0.103	0.000	0.000	0.000	0.000
358	A	414	VAL	0	0.003	0.012	40.421	-0.007	-0.007	0.000	0.000	0.000	0.000
359	A	415	GLN	0	-0.023	-0.024	43.687	-0.006	-0.006	0.000	0.000	0.000	0.000
360	A	416	VAL	0	0.026	0.018	41.805	0.006	0.006	0.000	0.000	0.000	0.000
361	A	417	ASN	0	0.014	0.015	44.339	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	418	TYR	0	-0.001	-0.016	41.975	0.003	0.003	0.000	0.000	0.000	0.000
363	A	419	GLY	0	0.062	0.045	44.532	-0.007	-0.007	0.000	0.000	0.000	0.000
364	A	420	PRO	0	-0.085	-0.044	46.039	0.000	0.000	0.000	0.000	0.000	0.000
365	A	421	THR	0	-0.004	0.014	43.294	-0.003	-0.003	0.000	0.000	0.000	0.000
366	A	422	GLY	0	-0.002	-0.005	43.925	0.003	0.003	0.000	0.000	0.000	0.000
367	A	423	GLU	-1	-0.888	-0.962	38.674	0.205	0.205	0.000	0.000	0.000	0.000
368	A	424	PRO	0	-0.065	-0.022	35.733	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	425	LEU	0	-0.026	-0.051	33.770	0.005	0.005	0.000	0.000	0.000	0.000
370	A	426	ASP	-1	-0.825	-0.912	37.756	0.156	0.156	0.000	0.000	0.000	0.000
371	A	427	PHE	0	0.013	0.029	36.621	-0.011	-0.011	0.000	0.000	0.000	0.000
372	A	428	GLN	0	0.077	0.027	40.416	0.004	0.004	0.000	0.000	0.000	0.000
373	A	429	ILE	0	-0.096	-0.023	37.982	-0.006	-0.006	0.000	0.000	0.000	0.000
374	A	430	GLY	0	0.010	-0.012	41.466	-0.002	-0.002	0.000	0.000	0.000	0.000
375	A	431	ARG	1	0.879	0.959	42.893	-0.103	-0.103	0.000	0.000	0.000	0.000
376	A	432	ASN	0	0.030	-0.009	42.496	-0.010	-0.010	0.000	0.000	0.000	0.000
377	A	433	GLN	0	-0.073	-0.024	43.265	-0.003	-0.003	0.000	0.000	0.000	0.000
378	A	434	TYR	0	0.049	0.045	35.341	0.003	0.003	0.000	0.000	0.000	0.000
379	A	435	ASP	-1	-0.877	-0.948	39.237	0.165	0.165	0.000	0.000	0.000	0.000
380	A	436	CYS	0	-0.084	-0.042	35.940	0.007	0.007	0.000	0.000	0.000	0.000
381	A	437	ASN	0	0.050	0.029	36.510	0.015	0.015	0.000	0.000	0.000	0.000
382	A	438	VAL	0	-0.014	-0.011	35.803	0.006	0.006	0.000	0.000	0.000	0.000
383	A	439	PHE	0	-0.011	-0.027	29.898	0.016	0.016	0.000	0.000	0.000	0.000
384	A	440	ARG	1	0.945	0.998	32.652	-0.184	-0.184	0.000	0.000	0.000	0.000
385	A	441	ALA	0	-0.020	-0.018	30.728	0.008	0.008	0.000	0.000	0.000	0.000
386	A	442	ASP	-1	-0.884	-0.925	32.350	0.200	0.200	0.000	0.000	0.000	0.000
387	A	443	PHE	0	-0.008	-0.001	27.211	0.004	0.004	0.000	0.000	0.000	0.000
388	A	444	ALA	0	0.029	0.022	31.833	0.001	0.001	0.000	0.000	0.000	0.000
389	A	445	THR	0	-0.042	-0.014	34.188	-0.014	-0.014	0.000	0.000	0.000	0.000
390	A	446	GLY	0	-0.063	-0.048	30.396	-0.003	-0.003	0.000	0.000	0.000	0.000
391	A	447	THR	0	-0.069	-0.052	30.594	0.013	0.013	0.000	0.000	0.000	0.000
392	A	448	GLY	0	0.085	0.077	31.355	-0.006	-0.006	0.000	0.000	0.000	0.000
393	A	449	TYR	0	-0.095	-0.077	25.328	0.016	0.016	0.000	0.000	0.000	0.000
394	A	450	ASN	0	0.040	-0.013	21.716	-0.057	-0.057	0.000	0.000	0.000	0.000
395	A	451	GLY	0	0.028	0.045	25.707	-0.006	-0.006	0.000	0.000	0.000	0.000
396	A	452	TRP	0	0.007	-0.005	27.307	-0.018	-0.018	0.000	0.000	0.000	0.000
397	A	453	ALA	0	-0.025	0.011	30.750	-0.011	-0.011	0.000	0.000	0.000	0.000
398	A	454	THR	0	-0.032	-0.006	28.134	-0.012	-0.012	0.000	0.000	0.000	0.000
399	A	455	ILE	0	-0.020	0.000	30.303	0.004	0.004	0.000	0.000	0.000	0.000
400	A	456	ASP	-1	-0.788	-0.930	24.160	0.314	0.314	0.000	0.000	0.000	0.000
401	A	457	VAL	0	0.014	0.023	26.382	0.008	0.008	0.000	0.000	0.000	0.000
402	A	458	GLU	-1	-0.915	-0.948	28.192	0.123	0.123	0.000	0.000	0.000	0.000
403	A	459	TYR	0	0.053	-0.002	29.140	0.009	0.009	0.000	0.000	0.000	0.000
404	A	460	ARG	1	0.813	0.937	24.323	-0.128	-0.128	0.000	0.000	0.000	0.000
405	A	461	ASP	-1	-0.909	-0.969	30.399	0.074	0.074	0.000	0.000	0.000	0.000
406	A	462	PRO	0	-0.029	-0.013	32.129	0.000	0.000	0.000	0.000	0.000	0.000
407	A	463	ALA	0	0.013	-0.002	27.458	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	464	PRO	0	-0.030	-0.008	25.766	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	465	TYR	0	-0.023	-0.021	23.651	0.014	0.014	0.000	0.000	0.000	0.000
410	A	466	VAL	0	-0.006	0.008	28.760	-0.004	-0.004	0.000	0.000	0.000	0.000
411	A	467	HIS	0	-0.053	-0.001	26.128	-0.013	-0.013	0.000	0.000	0.000	0.000
412	A	468	ALA	0	-0.043	-0.045	28.071	0.010	0.010	0.000	0.000	0.000	0.000
413	A	469	GLN	0	0.052	0.048	27.788	0.010	0.010	0.000	0.000	0.000	0.000
414	A	470	ARG	1	0.801	0.911	23.592	-0.228	-0.228	0.000	0.000	0.000	0.000
415	A	471	TYR	0	-0.110	-0.097	24.587	-0.006	-0.006	0.000	0.000	0.000	0.000
416	A	472	ILE	0	0.040	0.034	21.728	-0.007	-0.007	0.000	0.000	0.000	0.000
417	A	473	ARG	1	0.825	0.931	21.890	-0.156	-0.156	0.000	0.000	0.000	0.000
418	A	474	TYR	0	0.032	-0.021	18.230	-0.024	-0.024	0.000	0.000	0.000	0.000
