FMO DATABASE

FMODB ID: 496KN

Calculation Name: 2X0S-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2X0S

Chain ID: A

ChEMBL ID:

UniProt ID: O76283

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	903
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23129632.619019
FMO2-HF: Nuclear repulsion	22775179.938141
FMO2-HF: Total energy	-354452.680878
FMO2-MP2: Total energy	-355465.461862

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

Summations of interaction energy for fragment #1(A:1: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.
-2.879	1.971	-0.018	-2.659	-2.173	0.002

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.038 / q_NPA : 0.017

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	LYS	1	0.830	0.920	3.259	-3.336	1.271	-0.016	-2.636	-1.956	0.002
4	A	4	LYS	1	0.817	0.895	4.383	0.345	0.506	-0.001	-0.017	-0.142	0.000
5	A	5	TRP	0	-0.029	-0.035	6.920	-0.164	-0.164	0.000	0.000	0.000	0.000
6	A	6	VAL	0	-0.021	-0.010	9.386	-0.015	-0.015	0.000	0.000	0.000	0.000
7	A	7	TYR	0	-0.030	-0.022	10.547	-0.045	-0.045	0.000	0.000	0.000	0.000
8	A	8	TYR	0	-0.033	-0.054	13.194	0.016	0.016	0.000	0.000	0.000	0.000
9	A	9	PHE	0	-0.010	-0.010	15.104	-0.032	-0.032	0.000	0.000	0.000	0.000
10	A	10	GLY	0	0.055	0.018	18.680	0.018	0.018	0.000	0.000	0.000	0.000
11	A	11	GLY	0	0.036	0.048	19.760	-0.008	-0.008	0.000	0.000	0.000	0.000
12	A	12	GLY	0	-0.053	-0.039	20.687	-0.010	-0.010	0.000	0.000	0.000	0.000
13	A	13	ASN	0	-0.077	-0.037	16.467	-0.010	-0.010	0.000	0.000	0.000	0.000
14	A	14	ALA	0	0.009	0.003	17.215	-0.012	-0.012	0.000	0.000	0.000	0.000
15	A	15	ASP	-1	-0.729	-0.805	11.671	-0.018	-0.018	0.000	0.000	0.000	0.000
16	A	16	GLY	0	-0.003	-0.014	13.717	-0.040	-0.040	0.000	0.000	0.000	0.000
17	A	17	ASN	0	0.020	-0.013	16.308	0.019	0.019	0.000	0.000	0.000	0.000
18	A	18	LYS	1	0.929	0.956	19.939	0.065	0.065	0.000	0.000	0.000	0.000
19	A	19	ASN	0	-0.022	-0.019	21.618	0.020	0.020	0.000	0.000	0.000	0.000
20	A	20	MET	0	0.022	0.059	15.223	0.007	0.007	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.929	0.962	19.445	0.081	0.081	0.000	0.000	0.000	0.000
22	A	22	GLU	-1	-0.871	-0.934	19.930	-0.085	-0.085	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.015	0.021	14.227	0.008	0.008	0.000	0.000	0.000	0.000
24	A	24	LEU	0	0.018	-0.004	15.361	0.028	0.028	0.000	0.000	0.000	0.000
25	A	25	GLY	0	0.082	0.046	18.632	0.017	0.017	0.000	0.000	0.000	0.000
26	A	26	GLY	0	-0.036	-0.036	22.223	-0.004	-0.004	0.000	0.000	0.000	0.000
27	A	27	LYS	1	0.853	0.925	24.578	-0.024	-0.024	0.000	0.000	0.000	0.000
28	A	28	GLY	0	0.088	0.052	20.560	0.003	0.003	0.000	0.000	0.000	0.000
29	A	29	ALA	0	-0.031	-0.008	21.279	-0.006	-0.006	0.000	0.000	0.000	0.000
30	A	30	ASN	0	0.048	0.015	22.268	-0.010	-0.010	0.000	0.000	0.000	0.000
31	A	31	LEU	0	-0.030	-0.003	22.351	0.000	0.000	0.000	0.000	0.000	0.000
32	A	32	ALA	0	0.025	0.010	19.758	0.001	0.001	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.851	-0.916	21.507	-0.057	-0.057	0.000	0.000	0.000	0.000
34	A	34	MET	0	-0.005	-0.004	24.744	-0.001	-0.001	0.000	0.000	0.000	0.000
35	A	35	VAL	0	-0.018	0.004	21.100	0.001	0.001	0.000	0.000	0.000	0.000
36	A	36	ASN	0	0.003	0.003	19.589	0.009	0.009	0.000	0.000	0.000	0.000
37	A	37	LEU	0	-0.028	-0.003	23.644	-0.004	-0.004	0.000	0.000	0.000	0.000
38	A	38	GLY	0	-0.002	0.008	26.142	0.001	0.001	0.000	0.000	0.000	0.000
39	A	39	ILE	0	-0.039	-0.018	27.274	0.004	0.004	0.000	0.000	0.000	0.000
40	A	40	PRO	0	0.024	0.014	27.242	0.001	0.001	0.000	0.000	0.000	0.000
41	A	41	VAL	0	0.019	-0.002	25.077	0.004	0.004	0.000	0.000	0.000	0.000
42	A	42	PRO	0	-0.016	-0.005	25.358	0.002	0.002	0.000	0.000	0.000	0.000
43	A	43	PRO	0	0.058	0.025	20.861	-0.001	-0.001	0.000	0.000	0.000	0.000
44	A	44	GLY	0	0.010	-0.011	19.485	0.009	0.009	0.000	0.000	0.000	0.000
45	A	45	PHE	0	-0.021	-0.005	14.831	0.003	0.003	0.000	0.000	0.000	0.000
46	A	46	THR	0	-0.025	-0.017	16.127	0.000	0.000	0.000	0.000	0.000	0.000
47	A	47	ILE	0	-0.011	-0.004	13.437	0.002	0.002	0.000	0.000	0.000	0.000
48	A	48	THR	0	0.025	-0.003	12.765	-0.001	-0.001	0.000	0.000	0.000	0.000
49	A	49	THR	0	-0.032	-0.037	15.167	0.021	0.021	0.000	0.000	0.000	0.000
50	A	50	GLU	-1	-0.777	-0.875	12.512	-0.172	-0.172	0.000	0.000	0.000	0.000
51	A	51	ALA	0	-0.001	0.021	13.301	0.015	0.015	0.000	0.000	0.000	0.000
52	A	52	CYS	0	-0.082	-0.003	14.851	0.013	0.013	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.794	0.874	17.758	0.024	0.024	0.000	0.000	0.000	0.000
54	A	54	THR	0	-0.007	-0.028	13.828	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	55	TYR	0	-0.086	-0.068	16.946	0.013	0.013	0.000	0.000	0.000	0.000
56	A	56	GLN	0	-0.009	-0.019	19.163	-0.013	-0.013	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.830	-0.884	18.348	-0.005	-0.005	0.000	0.000	0.000	0.000
58	A	58	THR	0	0.002	-0.004	17.376	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	59	GLU	-1	-0.831	-0.861	19.030	0.130	0.130	0.000	0.000	0.000	0.000
60	A	60	THR	0	-0.099	-0.053	15.993	0.024	0.024	0.000	0.000	0.000	0.000
61	A	61	ILE	0	0.000	-0.017	12.649	-0.025	-0.025	0.000	0.000	0.000	0.000
62	A	62	PRO	0	0.029	0.018	9.688	0.048	0.048	0.000	0.000	0.000	0.000
63	A	63	GLN	0	0.008	-0.009	8.180	-0.108	-0.108	0.000	0.000	0.000	0.000
64	A	64	GLU	-1	-0.822	-0.904	4.652	0.761	0.843	-0.001	-0.006	-0.075	0.000
65	A	65	VAL	0	-0.021	-0.010	6.181	-0.082	-0.082	0.000	0.000	0.000	0.000
66	A	66	ALA	0	0.012	0.002	9.273	-0.068	-0.068	0.000	0.000	0.000	0.000
67	A	67	ASP	-1	-0.747	-0.861	6.943	1.052	1.052	0.000	0.000	0.000	0.000
68	A	68	GLN	0	0.039	0.020	5.091	-0.360	-0.360	0.000	0.000	0.000	0.000
69	A	69	VAL	0	0.007	0.005	7.844	-0.155	-0.155	0.000	0.000	0.000	0.000
70	A	70	ARG	1	0.846	0.918	10.795	-0.725	-0.725	0.000	0.000	0.000	0.000
71	A	71	GLU	-1	-0.895	-0.939	6.876	0.549	0.549	0.000	0.000	0.000	0.000
72	A	72	ASN	0	-0.020	-0.016	9.966	-0.135	-0.135	0.000	0.000	0.000	0.000
73	A	73	VAL	0	0.014	0.009	12.721	-0.047	-0.047	0.000	0.000	0.000	0.000
74	A	74	SER	0	-0.010	-0.007	12.767	-0.043	-0.043	0.000	0.000	0.000	0.000
75	A	75	ARG	1	0.786	0.870	11.508	-0.101	-0.101	0.000	0.000	0.000	0.000