419	A	475	CYS	0	-0.102	-0.049	22.503	-0.003	-0.003	0.000	0.000	0.000	0.000
420	A	476	GLY	0	0.006	0.010	25.324	-0.019	-0.019	0.000	0.000	0.000	0.000
421	A	477	ILE	0	-0.031	-0.016	21.010	-0.026	-0.026	0.000	0.000	0.000	0.000
422	A	478	ASP	-1	-0.820	-0.902	23.162	0.143	0.143	0.000	0.000	0.000	0.000
423	A	479	SER	0	-0.053	-0.032	19.043	-0.034	-0.034	0.000	0.000	0.000	0.000
424	A	480	ARG	1	0.936	0.965	21.632	-0.069	-0.069	0.000	0.000	0.000	0.000
425	A	481	GLU	-1	-0.876	-0.933	22.279	0.050	0.050	0.000	0.000	0.000	0.000
426	A	482	LEU	0	-0.002	-0.001	18.178	0.017	0.017	0.000	0.000	0.000	0.000
427	A	483	ILE	0	0.008	0.011	15.769	0.009	0.009	0.000	0.000	0.000	0.000
428	A	484	ASN	0	-0.043	0.015	17.595	-0.022	-0.022	0.000	0.000	0.000	0.000
429	A	485	PRO	0	0.047	0.020	14.698	-0.036	-0.036	0.000	0.000	0.000	0.000
430	A	486	THR	0	-0.025	-0.041	17.533	0.023	0.023	0.000	0.000	0.000	0.000
431	A	487	THR	0	-0.001	-0.001	19.902	0.014	0.014	0.000	0.000	0.000	0.000
432	A	488	TYR	0	-0.011	-0.028	20.203	0.008	0.008	0.000	0.000	0.000	0.000
433	A	489	GLY	0	0.011	0.014	21.501	0.019	0.019	0.000	0.000	0.000	0.000
434	A	490	ILE	0	0.005	-0.015	22.377	0.006	0.006	0.000	0.000	0.000	0.000
435	A	491	GLY	0	0.012	0.013	26.005	0.016	0.016	0.000	0.000	0.000	0.000
436	A	492	MET	0	-0.036	-0.010	24.411	-0.005	-0.005	0.000	0.000	0.000	0.000
437	A	493	THR	0	0.030	0.000	26.771	0.020	0.020	0.000	0.000	0.000	0.000
438	A	494	TYR	0	0.044	0.010	22.349	-0.011	-0.011	0.000	0.000	0.000	0.000
439	A	495	HIS	0	0.020	0.028	27.726	0.000	0.000	0.000	0.000	0.000	0.000
440	A	496	CYS	0	0.015	0.019	27.882	0.003	0.003	0.000	0.000	0.000	0.000
441	A	497	TYR	0	0.026	-0.028	22.742	0.010	0.010	0.000	0.000	0.000	0.000
442	A	498	ASN	0	-0.078	-0.037	27.617	-0.008	-0.008	0.000	0.000	0.000	0.000
443	A	499	GLU	-1	-0.856	-0.943	30.727	0.165	0.165	0.000	0.000	0.000	0.000
444	A	500	MET	0	0.003	0.005	27.525	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	501	LEU	0	-0.013	-0.013	27.356	-0.006	-0.006	0.000	0.000	0.000	0.000
446	A	502	ARG	1	0.843	0.941	31.212	-0.168	-0.168	0.000	0.000	0.000	0.000
447	A	503	MET	0	0.015	0.013	33.164	-0.004	-0.004	0.000	0.000	0.000	0.000
448	A	504	LEU	0	-0.044	-0.041	29.307	-0.002	-0.002	0.000	0.000	0.000	0.000
449	A	505	VAL	0	-0.033	-0.011	32.975	-0.002	-0.002	0.000	0.000	0.000	0.000
450	A	506	ALA	0	-0.063	-0.022	35.744	-0.008	-0.008	0.000	0.000	0.000	0.000
451	A	507	ALA	0	0.010	-0.002	35.870	-0.007	-0.007	0.000	0.000	0.000	0.000
452	A	508	GLY	0	-0.012	-0.033	35.806	-0.007	-0.007	0.000	0.000	0.000	0.000
453	A	509	LYS	1	0.873	0.961	31.961	-0.230	-0.230	0.000	0.000	0.000	0.000
454	A	510	ASP	-1	-0.814	-0.898	32.853	0.158	0.158	0.000	0.000	0.000	0.000
455	A	511	SER	0	-0.025	-0.021	30.906	0.009	0.009	0.000	0.000	0.000	0.000
456	A	512	GLU	-1	-0.757	-0.927	28.072	0.266	0.266	0.000	0.000	0.000	0.000
457	A	513	ALA	0	0.035	0.031	27.426	0.021	0.021	0.000	0.000	0.000	0.000
458	A	514	ALA	0	-0.049	-0.032	28.792	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	515	TYR	0	-0.001	0.001	19.765	-0.004	-0.004	0.000	0.000	0.000	0.000
460	A	516	PHE	0	0.059	0.017	22.520	0.021	0.021	0.000	0.000	0.000	0.000
461	A	517	ARG	1	0.932	0.984	24.967	-0.157	-0.157	0.000	0.000	0.000	0.000
462	A	518	SER	0	0.010	-0.005	23.390	-0.010	-0.010	0.000	0.000	0.000	0.000
463	A	519	MET	0	-0.043	-0.011	17.650	-0.023	-0.023	0.000	0.000	0.000	0.000
464	A	520	LEU	0	-0.009	0.012	20.464	0.025	0.025	0.000	0.000	0.000	0.000
465	A	521	PRO	0	0.047	0.027	20.615	0.018	0.018	0.000	0.000	0.000	0.000
466	A	522	PHE	0	-0.016	-0.029	12.280	0.005	0.005	0.000	0.000	0.000	0.000
467	A	523	HIS	0	0.011	0.016	16.241	0.104	0.104	0.000	0.000	0.000	0.000
468	A	524	MET	0	0.044	0.011	18.390	0.039	0.039	0.000	0.000	0.000	0.000
469	A	525	VAL	0	-0.060	-0.019	14.807	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	526	ARG	1	0.790	0.894	13.722	-0.834	-0.834	0.000	0.000	0.000	0.000
471	A	527	PHE	0	0.009	-0.002	14.667	0.046	0.046	0.000	0.000	0.000	0.000
472	A	528	ALA	0	-0.009	0.013	17.529	-0.018	-0.018	0.000	0.000	0.000	0.000
473	A	529	ARG	1	0.858	0.930	11.614	-0.222	-0.222	0.000	0.000	0.000	0.000
474	A	530	ILE	0	0.024	0.013	13.793	-0.024	-0.024	0.000	0.000	0.000	0.000
475	A	531	ASN	0	0.044	0.032	14.908	0.009	0.009	0.000	0.000	0.000	0.000
476	A	532	GLN	0	-0.050	-0.021	15.520	-0.053	-0.053	0.000	0.000	0.000	0.000
477	A	533	ILE	0	0.005	0.014	10.656	-0.026	-0.026	0.000	0.000	0.000	0.000
478	A	534	ILE	0	-0.004	0.000	14.455	-0.028	-0.028	0.000	0.000	0.000	0.000
479	A	535	ASN	0	-0.001	-0.009	17.088	-0.035	-0.035	0.000	0.000	0.000	0.000