76	A	76	VAL	0	0.046	0.027	15.791	-0.022	-0.022	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.804	-0.880	18.078	0.209	0.209	0.000	0.000	0.000	0.000
78	A	78	LYS	1	0.881	0.940	14.681	-0.236	-0.236	0.000	0.000	0.000	0.000
79	A	79	GLU	-1	-0.794	-0.868	19.839	0.033	0.033	0.000	0.000	0.000	0.000
80	A	80	MET	0	-0.054	-0.023	21.741	-0.016	-0.016	0.000	0.000	0.000	0.000
81	A	81	GLY	0	-0.012	0.004	23.392	-0.009	-0.009	0.000	0.000	0.000	0.000
82	A	82	ALA	0	-0.025	0.001	23.696	-0.003	-0.003	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.861	0.902	19.638	-0.204	-0.204	0.000	0.000	0.000	0.000
84	A	84	PHE	0	-0.037	-0.018	19.448	-0.009	-0.009	0.000	0.000	0.000	0.000
85	A	85	GLY	0	0.007	-0.013	21.918	0.018	0.018	0.000	0.000	0.000	0.000
86	A	86	ASP	-1	-0.832	-0.901	24.468	0.125	0.125	0.000	0.000	0.000	0.000
87	A	87	PRO	0	0.003	-0.009	26.582	-0.008	-0.008	0.000	0.000	0.000	0.000
88	A	88	ALA	0	-0.025	-0.007	29.828	-0.010	-0.010	0.000	0.000	0.000	0.000
89	A	89	ASN	0	-0.067	-0.047	27.599	-0.012	-0.012	0.000	0.000	0.000	0.000
90	A	90	PRO	0	0.029	0.033	26.672	0.007	0.007	0.000	0.000	0.000	0.000
91	A	91	LEU	0	-0.016	-0.008	20.846	-0.009	-0.009	0.000	0.000	0.000	0.000
92	A	92	LEU	0	-0.016	-0.014	24.866	0.008	0.008	0.000	0.000	0.000	0.000
93	A	93	PHE	0	0.009	-0.010	18.965	-0.004	-0.004	0.000	0.000	0.000	0.000
94	A	94	SER	0	-0.043	-0.018	24.437	-0.007	-0.007	0.000	0.000	0.000	0.000
95	A	95	VAL	0	-0.018	-0.012	21.766	0.006	0.006	0.000	0.000	0.000	0.000
96	A	96	ARG	1	0.912	0.957	23.560	-0.060	-0.060	0.000	0.000	0.000	0.000
97	A	97	SER	0	0.043	0.023	23.526	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.004	-0.002	22.232	-0.007	-0.007	0.000	0.000	0.000	0.000
99	A	99	ALA	0	-0.003	-0.023	23.195	-0.011	-0.011	0.000	0.000	0.000	0.000
100	A	100	ALA	0	0.014	-0.006	26.012	0.005	0.005	0.000	0.000	0.000	0.000
101	A	101	ALA	0	-0.029	-0.002	29.306	0.001	0.001	0.000	0.000	0.000	0.000
102	A	102	SER	0	0.020	-0.013	31.167	0.002	0.002	0.000	0.000	0.000	0.000
103	A	103	MET	0	-0.010	-0.001	26.424	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	104	PRO	0	0.038	0.051	31.411	0.000	0.000	0.000	0.000	0.000	0.000
105	A	105	GLY	0	0.042	0.007	32.326	0.003	0.003	0.000	0.000	0.000	0.000
106	A	106	MET	0	-0.024	0.032	32.607	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	107	MET	0	0.015	-0.004	28.024	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	108	ASP	-1	-0.848	-0.906	28.191	0.054	0.054	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.033	-0.030	28.027	0.000	0.000	0.000	0.000	0.000	0.000
110	A	110	VAL	0	0.025	0.032	26.952	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	111	LEU	0	0.011	-0.018	27.764	0.001	0.001	0.000	0.000	0.000	0.000
112	A	112	ASN	0	0.019	-0.013	29.145	0.001	0.001	0.000	0.000	0.000	0.000
113	A	113	LEU	0	0.023	0.025	22.692	0.003	0.003	0.000	0.000	0.000	0.000
114	A	114	GLY	0	0.026	-0.008	25.057	0.004	0.004	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.045	0.001	25.851	0.001	0.001	0.000	0.000	0.000	0.000
116	A	116	ASN	0	0.025	0.032	27.552	-0.005	-0.005	0.000	0.000	0.000	0.000
117	A	117	LYS	1	0.936	0.951	30.711	-0.085	-0.085	0.000	0.000	0.000	0.000
118	A	118	VAL	0	0.072	0.042	31.414	-0.004	-0.004	0.000	0.000	0.000	0.000
119	A	119	THR	0	-0.030	-0.034	29.424	-0.003	-0.003	0.000	0.000	0.000	0.000
120	A	120	VAL	0	-0.021	-0.007	31.871	-0.006	-0.006	0.000	0.000	0.000	0.000
121	A	121	ASP	-1	-0.881	-0.960	34.979	0.080	0.080	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.010	0.004	34.124	-0.004	-0.004	0.000	0.000	0.000	0.000
123	A	123	TRP	0	-0.042	-0.020	33.130	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	124	VAL	0	0.020	0.004	36.029	-0.005	-0.005	0.000	0.000	0.000	0.000
125	A	125	ARG	1	0.880	0.946	39.418	-0.066	-0.066	0.000	0.000	0.000	0.000
126	A	126	ARG	1	0.832	0.926	32.413	-0.084	-0.084	0.000	0.000	0.000	0.000
127	A	127	ALA	0	-0.004	0.003	38.844	-0.002	-0.002	0.000	0.000	0.000	0.000
128	A	128	PRO	0	0.069	0.030	40.579	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	129	ARG	1	0.797	0.870	43.554	-0.037	-0.037	0.000	0.000	0.000	0.000
130	A	130	LEU	0	-0.021	0.002	38.522	-0.002	-0.002	0.000	0.000	0.000	0.000
131	A	131	GLU	-1	-0.820	-0.902	40.798	0.056	0.056	0.000	0.000	0.000	0.000
132	A	132	ARG	1	0.790	0.879	41.678	-0.039	-0.039	0.000	0.000	0.000	0.000
133	A	133	PHE	0	0.028	0.012	36.218	0.000	0.000	0.000	0.000	0.000	0.000
134	A	134	VAL	0	0.021	0.023	35.713	0.002	0.002	0.000	0.000	0.000	0.000
135	A	135	TYR	0	0.003	-0.023	37.208	0.005	0.005	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.779	-0.876	39.153	0.048	0.048	0.000	0.000	0.000	0.000
137	A	137	SER	0	-0.035	-0.024	34.781	0.000	0.000	0.000	0.000	0.000	0.000
138	A	138	TYR	0	0.007	0.004	32.029	0.002	0.002	0.000	0.000	0.000	0.000
139	A	139	ARG	1	0.848	0.901	35.438	-0.046	-0.046	0.000	0.000	0.000	0.000
140	A	140	ARG	1	0.825	0.929	35.955	-0.048	-0.048	0.000	0.000	0.000	0.000
141	A	141	PHE	0	-0.007	-0.011	27.668	0.001	0.001	0.000	0.000	0.000	0.000
142	A	142	ILE	0	0.020	0.003	32.607	0.003	0.003	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.006	-0.007	34.306	0.001	0.001	0.000	0.000	0.000	0.000
144	A	144	MET	0	-0.045	-0.016	31.764	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	145	TYR	0	-0.006	-0.005	26.092	0.006	0.006	0.000	0.000	0.000	0.000
146	A	146	ALA	0	0.031	0.006	30.945	0.004	0.004	0.000	0.000	0.000	0.000
147	A	147	ASP	-1	-0.897	-0.947	33.618	0.058	0.058	0.000	0.000	0.000	0.000
148	A	148	ILE	0	-0.016	-0.003	28.608	0.002	0.002	0.000	0.000	0.000	0.000
149	A	149	VAL	0	-0.048	-0.037	25.949	0.004	0.004	0.000	0.000	0.000	0.000
150	A	150	MET	0	-0.014	-0.003	28.213	0.011	0.011	0.000	0.000	0.000	0.000
151	A	151	GLN	0	-0.057	-0.006	30.617	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	152	VAL	0	0.028	0.018	33.400	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	153	GLY	0	0.021	0.022	36.171	-0.003	-0.003	0.000	0.000	0.000	0.000
154	A	154	ARG	1	0.800	0.860	37.858	-0.045	-0.045	0.000	0.000	0.000	0.000
155	A	155	GLU	-1	-0.866	-0.924	40.454	0.046	0.046	0.000	0.000	0.000	0.000
156	A	156	ASP	-1	-0.765	-0.862	42.179	0.052	0.052	0.000	0.000	0.000	0.000