480	A	536	GLU	-1	-0.985	-0.994	17.795	0.000	0.000	0.000	0.000	0.000	0.000
481	A	537	ASP	-1	-0.849	-0.938	13.323	-0.017	-0.017	0.000	0.000	0.000	0.000
482	A	538	LEU	0	-0.034	-0.080	13.631	-0.030	-0.030	0.000	0.000	0.000	0.000
483	A	539	HIS	0	-0.029	-0.006	17.286	0.032	0.032	0.000	0.000	0.000	0.000
484	A	540	SER	0	0.034	-0.021	19.931	-0.039	-0.039	0.000	0.000	0.000	0.000
485	A	541	VAL	0	-0.039	0.001	22.274	0.020	0.020	0.000	0.000	0.000	0.000
486	A	542	PHE	0	0.052	0.020	21.262	0.001	0.001	0.000	0.000	0.000	0.000
487	A	543	SER	0	-0.069	-0.010	20.739	0.031	0.031	0.000	0.000	0.000	0.000
488	A	544	LEU	0	-0.046	-0.037	22.283	-0.024	-0.024	0.000	0.000	0.000	0.000
489	A	545	PRO	0	0.044	0.014	25.170	0.000	0.000	0.000	0.000	0.000	0.000
490	A	546	ASP	-1	-0.735	-0.905	28.351	0.191	0.191	0.000	0.000	0.000	0.000
491	A	547	ASP	-1	-0.919	-0.942	29.981	0.150	0.150	0.000	0.000	0.000	0.000
492	A	548	MET	0	0.010	0.002	29.249	0.006	0.006	0.000	0.000	0.000	0.000
493	A	549	PHE	0	-0.029	-0.010	23.524	0.021	0.021	0.000	0.000	0.000	0.000
494	A	550	ASN	0	-0.038	-0.049	28.166	0.021	0.021	0.000	0.000	0.000	0.000
495	A	551	ALA	0	0.023	0.013	31.108	0.000	0.000	0.000	0.000	0.000	0.000
496	A	552	LEU	0	0.002	0.013	25.323	0.006	0.006	0.000	0.000	0.000	0.000
497	A	553	LEU	0	-0.012	0.008	28.967	0.005	0.005	0.000	0.000	0.000	0.000
498	A	554	PRO	0	-0.017	-0.014	30.047	0.001	0.001	0.000	0.000	0.000	0.000
499	A	555	ASP	-1	-0.868	-0.930	32.128	0.185	0.185	0.000	0.000	0.000	0.000
500	A	556	LEU	0	-0.047	-0.011	28.225	0.004	0.004	0.000	0.000	0.000	0.000
501	A	557	ILE	0	-0.095	-0.049	31.421	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	558	ALA	0	-0.040	-0.019	34.113	-0.006	-0.006	0.000	0.000	0.000	0.000
503	A	559	GLY	0	-0.034	0.007	34.391	-0.009	-0.009	0.000	0.000	0.000	0.000
504	A	560	ALA	0	-0.075	-0.047	35.107	0.001	0.001	0.000	0.000	0.000	0.000
505	A	561	HIS	0	0.048	0.017	29.670	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	562	GLN	0	-0.022	-0.014	33.359	-0.017	-0.017	0.000	0.000	0.000	0.000
507	A	563	ASN	0	-0.055	-0.005	30.367	0.022	0.022	0.000	0.000	0.000	0.000
508	A	564	ALA	0	0.026	-0.002	28.185	-0.009	-0.009	0.000	0.000	0.000	0.000
509	A	565	ASP	-1	-0.932	-0.979	26.578	0.274	0.274	0.000	0.000	0.000	0.000
510	A	566	PRO	0	-0.016	0.024	23.902	0.020	0.020	0.000	0.000	0.000	0.000
511	A	567	VAL	0	-0.037	-0.029	18.794	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	568	VAL	0	0.061	0.005	21.093	0.028	0.028	0.000	0.000	0.000	0.000
513	A	569	LEU	0	-0.122	-0.060	14.740	0.072	0.072	0.000	0.000	0.000	0.000
514	A	570	ASP	-1	-0.864	-0.941	18.420	0.599	0.599	0.000	0.000	0.000	0.000
515	A	571	VAL	0	-0.009	-0.025	15.586	0.115	0.115	0.000	0.000	0.000	0.000
516	A	572	SER	0	-0.039	-0.006	15.804	-0.128	-0.128	0.000	0.000	0.000	0.000
517	A	573	TRP	0	0.006	-0.002	17.821	0.039	0.039	0.000	0.000	0.000	0.000
518	A	574	ILE	0	0.034	0.007	16.671	-0.005	-0.005	0.000	0.000	0.000	0.000
519	A	575	SER	0	-0.030	-0.026	13.700	0.035	0.035	0.000	0.000	0.000	0.000
520	A	576	LEU	0	0.049	0.021	14.802	0.103	0.103	0.000	0.000	0.000	0.000
521	A	577	TRP	0	0.023	0.014	17.208	-0.003	-0.003	0.000	0.000	0.000	0.000
522	A	578	PHE	0	0.003	-0.022	12.250	0.009	0.009	0.000	0.000	0.000	0.000
523	A	579	ALA	0	0.031	0.032	12.353	0.136	0.136	0.000	0.000	0.000	0.000
524	A	580	PHE	0	0.011	0.015	13.439	-0.058	-0.058	0.000	0.000	0.000	0.000
525	A	581	ASN	0	-0.037	-0.005	14.459	-0.120	-0.120	0.000	0.000	0.000	0.000
526	A	582	ARG	1	0.932	0.947	8.349	-1.595	-1.595	0.000	0.000	0.000	0.000
527	A	583	SER	0	0.003	0.056	10.858	0.070	0.070	0.000	0.000	0.000	0.000
528	A	584	PHE	0	0.031	0.003	5.093	0.169	0.169	0.000	0.000	0.000	0.000
529	A	585	GLU	-1	-0.872	-0.955	7.972	-0.426	-0.426	0.000	0.000	0.000	0.000
530	A	586	PRO	0	-0.005	-0.011	6.290	-0.074	-0.074	0.000	0.000	0.000	0.000
531	A	587	THR	0	0.047	0.032	3.803	-0.441	-0.091	0.009	-0.099	-0.261	0.000
532	A	588	HIS	0	0.022	-0.003	4.879	0.322	0.322	0.000	0.000	0.000	0.000
533	A	589	ARG	1	0.905	0.956	7.554	0.151	0.151	0.000	0.000	0.000	0.000
534	A	590	ASN	0	0.045	0.051	10.223	-0.148	-0.148	0.000	0.000	0.000	0.000
535	A	591	GLU	-1	-0.877	-0.994	11.355	-0.776	-0.776	0.000	0.000	0.000	0.000
536	A	592	MET	0	-0.014	0.006	14.127	0.037	0.037	0.000	0.000	0.000	0.000
537	A	593	LEU	0	-0.025	-0.014	14.574	0.031	0.031	0.000	0.000	0.000	0.000
538	A	594	GLU	-1	-0.857	-0.930	17.191	-0.303	-0.303	0.000	0.000	0.000	0.000
539	A	595	ILE	0	0.032	0.002	19.740	0.022	0.022	0.000	0.000	0.000	0.000
540	A	596	ALA	0	-0.008	-0.001	19.246	0.021	0.021	0.000	0.000	0.000	0.000
541	A	597	PRO	0	0.024	0.028	21.276	0.020	0.020	0.000	0.000	0.000	0.000
542	A	598	LEU	0	-0.017	0.000	24.504	0.011	0.011	0.000	0.000	0.000	0.000
543	A	599	ILE	0	0.037	-0.007	21.430	0.008	0.008	0.000	0.000	0.000	0.000
544	A	600	GLU	-1	-0.814	-0.900	23.056	0.050	0.050	0.000	0.000	0.000	0.000
545	A	601	SER	0	-0.007	-0.007	26.070	0.011	0.011	0.000	0.000	0.000	0.000
546	A	602	VAL	0	0.006	0.005	27.928	0.005	0.005	0.000	0.000	0.000	0.000
547	A	603	TYR	0	0.013	0.006	27.458	0.006	0.006	0.000	0.000	0.000	0.000
548	A	604	ALA	0	0.010	-0.001	29.484	0.005	0.005	0.000	0.000	0.000	0.000
549	A	605	SER	0	-0.039	-0.015	31.626	0.002	0.002	0.000	0.000	0.000	0.000
550	A	606	GLU	-1	-0.821	-0.918	32.679	-0.010	-0.010	0.000	0.000	0.000	0.000
551	A	607	LEU	0	-0.019	-0.005	30.967	0.004	0.004	0.000	0.000	0.000	0.000
552	A	608	SER	0	-0.063	-0.038	34.796	0.002	0.002	0.000	0.000	0.000	0.000
553	A	609	VAL	0	0.019	0.003	37.641	0.001	0.001	0.000	0.000	0.000	0.000
554	A	610	MET	0	0.004	0.013	35.782	0.003	0.003	0.000	0.000	0.000	0.000
555	A	611	LYS	1	0.804	0.921	37.212	-0.056	-0.056	0.000	0.000	0.000	0.000
556	A	612	VAL	0	0.017	0.006	40.723	0.001	0.001	0.000	0.000	0.000	0.000
557	A	613	ASP	-1	-0.731	-0.864	42.202	0.011	0.011	0.000	0.000	0.000	0.000
558	A	614	MET	0	-0.022	-0.014	39.373	0.002	0.002	0.000	0.000	0.000	0.000
559	A	615	ARG	1	0.887	0.949	42.488	-0.037	-0.037	0.000	0.000	0.000	0.000
560	A	616	HIS	0	-0.017	0.014	46.713	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	617	LEU	0	0.000	0.000	45.627	0.000	0.000	0.000	0.000	0.000	0.000
562	A	618	SER	0	-0.063	-0.040	47.789	0.001	0.001	0.000	0.000	0.000	0.000
563	A	619	LEU	0	-0.017	-0.010	49.546	0.000	0.000	0.000	0.000	0.000	0.000
564	A	620	MET	0	-0.028	-0.010	51.925	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	621	GLN	0	-0.004	0.016	53.592	0.000	0.000	0.000	0.000	0.000	0.000
566	A	622	ARG	1	0.923	0.944	55.499	-0.029	-0.029	0.000	0.000	0.000	0.000
567	A	623	ARG	1	0.839	0.937	55.263	-0.014	-0.014	0.000	0.000	0.000	0.000
568	A	624	PHE	0	0.011	-0.001	56.867	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	625	PRO	0	0.024	0.011	58.590	0.001	0.001	0.000	0.000	0.000	0.000
570	A	626	ASP	-1	-0.904	-0.967	60.263	0.017	0.017	0.000	0.000	0.000	0.000
571	A	627	VAL	0	-0.030	0.004	57.743	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	628	LEU	0	-0.047	-0.018	53.472	0.001	0.001	0.000	0.000	0.000	0.000
573	A	629	ILE	0	0.036	0.030	56.803	0.003	0.003	0.000	0.000	0.000	0.000
574	A	630	GLN	0	-0.040	-0.037	55.720	0.001	0.001	0.000	0.000	0.000	0.000
575	A	631	ALA	0	-0.008	0.024	52.580	0.002	0.002	0.000	0.000	0.000	0.000
576	A	632	ARG	1	0.954	0.959	49.538	-0.039	-0.039	0.000	0.000	0.000	0.000
577	A	633	PRO	0	0.039	0.016	46.387	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	634	SER	0	0.005	-0.018	44.245	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	635	HIS	0	0.044	0.017	44.410	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	636	PHE	0	0.020	0.010	45.621	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	637	TRP	0	0.043	0.020	37.381	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	638	LYS	1	0.933	0.987	41.050	-0.042	-0.042	0.000	0.000	0.000	0.000
583	A	639	ALA	0	0.051	0.017	41.570	-0.003	-0.003	0.000	0.000	0.000	0.000
584	A	640	VAL	0	0.022	0.025	39.677	-0.003	-0.003	0.000	0.000	0.000	0.000
585	A	641	LEU	0	-0.048	-0.035	36.182	-0.003	-0.003	0.000	0.000	0.000	0.000
586	A	642	ASN	0	-0.068	-0.035	37.703	-0.005	-0.005	0.000	0.000	0.000	0.000
587	A	643	ASP	-1	-0.897	-0.930	39.320	-0.006	-0.006	0.000	0.000	0.000	0.000
588	A	644	SER	0	-0.097	-0.051	36.726	-0.003	-0.003	0.000	0.000	0.000	0.000
589	A	645	PRO	0	0.026	-0.005	32.954	0.001	0.001	0.000	0.000	0.000	0.000
590	A	646	GLU	-1	-0.905	-0.974	31.181	0.001	0.001	0.000	0.000	0.000	0.000
591	A	647	ALA	0	0.021	0.032	27.358	0.011	0.011	0.000	0.000	0.000	0.000
592	A	648	VAL	0	0.041	0.010	27.751	0.013	0.013	0.000	0.000	0.000	0.000
593	A	649	LYS	1	0.922	0.966	29.319	-0.002	-0.002	0.000	0.000	0.000	0.000
594	A	650	ALA	0	-0.004	0.014	26.149	0.017	0.017	0.000	0.000	0.000	0.000
595	A	651	VAL	0	0.031	0.017	24.628	0.020	0.020	0.000	0.000	0.000	0.000
596	A	652	MET	0	-0.021	-0.006	25.917	0.022	0.022	0.000	0.000	0.000	0.000
597	A	653	ASN	0	-0.028	-0.038	28.065	0.020	0.020	0.000	0.000	0.000	0.000
598	A	654	LEU	0	0.003	0.041	21.573	0.015	0.015	0.000	0.000	0.000	0.000
599	A	655	SER	0	0.033	0.013	25.167	0.017	0.017	0.000	0.000	0.000	0.000
600	A	656	HIS	1	0.843	0.921	27.140	-0.126	-0.126	0.000	0.000	0.000	0.000
601	A	657	SER	0	-0.059	-0.022	27.378	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	658	HIS	0	-0.004	0.002	24.800	-0.015	-0.015	0.000	0.000	0.000	0.000