157	A	157	PHE	0	0.017	0.003	37.633	0.000	0.000	0.000	0.000	0.000	0.000
158	A	158	GLU	-1	-0.812	-0.875	42.713	0.041	0.041	0.000	0.000	0.000	0.000
159	A	159	GLU	-1	-0.818	-0.867	45.180	0.037	0.037	0.000	0.000	0.000	0.000
160	A	160	ALA	0	-0.026	-0.002	44.845	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	161	LEU	0	-0.038	-0.014	44.399	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	162	SER	0	-0.065	-0.053	46.920	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	163	ARG	1	0.883	0.898	49.413	-0.041	-0.041	0.000	0.000	0.000	0.000
164	A	164	MET	0	-0.112	-0.028	48.084	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	165	LYS	1	0.819	0.893	48.193	-0.036	-0.036	0.000	0.000	0.000	0.000
166	A	166	GLU	-1	-0.880	-0.938	52.365	0.032	0.032	0.000	0.000	0.000	0.000
167	A	167	ARG	1	0.808	0.888	51.012	-0.042	-0.042	0.000	0.000	0.000	0.000
168	A	168	ARG	1	0.760	0.851	51.636	-0.038	-0.038	0.000	0.000	0.000	0.000
169	A	169	GLY	0	0.001	0.026	55.639	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	170	THR	0	-0.090	-0.073	53.832	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	171	LYS	1	0.985	0.993	53.379	-0.023	-0.023	0.000	0.000	0.000	0.000
172	A	172	PHE	0	-0.031	-0.022	50.646	0.000	0.000	0.000	0.000	0.000	0.000
173	A	173	ASP	-1	-0.708	-0.839	45.450	0.040	0.040	0.000	0.000	0.000	0.000
174	A	174	THR	0	-0.039	-0.022	47.502	0.002	0.002	0.000	0.000	0.000	0.000
175	A	175	ASP	-1	-0.798	-0.879	49.321	0.030	0.030	0.000	0.000	0.000	0.000
176	A	176	LEU	0	-0.015	0.018	47.552	0.000	0.000	0.000	0.000	0.000	0.000
177	A	177	THR	0	0.017	-0.018	48.052	0.002	0.002	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.008	-0.012	45.290	0.002	0.002	0.000	0.000	0.000	0.000
179	A	179	SER	0	0.031	0.009	45.368	0.002	0.002	0.000	0.000	0.000	0.000
180	A	180	ASP	-1	-0.751	-0.835	47.323	0.041	0.041	0.000	0.000	0.000	0.000
181	A	181	LEU	0	0.041	0.008	42.930	0.001	0.001	0.000	0.000	0.000	0.000
182	A	182	LYS	1	0.887	0.952	41.931	-0.061	-0.061	0.000	0.000	0.000	0.000
183	A	183	GLU	-1	-0.788	-0.872	43.388	0.046	0.046	0.000	0.000	0.000	0.000
184	A	184	LEU	0	-0.014	-0.002	43.069	0.001	0.001	0.000	0.000	0.000	0.000
185	A	185	CYS	0	-0.086	-0.038	39.322	0.003	0.003	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.818	-0.900	39.880	0.074	0.074	0.000	0.000	0.000	0.000
187	A	187	GLY	0	0.078	0.047	41.488	0.002	0.002	0.000	0.000	0.000	0.000
188	A	188	TYR	0	-0.071	-0.072	38.849	0.001	0.001	0.000	0.000	0.000	0.000
189	A	189	LEU	0	-0.058	-0.025	35.232	0.004	0.004	0.000	0.000	0.000	0.000
190	A	190	GLU	-1	-0.885	-0.942	37.957	0.065	0.065	0.000	0.000	0.000	0.000
191	A	191	LEU	0	-0.010	0.004	40.546	0.000	0.000	0.000	0.000	0.000	0.000
192	A	192	PHE	0	-0.011	-0.022	31.136	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	GLU	-1	-0.955	-0.974	36.486	0.096	0.096	0.000	0.000	0.000	0.000
194	A	194	LEU	0	-0.014	0.014	37.485	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	195	LYS	1	0.791	0.874	38.385	-0.058	-0.058	0.000	0.000	0.000	0.000
196	A	196	THR	0	-0.059	-0.031	33.534	0.003	0.003	0.000	0.000	0.000	0.000
197	A	197	GLY	0	0.032	0.021	35.155	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	198	CYS	0	-0.083	-0.054	31.396	0.009	0.009	0.000	0.000	0.000	0.000
199	A	199	SER	0	0.092	0.064	32.775	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	200	PHE	0	-0.029	-0.005	30.195	0.006	0.006	0.000	0.000	0.000	0.000
201	A	201	PRO	0	-0.008	-0.007	26.534	0.004	0.004	0.000	0.000	0.000	0.000
202	A	202	GLN	0	0.057	0.026	28.372	-0.003	-0.003	0.000	0.000	0.000	0.000
203	A	203	ASP	-1	-0.774	-0.880	21.857	0.239	0.239	0.000	0.000	0.000	0.000
204	A	204	PRO	0	0.011	0.013	22.482	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	205	VAL	0	-0.007	-0.018	17.241	0.005	0.005	0.000	0.000	0.000	0.000
206	A	206	MET	0	-0.003	-0.012	19.730	0.007	0.007	0.000	0.000	0.000	0.000
207	A	207	GLN	0	-0.024	-0.022	21.793	-0.008	-0.008	0.000	0.000	0.000	0.000
208	A	208	LEU	0	0.015	0.010	17.199	-0.011	-0.011	0.000	0.000	0.000	0.000
209	A	209	PHE	0	0.020	-0.005	13.643	-0.008	-0.008	0.000	0.000	0.000	0.000
210	A	210	ALA	0	-0.029	0.018	19.108	-0.005	-0.005	0.000	0.000	0.000	0.000
211	A	211	ALA	0	0.056	0.017	22.643	-0.013	-0.013	0.000	0.000	0.000	0.000
212	A	212	ILE	0	-0.039	-0.017	16.485	-0.013	-0.013	0.000	0.000	0.000	0.000
213	A	213	LYS	1	0.922	0.949	19.293	-0.230	-0.230	0.000	0.000	0.000	0.000
214	A	214	ALA	0	0.026	0.032	21.414	-0.015	-0.015	0.000	0.000	0.000	0.000
215	A	215	VAL	0	-0.014	0.013	22.547	-0.015	-0.015	0.000	0.000	0.000	0.000
216	A	216	PHE	0	-0.002	-0.017	16.461	-0.015	-0.015	0.000	0.000	0.000	0.000
217	A	217	ARG	1	0.870	0.927	22.587	-0.111	-0.111	0.000	0.000	0.000	0.000
218	A	218	SER	0	-0.046	-0.046	25.621	-0.012	-0.012	0.000	0.000	0.000	0.000
219	A	219	TRP	0	0.015	0.020	24.388	-0.011	-0.011	0.000	0.000	0.000	0.000
220	A	220	GLY	0	0.006	-0.002	26.848	-0.009	-0.009	0.000	0.000	0.000	0.000
221	A	221	ASN	0	0.033	0.030	28.110	-0.006	-0.006	0.000	0.000	0.000	0.000
222	A	222	PRO	0	0.083	0.037	31.216	-0.005	-0.005	0.000	0.000	0.000	0.000
223	A	223	ARG	1	0.881	0.927	32.904	-0.048	-0.048	0.000	0.000	0.000	0.000
224	A	224	ALA	0	0.001	0.006	30.483	-0.003	-0.003	0.000	0.000	0.000	0.000
225	A	225	THR	0	-0.049	-0.037	30.645	-0.006	-0.006	0.000	0.000	0.000	0.000
226	A	226	ILE	0	0.048	0.033	32.755	-0.005	-0.005	0.000	0.000	0.000	0.000
227	A	227	TYR	0	0.013	-0.020	32.668	-0.004	-0.004	0.000	0.000	0.000	0.000
228	A	228	ARG	1	0.856	0.931	27.721	-0.014	-0.014	0.000	0.000	0.000	0.000
229	A	229	ARG	1	0.927	0.974	33.049	-0.002	-0.002	0.000	0.000	0.000	0.000
230	A	230	MET	0	0.026	0.006	36.389	-0.003	-0.003	0.000	0.000	0.000	0.000
231	A	231	ASN	0	-0.044	-0.022	34.435	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	232	ASN	0	-0.074	-0.037	35.016	-0.006	-0.006	0.000	0.000	0.000	0.000
233	A	233	ILE	0	0.037	0.031	29.411	-0.004	-0.004	0.000	0.000	0.000	0.000
234	A	234	THR	0	-0.024	-0.015	29.789	0.003	0.003	0.000	0.000	0.000	0.000
235	A	235	GLY	0	0.046	0.010	26.530	-0.005	-0.005	0.000	0.000	0.000	0.000
236	A	236	LEU	0	-0.044	-0.024	24.641	-0.007	-0.007	0.000	0.000	0.000	0.000
237	A	237	LEU	0	0.007	0.024	17.958	0.001	0.001	0.000	0.000	0.000	0.000
238	A	238	GLY	0	0.016	-0.012	20.861	0.012	0.012	0.000	0.000	0.000	0.000
239	A	239	THR	0	-0.049	-0.033	21.665	-0.008	-0.008	0.000	0.000	0.000	0.000
240	A	240	ALA	0	0.044	0.026	18.754	0.011	0.011	0.000	0.000	0.000	0.000
241	A	241	VAL	0	-0.027	-0.018	18.474	0.002	0.002	0.000	0.000	0.000	0.000
242	A	242	ASN	0	-0.021	0.006	18.564	0.003	0.003	0.000	0.000	0.000	0.000
243	A	243	VAL	0	0.033	0.023	18.249	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	244	GLN	0	-0.033	-0.021	20.092	-0.003	-0.003	0.000	0.000	0.000	0.000
245	A	245	ALA	0	0.026	0.016	22.685	0.004	0.004	0.000	0.000	0.000	0.000
246	A	246	MET	0	-0.057	-0.007	24.356	-0.010	-0.010	0.000	0.000	0.000	0.000
247	A	247	VAL	0	-0.018	-0.010	28.021	0.001	0.001	0.000	0.000	0.000	0.000
248	A	248	PHE	0	0.006	-0.006	30.747	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	249	GLY	0	0.028	0.008	34.498	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	250	ASN	0	-0.030	-0.025	37.843	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	251	ILE	0	0.029	0.027	33.509	0.000	0.000	0.000	0.000	0.000	0.000
252	A	252	ASN	0	-0.017	-0.026	38.140	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	253	ASP	-1	-0.770	-0.864	41.168	0.032	0.032	0.000	0.000	0.000	0.000
254	A	254	ARG	1	0.806	0.909	36.904	-0.041	-0.041	0.000	0.000	0.000	0.000
255	A	255	SER	0	-0.008	0.000	37.920	0.002	0.002	0.000	0.000	0.000	0.000
256	A	256	ALA	0	0.014	0.003	38.711	-0.002	-0.002	0.000	0.000	0.000	0.000
257	A	257	THR	0	-0.021	-0.011	37.213	0.001	0.001	0.000	0.000	0.000	0.000
258	A	258	GLY	0	0.015	-0.001	39.062	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	259	VAL	0	-0.005	0.018	39.218	0.001	0.001	0.000	0.000	0.000	0.000
260	A	260	ALA	0	-0.036	-0.025	40.538	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	261	PHE	0	0.011	-0.007	41.073	0.000	0.000	0.000	0.000	0.000	0.000
262	A	262	SER	0	-0.020	-0.038	40.732	0.000	0.000	0.000	0.000	0.000	0.000
263	A	263	ARG	1	0.743	0.810	42.775	0.014	0.014	0.000	0.000	0.000	0.000
264	A	264	SER	0	-0.003	0.005	46.302	0.001	0.001	0.000	0.000	0.000	0.000
265	A	265	PRO	0	0.049	0.022	46.488	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	266	SER	0	0.030	0.008	48.397	0.000	0.000	0.000	0.000	0.000	0.000
267	A	267	THR	0	-0.051	-0.055	52.254	0.000	0.000	0.000	0.000	0.000	0.000
268	A	268	GLY	0	-0.003	0.001	49.811	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	269	GLU	-1	-0.810	-0.867	49.996	-0.004	-0.004	0.000	0.000	0.000	0.000
270	A	270	ASN	0	0.070	0.030	46.649	0.002	0.002	0.000	0.000	0.000	0.000
271	A	271	PHE	0	0.027	0.009	48.350	0.000	0.000	0.000	0.000	0.000	0.000
272	A	272	PHE	0	0.008	-0.006	40.237	0.000	0.000	0.000	0.000	0.000	0.000
273	A	273	PHE	0	0.046	0.014	46.033	0.001	0.001	0.000	0.000	0.000	0.000
274	A	274	GLY	0	0.039	0.004	44.449	0.000	0.000	0.000	0.000	0.000	0.000
275	A	275	GLU	-1	-0.852	-0.902	44.613	0.011	0.011	0.000	0.000	0.000	0.000
276	A	276	TYR	0	-0.008	-0.027	42.895	0.000	0.000	0.000	0.000	0.000	0.000
277	A	277	LEU	0	-0.016	-0.001	43.576	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	278	VAL	0	0.027	0.007	43.178	0.001	0.001	0.000	0.000	0.000	0.000
279	A	279	ASN	0	-0.045	-0.031	42.153	0.001	0.001	0.000	0.000	0.000	0.000
280	A	280	ALA	0	0.030	0.017	41.671	0.000	0.000	0.000	0.000	0.000	0.000
281	A	281	GLN	0	0.027	0.035	36.001	0.001	0.001	0.000	0.000	0.000	0.000
282	A	282	GLY	0	0.023	0.012	38.487	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	283	GLU	-1	-0.909	-0.958	38.932	0.041	0.041	0.000	0.000	0.000	0.000
284	A	284	ASP	-1	-0.789	-0.894	42.219	0.029	0.029	0.000	0.000	0.000	0.000
285	A	285	VAL	0	-0.026	-0.020	42.887	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	286	VAL	0	-0.035	-0.013	42.776	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	287	ALA	0	0.000	0.008	45.802	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	288	GLY	0	0.008	-0.005	48.045	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	289	ILE	0	-0.040	-0.020	50.075	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	290	ARG	1	0.763	0.865	45.137	-0.027	-0.027	0.000	0.000	0.000	0.000
291	A	291	THR	0	0.025	0.008	50.614	0.000	0.000	0.000	0.000	0.000	0.000
292	A	292	PRO	0	0.014	0.022	48.366	0.000	0.000	0.000	0.000	0.000	0.000
293	A	293	GLN	0	0.038	0.028	48.118	-0.001	-0.001	0.000	0.000	0.000	0.000
294	A	294	GLN	0	0.004	0.002	47.823	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	295	ILE	0	0.002	-0.010	43.204	0.001	0.001	0.000	0.000	0.000	0.000
296	A	296	ASN	0	-0.008	-0.008	46.286	0.000	0.000	0.000	0.000	0.000	0.000
297	A	297	HIS	0	-0.009	-0.020	48.452	0.000	0.000	0.000	0.000	0.000	0.000
298	A	298	SER	0	0.005	-0.005	51.505	0.000	0.000	0.000	0.000	0.000	0.000
299	A	299	LEU	0	-0.025	-0.015	49.406	0.000	0.000	0.000	0.000	0.000	0.000
300	A	300	SER	0	0.019	0.008	51.876	0.000	0.000	0.000	0.000	0.000	0.000
301	A	301	LEU	0	0.007	0.010	53.716	0.000	0.000	0.000	0.000	0.000	0.000
302	A	302	ARG	1	0.785	0.885	54.192	0.001	0.001	0.000	0.000	0.000	0.000
303	A	303	TRP	0	0.009	0.004	55.122	0.000	0.000	0.000	0.000	0.000	0.000
304	A	304	ALA	0	0.007	0.009	57.091	0.000	0.000	0.000	0.000	0.000	0.000
305	A	305	LYS	1	0.957	0.976	59.303	-0.003	-0.003	0.000	0.000	0.000	0.000
306	A	306	ALA	0	-0.018	0.010	59.979	0.000	0.000	0.000	0.000	0.000	0.000
307	A	307	HIS	0	-0.047	-0.025	58.780	0.000	0.000	0.000	0.000	0.000	0.000
308	A	308	GLY	0	0.010	0.010	62.999	0.000	0.000	0.000	0.000	0.000	0.000
309	A	309	VAL	0	-0.023	-0.005	59.451	0.000	0.000	0.000	0.000	0.000	0.000
310	A	310	GLY	0	0.053	0.033	62.719	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	311	GLU	-1	-0.792	-0.902	57.851	0.007	0.007	0.000	0.000	0.000	0.000
312	A	312	GLU	-1	-0.883	-0.951	59.527	0.008	0.008	0.000	0.000	0.000	0.000
313	A	313	GLU	-1	-0.832	-0.881	59.530	0.013	0.013	0.000	0.000	0.000	0.000
314	A	314	ARG	1	0.750	0.848	53.008	-0.007	-0.007	0.000	0.000	0.000	0.000
315	A	315	ARG	1	0.853	0.913	51.408	-0.010	-0.010	0.000	0.000	0.000	0.000
316	A	316	LYS	1	0.842	0.903	54.831	-0.011	-0.011	0.000	0.000	0.000	0.000