603	A	659	ASN	0	0.011	-0.019	28.284	-0.005	-0.005	0.000	0.000	0.000	0.000
604	A	660	PHE	0	-0.030	0.012	31.143	-0.008	-0.008	0.000	0.000	0.000	0.000
605	A	661	ILE	0	-0.004	-0.004	33.732	0.001	0.001	0.000	0.000	0.000	0.000
606	A	662	ASN	0	0.013	0.017	36.419	-0.011	-0.011	0.000	0.000	0.000	0.000
607	A	663	ILE	0	0.053	0.011	40.200	-0.002	-0.002	0.000	0.000	0.000	0.000
608	A	664	ARG	1	0.928	0.952	42.570	-0.074	-0.074	0.000	0.000	0.000	0.000
609	A	665	ASP	-1	-0.873	-0.935	37.672	0.106	0.106	0.000	0.000	0.000	0.000
610	A	666	MET	0	-0.005	0.005	36.287	0.002	0.002	0.000	0.000	0.000	0.000
611	A	667	MET	0	0.012	-0.001	40.033	-0.004	-0.004	0.000	0.000	0.000	0.000
612	A	668	ARG	1	0.949	0.987	39.067	-0.103	-0.103	0.000	0.000	0.000	0.000
613	A	669	TRP	0	0.047	0.002	34.788	-0.003	-0.003	0.000	0.000	0.000	0.000
614	A	670	VAL	0	-0.014	-0.007	39.157	-0.004	-0.004	0.000	0.000	0.000	0.000
615	A	671	LEU	0	-0.044	-0.048	41.608	-0.004	-0.004	0.000	0.000	0.000	0.000
616	A	672	LEU	0	-0.020	0.019	38.055	-0.002	-0.002	0.000	0.000	0.000	0.000
617	A	673	PRO	0	-0.061	-0.020	40.985	-0.004	-0.004	0.000	0.000	0.000	0.000
618	A	674	SER	0	0.047	0.010	37.193	0.005	0.005	0.000	0.000	0.000	0.000
619	A	675	LEU	0	-0.029	-0.028	37.775	0.003	0.003	0.000	0.000	0.000	0.000
620	A	676	GLN	0	0.016	0.040	33.009	-0.003	-0.003	0.000	0.000	0.000	0.000
621	A	677	PRO	0	-0.021	-0.006	36.195	-0.003	-0.003	0.000	0.000	0.000	0.000
622	A	678	SER	0	0.077	0.031	35.858	-0.002	-0.002	0.000	0.000	0.000	0.000
623	A	679	LEU	0	0.049	0.022	37.734	0.002	0.002	0.000	0.000	0.000	0.000
624	A	680	LYS	1	0.866	0.920	36.148	0.030	0.030	0.000	0.000	0.000	0.000
625	A	681	LEU	0	-0.015	0.020	38.808	0.002	0.002	0.000	0.000	0.000	0.000
626	A	682	VAL	0	0.024	0.014	40.765	0.002	0.002	0.000	0.000	0.000	0.000
627	A	683	LEU	0	-0.003	-0.012	43.524	0.001	0.001	0.000	0.000	0.000	0.000
628	A	684	GLU	-1	-0.855	-0.933	42.161	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	685	GLU	-1	-0.988	-0.987	44.740	0.012	0.012	0.000	0.000	0.000	0.000
630	A	686	GLU	-1	-0.879	-0.977	46.414	-0.003	-0.003	0.000	0.000	0.000	0.000
631	A	687	ALA	0	-0.047	-0.009	48.044	0.000	0.000	0.000	0.000	0.000	0.000
632	A	688	TRP	0	-0.026	-0.039	45.592	0.001	0.001	0.000	0.000	0.000	0.000
633	A	689	ALA	0	-0.028	0.008	50.301	0.002	0.002	0.000	0.000	0.000	0.000
634	A	690	ALA	0	-0.028	-0.030	52.909	0.001	0.001	0.000	0.000	0.000	0.000
635	A	691	ALA	0	-0.027	-0.004	52.502	0.000	0.000	0.000	0.000	0.000	0.000
636	A	692	ASN	0	-0.054	-0.024	54.564	0.003	0.003	0.000	0.000	0.000	0.000
637	A	693	ASP	-1	-0.812	-0.918	56.405	0.003	0.003	0.000	0.000	0.000	0.000
638	A	694	PHE	0	-0.003	-0.010	54.957	0.001	0.001	0.000	0.000	0.000	0.000
639	A	695	GLU	-1	-0.768	-0.881	59.434	0.000	0.000	0.000	0.000	0.000	0.000
640	A	696	ASP	-1	-0.860	-0.930	58.425	-0.005	-0.005	0.000	0.000	0.000	0.000
641	A	697	LEU	0	-0.076	-0.021	54.721	-0.002	-0.002	0.000	0.000	0.000	0.000
642	A	698	MET	0	-0.045	-0.018	58.002	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	699	LEU	0	-0.047	-0.033	57.478	0.000	0.000	0.000	0.000	0.000	0.000
644	A	700	THR	0	-0.003	0.006	61.736	0.001	0.001	0.000	0.000	0.000	0.000
645	A	701	ASP	-1	-0.813	-0.914	64.789	0.010	0.010	0.000	0.000	0.000	0.000
646	A	702	GLN	0	-0.067	-0.019	66.523	0.001	0.001	0.000	0.000	0.000	0.000
647	A	703	VAL	0	0.009	-0.004	68.300	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	704	TYR	0	-0.023	-0.010	71.280	0.001	0.001	0.000	0.000	0.000	0.000
649	A	705	MET	0	-0.057	-0.027	74.903	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	706	HIS	1	0.858	0.916	77.545	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	707	ARG	1	0.884	0.934	81.105	-0.002	-0.002	0.000	0.000	0.000	0.000
652	A	708	ASP	-1	-0.850	-0.923	81.906	0.000	0.000	0.000	0.000	0.000	0.000
653	A	709	MET	0	0.007	0.011	83.896	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	710	LEU	0	-0.018	0.003	81.297	0.000	0.000	0.000	0.000	0.000	0.000
655	A	711	PRO	0	-0.036	-0.008	83.626	0.000	0.000	0.000	0.000	0.000	0.000
656	A	712	GLU	-1	-0.765	-0.868	86.689	-0.005	-0.005	0.000	0.000	0.000	0.000
657	A	713	PRO	0	-0.080	-0.030	87.935	0.000	0.000	0.000	0.000	0.000	0.000
658	A	714	ARG	1	0.917	0.951	90.817	0.005	0.005	0.000	0.000	0.000	0.000
659	A	715	LEU	0	-0.011	-0.008	90.463	0.000	0.000	0.000	0.000	0.000	0.000
660	A	716	ASP	-1	-0.876	-0.930	94.253	-0.007	-0.007	0.000	0.000	0.000	0.000
661	A	717	ASP	-1	-0.893	-0.945	94.993	-0.009	-0.009	0.000	0.000	0.000	0.000
662	A	718	ILE	0	0.041	0.008	91.389	0.000	0.000	0.000	0.000	0.000	0.000