317	A	317	ARG	1	0.828	0.918	54.711	-0.013	-0.013	0.000	0.000	0.000	0.000
318	A	318	TYR	0	-0.080	-0.060	52.813	0.001	0.001	0.000	0.000	0.000	0.000
319	A	319	PRO	0	0.054	0.033	50.173	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	320	SER	0	0.022	-0.012	48.945	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	321	MET	0	0.023	0.025	39.224	0.000	0.000	0.000	0.000	0.000	0.000
322	A	322	GLU	-1	-0.754	-0.861	45.061	0.002	0.002	0.000	0.000	0.000	0.000
323	A	323	GLU	-1	-0.795	-0.831	46.691	0.008	0.008	0.000	0.000	0.000	0.000
324	A	324	ALA	0	-0.020	0.000	47.101	0.001	0.001	0.000	0.000	0.000	0.000
325	A	325	MET	0	-0.032	-0.012	41.601	0.002	0.002	0.000	0.000	0.000	0.000
326	A	326	PRO	0	0.040	0.027	42.239	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	327	GLU	-1	-0.798	-0.862	38.617	0.004	0.004	0.000	0.000	0.000	0.000
328	A	328	ASN	0	0.011	-0.017	36.533	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	329	TYR	0	0.000	-0.019	38.693	-0.002	-0.002	0.000	0.000	0.000	0.000
330	A	330	ARG	1	0.850	0.892	40.348	-0.004	-0.004	0.000	0.000	0.000	0.000
331	A	331	LEU	0	0.025	0.020	33.033	-0.003	-0.003	0.000	0.000	0.000	0.000
332	A	332	LEU	0	0.010	-0.008	36.575	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	333	CYS	0	-0.061	-0.025	37.935	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	334	ASP	-1	-0.884	-0.925	34.953	-0.019	-0.019	0.000	0.000	0.000	0.000
335	A	335	VAL	0	0.025	0.003	32.963	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	336	ARG	1	0.788	0.903	35.445	0.007	0.007	0.000	0.000	0.000	0.000
337	A	337	LYS	1	0.960	0.979	38.104	0.020	0.020	0.000	0.000	0.000	0.000
338	A	338	ARG	1	0.800	0.896	29.625	0.020	0.020	0.000	0.000	0.000	0.000
339	A	339	LEU	0	0.026	0.005	31.861	-0.004	-0.004	0.000	0.000	0.000	0.000
340	A	340	GLU	-1	-0.745	-0.820	35.102	-0.016	-0.016	0.000	0.000	0.000	0.000
341	A	341	ASN	0	-0.062	-0.048	36.767	-0.002	-0.002	0.000	0.000	0.000	0.000
342	A	342	HIS	0	-0.055	-0.022	29.189	-0.004	-0.004	0.000	0.000	0.000	0.000
343	A	343	TYR	0	-0.001	-0.026	29.320	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	344	ARG	1	0.827	0.933	35.313	0.037	0.037	0.000	0.000	0.000	0.000
345	A	345	ASP	-1	-0.742	-0.853	38.917	-0.016	-0.016	0.000	0.000	0.000	0.000
346	A	346	MET	0	-0.045	0.016	39.749	0.001	0.001	0.000	0.000	0.000	0.000
347	A	347	GLN	0	0.003	-0.022	35.953	0.001	0.001	0.000	0.000	0.000	0.000
348	A	348	ASP	-1	-0.851	-0.910	38.710	0.005	0.005	0.000	0.000	0.000	0.000
349	A	349	LEU	0	-0.010	-0.001	35.590	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	350	GLU	-1	-0.776	-0.861	35.261	0.020	0.020	0.000	0.000	0.000	0.000
351	A	351	PHE	0	0.007	-0.006	34.599	0.001	0.001	0.000	0.000	0.000	0.000
352	A	352	THR	0	-0.005	-0.017	33.797	0.003	0.003	0.000	0.000	0.000	0.000
353	A	353	VAL	0	-0.031	0.006	34.694	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	354	GLN	0	0.099	0.042	30.349	0.001	0.001	0.000	0.000	0.000	0.000
355	A	355	ASP	-1	-0.787	-0.878	34.034	0.045	0.045	0.000	0.000	0.000	0.000
356	A	356	GLY	0	0.009	0.000	35.796	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	357	ARG	1	0.881	0.953	25.324	-0.053	-0.053	0.000	0.000	0.000	0.000
358	A	358	LEU	0	-0.035	-0.016	33.433	0.002	0.002	0.000	0.000	0.000	0.000
359	A	359	TRP	0	0.012	0.004	26.108	0.001	0.001	0.000	0.000	0.000	0.000
360	A	360	LEU	0	-0.022	-0.023	30.592	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	361	LEU	0	0.000	-0.004	30.087	0.000	0.000	0.000	0.000	0.000	0.000
362	A	362	GLN	0	-0.042	-0.027	30.537	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	363	CYS	0	0.001	0.006	32.156	-0.002	-0.002	0.000	0.000	0.000	0.000
364	A	364	ARG	1	0.690	0.814	33.069	-0.010	-0.010	0.000	0.000	0.000	0.000
365	A	365	ASN	0	0.065	0.041	35.610	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	366	GLY	0	0.030	0.025	38.194	0.002	0.002	0.000	0.000	0.000	0.000
367	A	367	LYS	1	0.927	0.960	40.648	0.001	0.001	0.000	0.000	0.000	0.000
368	A	368	ARG	1	0.758	0.848	41.742	0.013	0.013	0.000	0.000	0.000	0.000
369	A	369	THR	0	0.063	0.041	47.189	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	370	ILE	0	0.060	0.026	50.304	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	371	HIS	0	-0.028	-0.028	51.972	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	372	ALA	0	0.012	0.013	49.730	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	373	ALA	0	-0.008	-0.008	48.429	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	374	VAL	0	0.006	-0.001	49.384	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	375	ARG	1	0.821	0.908	52.233	0.011	0.011	0.000	0.000	0.000	0.000
376	A	376	ILE	0	0.041	0.013	45.620	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	ALA	0	-0.005	0.004	47.572	-0.002	-0.002	0.000	0.000	0.000	0.000
378	A	378	ILE	0	-0.034	-0.018	48.615	-0.001	-0.001	0.000	0.000	0.000	0.000
379	A	379	ASP	-1	-0.861	-0.920	49.450	-0.014	-0.014	0.000	0.000	0.000	0.000
380	A	380	MET	0	-0.022	-0.001	43.785	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	381	VAL	0	-0.035	-0.008	46.221	-0.002	-0.002	0.000	0.000	0.000	0.000
382	A	382	ASN	0	-0.068	-0.040	48.480	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	383	GLU	-1	-0.820	-0.879	45.537	-0.018	-0.018	0.000	0.000	0.000	0.000
384	A	384	GLY	0	-0.007	0.010	45.773	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	385	LEU	0	-0.050	-0.009	40.068	-0.003	-0.003	0.000	0.000	0.000	0.000
386	A	386	ILE	0	-0.019	-0.011	41.667	-0.003	-0.003	0.000	0.000	0.000	0.000
387	A	387	SER	0	0.064	0.028	43.898	0.001	0.001	0.000	0.000	0.000	0.000
388	A	388	ARG	1	1.022	0.997	46.448	0.025	0.025	0.000	0.000	0.000	0.000
389	A	389	GLU	-1	-0.754	-0.854	45.438	-0.034	-0.034	0.000	0.000	0.000	0.000
390	A	390	GLU	-1	-0.801	-0.886	41.452	-0.032	-0.032	0.000	0.000	0.000	0.000
391	A	391	ALA	0	-0.006	0.002	45.245	0.001	0.001	0.000	0.000	0.000	0.000
392	A	392	VAL	0	0.013	0.004	47.706	0.002	0.002	0.000	0.000	0.000	0.000
393	A	393	LEU	0	-0.040	-0.024	43.729	0.001	0.001	0.000	0.000	0.000	0.000
394	A	394	ARG	1	0.747	0.858	39.991	0.026	0.026	0.000	0.000	0.000	0.000
395	A	395	ILE	0	-0.056	-0.012	46.133	0.002	0.002	0.000	0.000	0.000	0.000
396	A	396	ASP	-1	-0.767	-0.878	48.088	-0.012	-0.012	0.000	0.000	0.000	0.000
397	A	397	PRO	0	0.013	-0.006	49.742	0.001	0.001	0.000	0.000	0.000	0.000
398	A	398	TYR	0	-0.026	-0.037	50.580	0.000	0.000	0.000	0.000	0.000	0.000
399	A	399	GLN	0	-0.067	-0.043	47.922	0.002	0.002	0.000	0.000	0.000	0.000
400	A	400	VAL	0	-0.013	-0.006	53.365	0.001	0.001	0.000	0.000	0.000	0.000
401	A	401	ASP	-1	-0.790	-0.888	55.925	-0.007	-0.007	0.000	0.000	0.000	0.000
402	A	402	HIS	0	0.037	0.021	53.571	0.001	0.001	0.000	0.000	0.000	0.000
403	A	403	LEU	0	-0.067	-0.028	55.817	0.001	0.001	0.000	0.000	0.000	0.000
404	A	404	MET	0	-0.052	-0.026	59.431	0.000	0.000	0.000	0.000	0.000	0.000
405	A	405	HIS	0	0.000	0.019	57.696	0.000	0.000	0.000	0.000	0.000	0.000
406	A	406	PRO	0	-0.013	-0.010	62.550	0.000	0.000	0.000	0.000	0.000	0.000
407	A	407	ASN	0	0.006	-0.009	63.965	0.000	0.000	0.000	0.000	0.000	0.000
408	A	408	LEU	0	0.045	0.021	65.965	0.000	0.000	0.000	0.000	0.000	0.000
409	A	409	GLU	-1	-0.926	-0.948	68.987	-0.003	-0.003	0.000	0.000	0.000	0.000
410	A	410	PRO	0	0.066	0.018	71.964	0.000	0.000	0.000	0.000	0.000	0.000
411	A	411	GLY	0	0.001	-0.003	73.838	0.000	0.000	0.000	0.000	0.000	0.000
412	A	412	ALA	0	-0.030	-0.014	70.829	0.000	0.000	0.000	0.000	0.000	0.000
413	A	413	GLU	-1	-0.809	-0.917	71.629	0.001	0.001	0.000	0.000	0.000	0.000
414	A	414	LYS	1	0.881	0.947	75.326	0.000	0.000	0.000	0.000	0.000	0.000
415	A	415	ALA	0	-0.030	-0.021	76.877	0.000	0.000	0.000	0.000	0.000	0.000
416	A	416	ASN	0	0.023	0.001	73.632	0.000	0.000	0.000	0.000	0.000	0.000
417	A	417	LYS	1	0.897	0.969	73.315	-0.003	-0.003	0.000	0.000	0.000	0.000
418	A	418	PRO	0	0.007	0.008	69.252	0.000	0.000	0.000	0.000	0.000	0.000
419	A	419	ILE	0	-0.022	-0.007	68.960	0.000	0.000	0.000	0.000	0.000	0.000
420	A	420	GLY	0	0.062	0.020	66.555	0.001	0.001	0.000	0.000	0.000	0.000
421	A	421	ARG	1	0.853	0.918	62.040	-0.006	-0.006	0.000	0.000	0.000	0.000
422	A	422	GLY	0	0.096	0.056	59.680	0.001	0.001	0.000	0.000	0.000	0.000
423	A	423	LEU	0	-0.001	0.005	52.941	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	424	ALA	0	0.010	0.006	56.212	0.000	0.000	0.000	0.000	0.000	0.000
425	A	425	ALA	0	-0.020	-0.018	53.499	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	426	SER	0	0.033	-0.005	52.815	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	427	PRO	0	-0.015	-0.005	54.614	0.000	0.000	0.000	0.000	0.000	0.000
428	A	428	GLY	0	0.048	0.027	57.607	0.000	0.000	0.000	0.000	0.000	0.000
429	A	429	ALA	0	-0.040	-0.043	60.916	0.001	0.001	0.000	0.000	0.000	0.000
430	A	430	ALA	0	-0.002	0.012	63.218	0.000	0.000	0.000	0.000	0.000	0.000
431	A	431	VAL	0	-0.020	-0.030	65.207	0.000	0.000	0.000	0.000	0.000	0.000
432	A	432	GLY	0	0.011	0.013	67.813	0.000	0.000	0.000	0.000	0.000	0.000
433	A	433	GLN	0	0.001	0.003	69.138	0.000	0.000	0.000	0.000	0.000	0.000
434	A	434	VAL	0	-0.024	0.007	66.937	0.000	0.000	0.000	0.000	0.000	0.000
435	A	435	VAL	0	0.017	-0.001	63.390	0.000	0.000	0.000	0.000	0.000	0.000
436	A	436	PHE	0	0.027	0.017	63.393	0.000	0.000	0.000	0.000	0.000	0.000
437	A	437	ASP	-1	-0.786	-0.863	60.356	0.012	0.012	0.000	0.000	0.000	0.000
438	A	438	ALA	0	0.040	0.021	57.367	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	439	GLU	-1	-0.863	-0.934	59.470	0.013	0.013	0.000	0.000	0.000	0.000
440	A	440	SER	0	-0.051	-0.070	61.962	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	441	ALA	0	-0.053	-0.027	61.002	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	442	LYS	1	0.853	0.928	57.884	-0.008	-0.008	0.000	0.000	0.000	0.000
443	A	443	GLU	-1	-0.824	-0.868	62.536	0.006	0.006	0.000	0.000	0.000	0.000
444	A	444	TRP	0	0.008	-0.019	66.286	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	445	SER	0	-0.034	-0.012	63.403	0.000	0.000	0.000	0.000	0.000	0.000
446	A	446	GLY	0	0.032	0.013	65.253	0.000	0.000	0.000	0.000	0.000	0.000
447	A	447	ARG	1	0.824	0.900	67.935	-0.007	-0.007	0.000	0.000	0.000	0.000
448	A	448	GLY	0	0.004	0.005	70.470	0.000	0.000	0.000	0.000	0.000	0.000
449	A	449	LYS	1	0.810	0.903	70.383	-0.005	-0.005	0.000	0.000	0.000	0.000
450	A	450	LYS	1	0.956	0.979	67.288	-0.002	-0.002	0.000	0.000	0.000	0.000
451	A	451	VAL	0	0.016	0.003	64.134	0.000	0.000	0.000	0.000	0.000	0.000
452	A	452	ILE	0	-0.014	0.005	63.319	0.000	0.000	0.000	0.000	0.000	0.000
453	A	453	MET	0	0.026	0.024	57.777	0.000	0.000	0.000	0.000	0.000	0.000
454	A	454	VAL	0	-0.062	-0.031	61.150	0.000	0.000	0.000	0.000	0.000	0.000
455	A	455	ARG	1	0.829	0.881	56.492	-0.014	-0.014	0.000	0.000	0.000	0.000
456	A	456	LEU	0	0.021	0.004	55.930	0.000	0.000	0.000	0.000	0.000	0.000
457	A	457	GLU	-1	-0.846	-0.925	52.156	0.020	0.020	0.000	0.000	0.000	0.000
458	A	458	THR	0	0.000	-0.027	51.868	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	459	SER	0	-0.007	-0.024	49.484	0.000	0.000	0.000	0.000	0.000	0.000
460	A	460	PRO	0	-0.031	-0.031	46.012	-0.002	-0.002	0.000	0.000	0.000	0.000
461	A	461	GLU	-1	-0.801	-0.880	48.804	0.019	0.019	0.000	0.000	0.000	0.000
462	A	462	ASP	-1	-0.777	-0.881	51.795	0.013	0.013	0.000	0.000	0.000	0.000
463	A	463	LEU	0	-0.023	-0.006	48.621	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	464	ALA	0	0.061	0.027	52.682	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	465	GLY	0	0.034	0.013	55.191	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	466	MET	0	-0.053	-0.018	52.029	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	467	ASP	-1	-0.875	-0.944	54.514	0.004	0.004	0.000	0.000	0.000	0.000
468	A	468	ALA	0	0.014	0.015	56.258	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	469	ALA	0	-0.060	-0.006	59.581	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	470	CYS	0	-0.037	-0.017	60.299	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	471	GLY	0	0.010	0.001	60.383	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	472	ILE	0	-0.006	-0.003	55.745	0.001	0.001	0.000	0.000	0.000	0.000
473	A	473	LEU	0	-0.001	-0.008	59.440	-0.001	-0.001	0.000	0.000	0.000	0.000
474	A	474	THR	0	-0.026	-0.021	55.346	0.000	0.000	0.000	0.000	0.000	0.000
475	A	475	ALA	0	0.008	0.020	58.170	0.000	0.000	0.000	0.000	0.000	0.000