663	A	719	GLU	-1	-0.840	-0.917	90.982	-0.012	-0.012	0.000	0.000	0.000	0.000
664	A	720	ARG	1	0.882	0.947	89.395	0.007	0.007	0.000	0.000	0.000	0.000
665	A	721	PHE	0	-0.018	-0.032	86.629	0.000	0.000	0.000	0.000	0.000	0.000
666	A	722	ARG	1	0.890	0.967	85.828	0.011	0.011	0.000	0.000	0.000	0.000
667	A	723	GLN	0	-0.004	-0.047	85.160	0.000	0.000	0.000	0.000	0.000	0.000
668	A	724	GLU	-1	-0.856	-0.941	78.270	-0.010	-0.010	0.000	0.000	0.000	0.000
669	A	725	GLY	0	0.037	0.016	81.314	0.000	0.000	0.000	0.000	0.000	0.000
670	A	726	PHE	0	-0.079	-0.053	82.251	0.000	0.000	0.000	0.000	0.000	0.000
671	A	727	TYR	0	0.021	0.012	75.698	0.000	0.000	0.000	0.000	0.000	0.000
672	A	728	TYR	0	0.095	0.057	78.795	0.000	0.000	0.000	0.000	0.000	0.000
673	A	729	THR	0	-0.018	-0.006	73.891	-0.001	-0.001	0.000	0.000	0.000	0.000
674	A	730	ASN	0	-0.009	-0.003	73.564	0.000	0.000	0.000	0.000	0.000	0.000
675	A	731	MET	0	-0.051	-0.041	70.053	0.001	0.001	0.000	0.000	0.000	0.000
676	A	732	LEU	0	-0.024	0.011	74.025	0.000	0.000	0.000	0.000	0.000	0.000
677	A	733	GLU	-1	-0.932	-0.972	74.602	-0.002	-0.002	0.000	0.000	0.000	0.000
678	A	734	ALA	0	-0.011	-0.021	75.318	0.000	0.000	0.000	0.000	0.000	0.000
679	A	735	PRO	0	-0.057	-0.016	73.998	0.000	0.000	0.000	0.000	0.000	0.000
680	A	736	PRO	0	0.019	0.006	76.115	0.000	0.000	0.000	0.000	0.000	0.000
681	A	737	GLU	-1	-0.925	-0.945	78.505	0.005	0.005	0.000	0.000	0.000	0.000
682	A	738	ILE	0	0.011	-0.022	77.220	0.000	0.000	0.000	0.000	0.000	0.000
683	A	739	ASP	-1	-0.982	-0.979	79.426	0.008	0.008	0.000	0.000	0.000	0.000
684	A	740	ARG	1	0.943	0.990	82.227	-0.004	-0.004	0.000	0.000	0.000	0.000
685	A	741	VAL	0	-0.047	-0.026	76.541	0.000	0.000	0.000	0.000	0.000	0.000
686	A	742	VAL	0	-0.013	-0.004	79.245	0.001	0.001	0.000	0.000	0.000	0.000
687	A	743	GLN	0	0.008	-0.017	71.159	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	744	TYR	0	-0.008	-0.014	74.515	0.000	0.000	0.000	0.000	0.000	0.000
689	A	745	THR	0	0.061	0.034	70.211	0.000	0.000	0.000	0.000	0.000	0.000
690	A	746	TYR	0	-0.015	-0.015	66.063	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	747	GLU	-1	-0.874	-0.967	69.599	0.017	0.017	0.000	0.000	0.000	0.000
692	A	748	ILE	0	0.022	0.017	73.087	0.000	0.000	0.000	0.000	0.000	0.000
693	A	749	ALA	0	0.036	0.016	74.553	0.000	0.000	0.000	0.000	0.000	0.000
694	A	750	ARG	1	0.899	0.966	68.359	-0.015	-0.015	0.000	0.000	0.000	0.000
695	A	751	LEU	0	0.042	0.015	75.925	0.000	0.000	0.000	0.000	0.000	0.000
696	A	752	GLN	0	0.048	0.033	78.993	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	753	ALA	0	0.003	0.004	78.163	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	754	ASN	0	-0.060	-0.024	79.095	0.000	0.000	0.000	0.000	0.000	0.000
699	A	755	MET	0	-0.045	-0.018	80.821	0.000	0.000	0.000	0.000	0.000	0.000
700	A	756	GLY	0	-0.003	0.011	83.244	0.000	0.000	0.000	0.000	0.000	0.000
701	A	757	GLN	0	-0.028	-0.031	83.842	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	758	PHE	0	-0.043	-0.004	76.525	0.000	0.000	0.000	0.000	0.000	0.000
703	A	759	ARG	1	1.004	0.990	80.559	-0.005	-0.005	0.000	0.000	0.000	0.000
704	A	760	ALA	0	0.023	0.010	83.344	0.000	0.000	0.000	0.000	0.000	0.000
705	A	761	ALA	0	0.002	0.010	82.983	0.000	0.000	0.000	0.000	0.000	0.000
706	A	762	LEU	0	0.021	0.004	78.611	0.000	0.000	0.000	0.000	0.000	0.000
707	A	763	ARG	1	0.909	0.960	82.952	-0.003	-0.003	0.000	0.000	0.000	0.000
708	A	764	ARG	1	0.977	0.989	86.095	-0.007	-0.007	0.000	0.000	0.000	0.000
709	A	765	ILE	0	0.053	0.034	81.935	0.000	0.000	0.000	0.000	0.000	0.000
710	A	766	MET	0	-0.037	-0.003	81.032	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	767	ASP	-1	-0.957	-0.988	85.243	0.002	0.002	0.000	0.000	0.000	0.000
712	A	768	ASP	-1	-0.918	-0.944	87.582	0.005	0.005	0.000	0.000	0.000	0.000
713	A	769	ASP	-1	-0.984	-0.975	86.770	0.002	0.002	0.000	0.000	0.000	0.000
714	A	770	ASP	-1	-0.864	-0.961	83.917	0.005	0.005	0.000	0.000	0.000	0.000
715	A	771	TRP	0	0.002	-0.006	78.129	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	772	VAL	0	0.001	0.003	76.877	0.001	0.001	0.000	0.000	0.000	0.000
717	A	773	ARG	1	0.897	0.945	68.718	-0.010	-0.010	0.000	0.000	0.000	0.000
718	A	774	PHE	0	0.003	-0.003	71.668	0.001	0.001	0.000	0.000	0.000	0.000
719	A	775	GLY	0	-0.035	-0.026	68.519	-0.001	-0.001	0.000	0.000	0.000	0.000
720	A	776	GLY	0	0.033	0.023	67.129	0.000	0.000	0.000	0.000	0.000	0.000
721	A	777	VAL	0	0.010	0.018	61.979	0.001	0.001	0.000	0.000	0.000	0.000
722	A	778	LEU	0	0.020	-0.010	58.825	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	779	ARG	1	0.905	0.968	62.076	-0.007	-0.007	0.000	0.000	0.000	0.000