476	A	476	ARG	1	0.838	0.918	52.614	-0.019	-0.019	0.000	0.000	0.000	0.000
477	A	477	GLY	0	0.046	0.019	51.170	0.000	0.000	0.000	0.000	0.000	0.000
478	A	478	GLY	0	0.043	0.014	50.009	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	479	MET	0	-0.016	-0.010	49.007	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	480	THR	0	-0.011	-0.017	44.549	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	481	SER	0	-0.011	0.012	46.466	0.002	0.002	0.000	0.000	0.000	0.000
482	A	482	HIS	0	0.095	0.056	46.973	-0.002	-0.002	0.000	0.000	0.000	0.000
483	A	483	ALA	0	0.058	0.024	48.825	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	484	ALA	0	0.026	0.010	50.200	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	485	VAL	0	-0.040	-0.019	44.853	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	486	VAL	0	0.010	-0.003	48.136	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	487	ALA	0	0.007	0.013	49.677	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	488	ARG	1	0.819	0.908	47.026	-0.006	-0.006	0.000	0.000	0.000	0.000
489	A	489	GLY	0	-0.045	-0.015	48.592	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	490	MET	0	-0.040	-0.015	49.223	0.000	0.000	0.000	0.000	0.000	0.000
491	A	491	GLY	0	-0.028	-0.005	52.521	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	492	LYS	1	0.780	0.886	54.414	-0.004	-0.004	0.000	0.000	0.000	0.000
493	A	493	CYS	0	-0.055	0.013	56.254	0.001	0.001	0.000	0.000	0.000	0.000
494	A	494	CYS	0	-0.044	-0.036	54.646	0.001	0.001	0.000	0.000	0.000	0.000
495	A	495	VAL	0	-0.009	0.011	57.528	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	496	SER	0	0.029	0.012	53.717	0.000	0.000	0.000	0.000	0.000	0.000
497	A	497	GLY	0	-0.011	0.007	55.943	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	498	CYS	0	-0.053	-0.019	56.595	0.000	0.000	0.000	0.000	0.000	0.000
499	A	499	GLY	0	0.047	0.009	59.927	0.000	0.000	0.000	0.000	0.000	0.000
500	A	500	ASP	-1	-0.887	-0.929	60.680	0.010	0.010	0.000	0.000	0.000	0.000
501	A	501	MET	0	-0.053	-0.018	62.529	0.000	0.000	0.000	0.000	0.000	0.000
502	A	502	VAL	0	-0.001	0.003	63.299	0.001	0.001	0.000	0.000	0.000	0.000
503	A	503	ILE	0	-0.001	-0.023	61.340	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	504	ARG	1	0.906	0.947	65.167	-0.012	-0.012	0.000	0.000	0.000	0.000
505	A	505	GLY	0	0.052	0.038	66.786	0.000	0.000	0.000	0.000	0.000	0.000
506	A	506	LYS	1	0.861	0.953	66.623	-0.010	-0.010	0.000	0.000	0.000	0.000
507	A	507	SER	0	-0.033	-0.041	68.092	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	508	PHE	0	0.035	0.016	65.384	0.001	0.001	0.000	0.000	0.000	0.000
509	A	509	LYS	1	0.899	0.966	68.405	-0.010	-0.010	0.000	0.000	0.000	0.000
510	A	510	LEU	0	0.004	0.022	65.284	0.000	0.000	0.000	0.000	0.000	0.000
511	A	511	ASN	0	-0.061	-0.073	67.412	0.000	0.000	0.000	0.000	0.000	0.000
512	A	512	GLY	0	0.040	0.032	70.376	0.000	0.000	0.000	0.000	0.000	0.000
513	A	513	SER	0	-0.036	-0.006	72.976	0.000	0.000	0.000	0.000	0.000	0.000
514	A	514	VAL	0	-0.015	-0.022	72.410	0.000	0.000	0.000	0.000	0.000	0.000
515	A	515	PHE	0	-0.010	-0.001	70.676	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	516	ARG	1	1.019	0.987	71.002	-0.008	-0.008	0.000	0.000	0.000	0.000
517	A	517	GLU	-1	-0.807	-0.897	70.319	0.008	0.008	0.000	0.000	0.000	0.000
518	A	518	GLY	0	-0.011	0.012	71.984	0.000	0.000	0.000	0.000	0.000	0.000
519	A	519	ASP	-1	-0.848	-0.903	71.510	0.004	0.004	0.000	0.000	0.000	0.000
520	A	520	TYR	0	-0.020	-0.014	66.756	0.000	0.000	0.000	0.000	0.000	0.000
521	A	521	ILE	0	-0.047	-0.031	67.583	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	522	THR	0	0.026	0.012	62.506	0.001	0.001	0.000	0.000	0.000	0.000
523	A	523	ILE	0	-0.053	-0.032	63.192	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	524	ASP	-1	-0.783	-0.886	59.455	0.000	0.000	0.000	0.000	0.000	0.000
525	A	525	GLY	0	-0.038	-0.019	59.845	0.000	0.000	0.000	0.000	0.000	0.000
526	A	526	SER	0	-0.076	-0.038	59.923	0.001	0.001	0.000	0.000	0.000	0.000
527	A	527	LYS	1	0.854	0.932	61.741	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	528	GLY	0	0.025	0.013	65.424	0.000	0.000	0.000	0.000	0.000	0.000
529	A	529	LEU	0	-0.043	-0.021	66.728	0.000	0.000	0.000	0.000	0.000	0.000
530	A	530	ILE	0	0.080	0.032	70.182	0.000	0.000	0.000	0.000	0.000	0.000
531	A	531	TYR	0	-0.039	-0.044	72.707	-0.001	-0.001	0.000	0.000	0.000	0.000
532	A	532	ALA	0	0.030	0.009	72.348	0.000	0.000	0.000	0.000	0.000	0.000
533	A	533	GLY	0	0.030	0.022	71.654	0.000	0.000	0.000	0.000	0.000	0.000
534	A	534	LYS	1	0.908	0.968	72.697	0.001	0.001	0.000	0.000	0.000	0.000
535	A	535	LEU	0	-0.006	-0.012	67.095	0.000	0.000	0.000	0.000	0.000	0.000
536	A	536	LYS	1	0.865	0.943	67.955	0.003	0.003	0.000	0.000	0.000	0.000
537	A	537	LEU	0	0.086	0.033	67.578	0.000	0.000	0.000	0.000	0.000	0.000
538	A	538	ARG	1	0.923	0.973	62.258	0.005	0.005	0.000	0.000	0.000	0.000
539	A	539	SER	0	0.001	-0.013	65.327	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	540	PRO	0	-0.012	0.011	67.392	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	541	ASP	-1	-0.805	-0.902	62.193	-0.010	-0.010	0.000	0.000	0.000	0.000
542	A	542	LEU	0	-0.024	-0.036	57.116	0.000	0.000	0.000	0.000	0.000	0.000
543	A	543	LYS	1	0.950	0.984	61.129	0.007	0.007	0.000	0.000	0.000	0.000
544	A	544	GLY	0	0.102	0.061	62.634	0.000	0.000	0.000	0.000	0.000	0.000
545	A	545	SER	0	-0.041	-0.006	56.699	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	546	PHE	0	0.042	0.002	55.237	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	547	GLN	0	0.000	-0.013	58.066	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	548	THR	0	0.009	0.002	56.341	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	549	ILE	0	0.001	0.009	53.001	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	550	LEU	0	-0.001	0.004	55.660	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	551	GLN	0	-0.005	0.007	58.360	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	552	TRP	0	0.042	0.006	51.540	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	553	CYS	0	-0.072	-0.036	54.374	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	554	GLN	0	-0.019	-0.027	55.377	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	555	GLU	-1	-0.919	-0.954	55.756	-0.023	-0.023	0.000	0.000	0.000	0.000