724	A	780	THR	0	0.004	0.005	59.239	0.000	0.000	0.000	0.000	0.000	0.000
725	A	781	VAL	0	0.022	0.013	61.833	0.000	0.000	0.000	0.000	0.000	0.000
726	A	782	ARG	1	0.902	0.949	59.683	0.006	0.006	0.000	0.000	0.000	0.000
727	A	783	VAL	0	0.029	0.009	65.087	0.001	0.001	0.000	0.000	0.000	0.000
728	A	784	LYS	1	0.913	0.968	66.778	0.009	0.009	0.000	0.000	0.000	0.000
729	A	785	PHE	0	0.019	0.007	67.701	0.001	0.001	0.000	0.000	0.000	0.000
730	A	786	PHE	0	-0.023	-0.023	72.144	0.000	0.000	0.000	0.000	0.000	0.000
731	A	787	ASP	-1	-0.868	-0.934	75.345	-0.015	-0.015	0.000	0.000	0.000	0.000
732	A	788	ALA	0	0.013	-0.002	77.970	0.000	0.000	0.000	0.000	0.000	0.000
733	A	789	ARG	1	0.935	0.962	79.006	0.007	0.007	0.000	0.000	0.000	0.000
734	A	790	PRO	0	0.021	0.021	76.024	0.000	0.000	0.000	0.000	0.000	0.000
735	A	791	PRO	0	-0.011	0.004	73.810	0.000	0.000	0.000	0.000	0.000	0.000
736	A	792	ASP	-1	-0.825	-0.934	77.061	-0.005	-0.005	0.000	0.000	0.000	0.000
737	A	793	ASP	-1	-0.950	-0.969	73.023	-0.005	-0.005	0.000	0.000	0.000	0.000
738	A	794	ILE	0	-0.063	-0.042	70.788	0.001	0.001	0.000	0.000	0.000	0.000
739	A	795	LEU	0	-0.055	-0.008	74.567	0.001	0.001	0.000	0.000	0.000	0.000
740	A	796	GLN	0	-0.020	-0.029	78.086	0.000	0.000	0.000	0.000	0.000	0.000
741	A	797	GLY	0	0.053	0.050	74.363	0.001	0.001	0.000	0.000	0.000	0.000
742	A	798	LEU	0	-0.049	-0.027	75.078	0.001	0.001	0.000	0.000	0.000	0.000
743	A	799	PRO	0	0.016	0.008	71.397	0.000	0.000	0.000	0.000	0.000	0.000
744	A	800	PHE	0	-0.040	-0.036	71.127	0.001	0.001	0.000	0.000	0.000	0.000
745	A	801	SER	0	-0.011	0.018	71.019	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	802	TYR	0	0.008	-0.030	72.905	0.001	0.001	0.000	0.000	0.000	0.000
747	A	803	ASP	-1	-0.877	-0.918	73.757	0.004	0.004	0.000	0.000	0.000	0.000
748	A	804	THR	0	-0.042	-0.045	75.887	0.001	0.001	0.000	0.000	0.000	0.000
749	A	805	ASN	0	-0.013	0.006	73.532	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	806	GLU	-1	-0.894	-0.954	77.022	0.009	0.009	0.000	0.000	0.000	0.000
751	A	807	LYS	1	0.924	0.966	70.710	-0.012	-0.012	0.000	0.000	0.000	0.000
752	A	808	GLY	0	0.008	-0.007	77.364	0.001	0.001	0.000	0.000	0.000	0.000
753	A	809	GLY	0	0.032	0.018	79.146	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	810	LEU	0	-0.067	-0.055	76.994	0.000	0.000	0.000	0.000	0.000	0.000
755	A	811	SER	0	0.044	0.058	78.897	0.000	0.000	0.000	0.000	0.000	0.000
756	A	812	TYR	0	-0.054	-0.027	72.844	0.001	0.001	0.000	0.000	0.000	0.000
757	A	813	ALA	0	0.045	0.012	74.912	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	814	THR	0	-0.083	-0.040	69.632	0.001	0.001	0.000	0.000	0.000	0.000
759	A	815	ILE	0	-0.015	-0.011	71.417	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	816	LYS	1	0.949	0.982	65.769	-0.006	-0.006	0.000	0.000	0.000	0.000
761	A	817	TYR	0	0.022	0.007	67.672	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	818	ALA	0	0.014	0.010	66.674	0.000	0.000	0.000	0.000	0.000	0.000
763	A	819	THR	0	0.030	0.016	60.979	0.001	0.001	0.000	0.000	0.000	0.000
764	A	820	GLU	-1	-0.939	-0.966	62.416	-0.005	-0.005	0.000	0.000	0.000	0.000
765	A	821	THR	0	-0.003	-0.006	65.091	0.001	0.001	0.000	0.000	0.000	0.000
766	A	822	THR	0	-0.052	-0.031	66.958	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	823	ILE	0	0.022	0.031	68.181	0.001	0.001	0.000	0.000	0.000	0.000
768	A	824	PHE	0	-0.026	-0.031	70.197	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	825	TYR	0	0.015	-0.003	70.536	0.001	0.001	0.000	0.000	0.000	0.000
770	A	826	LEU	0	-0.037	-0.009	74.830	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	827	ILE	0	0.017	0.009	75.403	0.000	0.000	0.000	0.000	0.000	0.000
772	A	828	TYR	0	-0.074	-0.054	79.165	0.000	0.000	0.000	0.000	0.000	0.000
773	A	829	ASN	0	-0.021	-0.007	80.229	0.000	0.000	0.000	0.000	0.000	0.000
774	A	830	VAL	0	-0.005	-0.002	83.731	0.000	0.000	0.000	0.000	0.000	0.000
775	A	831	GLU	-1	-0.922	-0.975	86.765	-0.014	-0.014	0.000	0.000	0.000	0.000
776	A	832	PHE	0	-0.008	-0.015	89.775	0.001	0.001	0.000	0.000	0.000	0.000
777	A	833	SER	0	-0.055	-0.009	92.840	0.000	0.000	0.000	0.000	0.000	0.000
778	A	834	ASN	0	-0.035	-0.017	90.615	0.000	0.000	0.000	0.000	0.000	0.000
779	A	835	THR	0	0.011	0.022	94.191	0.000	0.000	0.000	0.000	0.000	0.000
780	A	836	PRO	0	0.008	-0.005	95.343	0.000	0.000	0.000	0.000	0.000	0.000
781	A	837	ASP	-1	-0.875	-0.949	95.531	-0.006	-0.006	0.000	0.000	0.000	0.000
782	A	838	SER	0	-0.092	-0.068	93.336	0.000	0.000	0.000	0.000	0.000	0.000
783	A	839	LEU	0	0.053	0.027	87.930	0.000	0.000	0.000	0.000	0.000	0.000
784	A	840	VAL	0	-0.063	-0.012	91.049	0.000	0.000	0.000	0.000	0.000	0.000
785	A	841	LEU	0	-0.052	-0.026	89.439	0.000	0.000	0.000	0.000	0.000	0.000
786	A	842	ILE	0	-0.051	-0.028	93.879	0.000	0.000	0.000	0.000	0.000	0.000
787	A	843	ASN	0	-0.041	-0.016	92.340	0.001	0.001	0.000	0.000	0.000	0.000
788	A	844	PRO	0	0.062	0.040	88.931	0.000	0.000	0.000	0.000	0.000	0.000
789	A	845	THR	0	-0.007	-0.003	84.098	0.000	0.000	0.000	0.000	0.000	0.000
790	A	846	TYR	0	-0.018	-0.030	83.927	0.000	0.000	0.000	0.000	0.000	0.000
791	A	847	THR	0	-0.012	-0.011	78.193	-0.001	-0.001	0.000	0.000	0.000	0.000
792	A	848	MET	0	-0.012	-0.002	78.137	0.000	0.000	0.000	0.000	0.000	0.000
793	A	849	THR	0	0.022	0.028	72.223	0.001	0.001	0.000	0.000	0.000	0.000
794	A	850	LYS	1	0.873	0.956	75.082	0.000	0.000	0.000	0.000	0.000	0.000
795	A	851	VAL	0	0.011	0.000	68.893	0.001	0.001	0.000	0.000	0.000	0.000
796	A	852	PHE	0	-0.025	-0.007	70.787	0.000	0.000	0.000	0.000	0.000	0.000
797	A	853	ILE	0	0.063	0.020	66.023	0.001	0.001	0.000	0.000	0.000	0.000
798	A	854	ASN	0	-0.053	0.004	68.491	-0.002	-0.002	0.000	0.000	0.000	0.000
799	A	855	LYS	1	0.921	0.957	62.572	0.002	0.002	0.000	0.000	0.000	0.000
800	A	856	ARG	1	0.852	0.932	67.279	0.007	0.007	0.000	0.000	0.000	0.000
801	A	857	ILE	0	0.012	0.017	65.731	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	858	VAL	0	-0.027	-0.016	67.894	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	859	GLU	-1	-0.886	-0.953	70.841	-0.007	-0.007	0.000	0.000	0.000	0.000
804	A	860	ARG	1	0.959	0.980	73.762	0.007	0.007	0.000	0.000	0.000	0.000
805	A	861	VAL	0	-0.006	-0.014	73.235	0.000	0.000	0.000	0.000	0.000	0.000
806	A	862	ARG	1	0.843	0.917	76.614	0.011	0.011	0.000	0.000	0.000	0.000
807	A	863	VAL	0	0.093	0.044	77.275	0.000	0.000	0.000	0.000	0.000	0.000
808	A	864	GLY	0	0.038	0.018	76.320	-0.001	-0.001	0.000	0.000	0.000	0.000
809	A	865	GLN	0	-0.051	-0.017	75.190	0.000	0.000	0.000	0.000	0.000	0.000
810	A	866	ILE	0	0.021	0.017	71.216	0.000	0.000	0.000	0.000	0.000	0.000
811	A	867	LEU	0	0.053	0.008	69.903	0.000	0.000	0.000	0.000	0.000	0.000
812	A	868	ALA	0	-0.007	0.008	70.059	0.000	0.000	0.000	0.000	0.000	0.000
813	A	869	VAL	0	-0.022	-0.024	66.565	0.000	0.000	0.000	0.000	0.000	0.000
814	A	870	LEU	0	-0.019	0.003	65.739	0.000	0.000	0.000	0.000	0.000	0.000
815	A	871	ASN	0	-0.004	0.010	65.061	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	872	ARG	1	0.893	0.949	60.413	0.013	0.013	0.000	0.000	0.000	0.000
817	A	873	ARG	1	0.987	1.020	57.516	0.019	0.019	0.000	0.000	0.000	0.000
818	A	874	PHE	0	-0.027	-0.016	55.602	0.000	0.000	0.000	0.000	0.000	0.000
819	A	875	VAL	0	-0.006	0.008	53.346	0.000	0.000	0.000	0.000	0.000	0.000
820	A	876	ALA	0	0.026	0.020	53.422	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	877	TYR	0	-0.011	-0.041	48.717	-0.001	-0.001	0.000	0.000	0.000	0.000
822	A	878	LYS	1	1.022	1.003	52.188	0.038	0.038	0.000	0.000	0.000	0.000
823	A	879	GLY	0	0.088	0.033	51.714	-0.002	-0.002	0.000	0.000	0.000	0.000
824	A	880	LYS	1	0.864	0.935	51.302	0.050	0.050	0.000	0.000	0.000	0.000
825	A	881	MET	0	0.004	0.042	48.938	-0.003	-0.003	0.000	0.000	0.000	0.000
826	A	882	ARG	1	0.896	0.970	42.350	0.084	0.084	0.000	0.000	0.000	0.000
827	A	883	ILE	0	0.051	0.032	43.149	0.002	0.002	0.000	0.000	0.000	0.000
828	A	884	MET	0	-0.032	-0.030	38.805	-0.006	-0.006	0.000	0.000	0.000	0.000
829	A	885	ASP	-1	-0.809	-0.851	35.213	-0.085	-0.085	0.000	0.000	0.000	0.000
830	A	886	ILE	0	0.017	0.003	34.192	-0.007	-0.007	0.000	0.000	0.000	0.000
831	A	887	THR	0	-0.026	-0.042	32.343	0.002	0.002	0.000	0.000	0.000	0.000
832	A	888	GLN	0	0.008	-0.004	29.244	-0.011	-0.011	0.000	0.000	0.000	0.000
833	A	889	SER	0	-0.028	-0.019	28.526	-0.014	-0.014	0.000	0.000	0.000	0.000
834	A	890	LEU	0	-0.032	-0.016	28.089	-0.007	-0.007	0.000	0.000	0.000	0.000
835	A	891	LYS	1	0.945	0.997	23.663	0.197	0.197	0.000	0.000	0.000	0.000
836	A	892	MET	0	-0.032	-0.011	23.256	-0.028	-0.028	0.000	0.000	0.000	0.000
837	A	893	GLY	0	0.064	0.014	22.995	0.026	0.026	0.000	0.000	0.000	0.000
838	A	894	THR	0	-0.025	-0.005	19.403	-0.025	-0.025	0.000	0.000	0.000	0.000
839	A	895	LYS	1	0.824	0.936	13.628	0.424	0.424	0.000	0.000	0.000	0.000
840	A	896	LEU	0	-0.050	-0.014	16.579	-0.047	-0.047	0.000	0.000	0.000	0.000
841	A	897	ALA	0	-0.001	0.002	14.002	0.016	0.016	0.000	0.000	0.000	0.000
842	A	898	ALA	0	0.027	0.019	12.035	0.084	0.084	0.000	0.000	0.000	0.000
843	A	899	PRO	0	-0.049	-0.035	14.152	-0.058	-0.058	0.000	0.000	0.000	0.000
844	A	900	THR	0	-0.010	0.020	10.816	-0.081	-0.081	0.000	0.000	0.000	0.000
845	A	901	VAL	0	-0.034	-0.015	11.838	0.049	0.049	0.000	0.000	0.000	0.000

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