556	A	556	MET	0	-0.070	-0.030	51.302	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	557	LYS	1	0.778	0.901	53.569	0.018	0.018	0.000	0.000	0.000	0.000
558	A	558	ARG	1	0.827	0.919	54.540	0.024	0.024	0.000	0.000	0.000	0.000
559	A	559	LEU	0	-0.026	-0.009	56.652	0.001	0.001	0.000	0.000	0.000	0.000
560	A	560	GLY	0	0.024	0.018	59.472	0.000	0.000	0.000	0.000	0.000	0.000
561	A	561	VAL	0	-0.021	-0.024	60.252	0.000	0.000	0.000	0.000	0.000	0.000
562	A	562	ARG	1	0.761	0.864	63.311	0.014	0.014	0.000	0.000	0.000	0.000
563	A	563	THR	0	-0.018	-0.037	66.051	0.000	0.000	0.000	0.000	0.000	0.000
564	A	564	ASN	0	-0.013	0.000	66.540	0.000	0.000	0.000	0.000	0.000	0.000
565	A	565	ALA	0	0.016	-0.002	70.240	0.001	0.001	0.000	0.000	0.000	0.000
566	A	566	ASP	-1	-0.770	-0.863	73.398	-0.007	-0.007	0.000	0.000	0.000	0.000
567	A	567	THR	0	0.022	0.015	76.669	0.000	0.000	0.000	0.000	0.000	0.000
568	A	568	PRO	0	-0.008	-0.018	77.017	0.000	0.000	0.000	0.000	0.000	0.000
569	A	569	ALA	0	0.023	0.014	77.375	0.000	0.000	0.000	0.000	0.000	0.000
570	A	570	ASP	-1	-0.830	-0.903	73.176	-0.007	-0.007	0.000	0.000	0.000	0.000
571	A	571	ALA	0	0.008	-0.001	72.472	0.000	0.000	0.000	0.000	0.000	0.000
572	A	572	ALA	0	0.030	0.012	72.834	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	573	LYS	1	0.820	0.915	68.171	0.008	0.008	0.000	0.000	0.000	0.000
574	A	574	ALA	0	0.023	0.012	68.499	0.000	0.000	0.000	0.000	0.000	0.000
575	A	575	ARG	1	0.861	0.921	68.131	0.011	0.011	0.000	0.000	0.000	0.000
576	A	576	SER	0	-0.040	-0.014	69.122	0.000	0.000	0.000	0.000	0.000	0.000
577	A	577	PHE	0	-0.020	-0.021	64.593	0.000	0.000	0.000	0.000	0.000	0.000
578	A	578	GLY	0	0.026	0.014	64.226	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	579	ALA	0	-0.035	-0.013	65.571	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	580	GLU	-1	-0.769	-0.880	63.165	-0.017	-0.017	0.000	0.000	0.000	0.000
581	A	581	GLY	0	0.052	0.008	67.693	0.000	0.000	0.000	0.000	0.000	0.000
582	A	582	VAL	0	-0.056	-0.019	69.954	0.000	0.000	0.000	0.000	0.000	0.000
583	A	583	GLY	0	0.033	0.019	69.087	0.000	0.000	0.000	0.000	0.000	0.000
584	A	584	LEU	0	-0.037	-0.024	70.166	0.000	0.000	0.000	0.000	0.000	0.000
585	A	585	CYS	0	0.016	0.030	72.299	0.001	0.001	0.000	0.000	0.000	0.000
586	A	586	ARG	1	0.837	0.901	74.643	0.006	0.006	0.000	0.000	0.000	0.000
587	A	587	THR	0	0.020	-0.013	77.852	0.000	0.000	0.000	0.000	0.000	0.000
588	A	588	GLU	-1	-0.824	-0.911	78.096	-0.007	-0.007	0.000	0.000	0.000	0.000
589	A	589	HIS	1	0.858	0.915	80.074	0.007	0.007	0.000	0.000	0.000	0.000
590	A	590	MET	0	-0.044	0.000	82.667	0.000	0.000	0.000	0.000	0.000	0.000
591	A	591	PHE	0	0.001	-0.004	85.063	0.000	0.000	0.000	0.000	0.000	0.000
592	A	592	PHE	0	0.000	-0.004	84.612	0.000	0.000	0.000	0.000	0.000	0.000
593	A	593	GLU	-1	-0.896	-0.945	83.336	-0.005	-0.005	0.000	0.000	0.000	0.000
594	A	594	GLY	0	0.031	0.006	87.261	0.000	0.000	0.000	0.000	0.000	0.000
595	A	595	SER	0	-0.005	-0.024	90.721	0.000	0.000	0.000	0.000	0.000	0.000
596	A	596	ARG	1	0.763	0.882	86.196	0.006	0.006	0.000	0.000	0.000	0.000
597	A	597	ILE	0	0.050	0.040	88.813	0.000	0.000	0.000	0.000	0.000	0.000
598	A	598	ASN	0	0.010	-0.013	91.441	0.000	0.000	0.000	0.000	0.000	0.000
599	A	599	PHE	0	0.029	0.014	94.496	0.000	0.000	0.000	0.000	0.000	0.000
600	A	600	ILE	0	0.037	0.031	88.693	0.000	0.000	0.000	0.000	0.000	0.000
601	A	601	ARG	1	0.873	0.932	90.849	0.003	0.003	0.000	0.000	0.000	0.000
602	A	602	GLU	-1	-0.791	-0.867	94.794	-0.004	-0.004	0.000	0.000	0.000	0.000
603	A	603	MET	0	-0.006	0.006	91.405	0.000	0.000	0.000	0.000	0.000	0.000
604	A	604	ILE	0	0.015	0.005	91.340	0.000	0.000	0.000	0.000	0.000	0.000
605	A	605	LEU	0	0.010	0.018	94.667	0.000	0.000	0.000	0.000	0.000	0.000
606	A	606	ALA	0	-0.014	-0.005	98.092	0.000	0.000	0.000	0.000	0.000	0.000
607	A	607	ASP	-1	-0.844	-0.908	99.271	-0.004	-0.004	0.000	0.000	0.000	0.000
608	A	608	SER	0	0.009	-0.010	100.937	0.000	0.000	0.000	0.000	0.000	0.000
609	A	609	ALA	0	0.056	0.042	97.950	0.000	0.000	0.000	0.000	0.000	0.000
610	A	610	SER	0	0.021	-0.002	99.214	0.000	0.000	0.000	0.000	0.000	0.000
611	A	611	GLY	0	0.003	0.012	101.960	0.000	0.000	0.000	0.000	0.000	0.000
612	A	612	ARG	1	0.862	0.920	95.172	0.005	0.005	0.000	0.000	0.000	0.000
613	A	613	LYS	1	0.843	0.913	95.928	0.006	0.006	0.000	0.000	0.000	0.000
614	A	614	ALA	0	0.041	0.020	98.292	0.000	0.000	0.000	0.000	0.000	0.000
615	A	615	ALA	0	0.006	0.005	97.569	0.000	0.000	0.000	0.000	0.000	0.000
616	A	616	LEU	0	-0.039	-0.008	92.204	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	ASP	-1	-0.830	-0.918	94.821	-0.007	-0.007	0.000	0.000	0.000	0.000
618	A	618	LYS	1	0.807	0.891	97.132	0.005	0.005	0.000	0.000	0.000	0.000
619	A	619	LEU	0	0.004	-0.006	91.294	0.000	0.000	0.000	0.000	0.000	0.000
620	A	620	LEU	0	-0.001	0.009	92.149	0.000	0.000	0.000	0.000	0.000	0.000
621	A	621	PRO	0	-0.044	-0.027	91.849	0.000	0.000	0.000	0.000	0.000	0.000
622	A	622	ILE	0	0.016	0.010	90.550	0.000	0.000	0.000	0.000	0.000	0.000
623	A	623	GLN	0	0.012	-0.008	87.253	0.000	0.000	0.000	0.000	0.000	0.000
624	A	624	ARG	1	0.903	0.942	87.301	0.007	0.007	0.000	0.000	0.000	0.000
625	A	625	ALA	0	-0.002	0.005	88.030	0.000	0.000	0.000	0.000	0.000	0.000
626	A	626	ASP	-1	-0.744	-0.853	84.388	-0.006	-0.006	0.000	0.000	0.000	0.000
627	A	627	PHE	0	0.023	-0.004	81.855	0.000	0.000	0.000	0.000	0.000	0.000
628	A	628	VAL	0	0.012	0.007	83.354	0.000	0.000	0.000	0.000	0.000	0.000
629	A	629	GLY	0	-0.016	0.001	83.717	0.000	0.000	0.000	0.000	0.000	0.000
630	A	630	ILE	0	-0.017	-0.016	77.910	0.000	0.000	0.000	0.000	0.000	0.000
631	A	631	LEU	0	0.014	-0.001	79.099	0.000	0.000	0.000	0.000	0.000	0.000
632	A	632	ARG	1	0.820	0.876	80.327	0.008	0.008	0.000	0.000	0.000	0.000
633	A	633	ALA	0	-0.020	0.006	77.011	0.000	0.000	0.000	0.000	0.000	0.000
634	A	634	MET	0	-0.035	0.005	72.025	0.000	0.000	0.000	0.000	0.000	0.000
635	A	635	ARG	1	0.958	0.990	76.511	0.009	0.009	0.000	0.000	0.000	0.000
636	A	636	GLY	0	0.012	0.007	75.780	0.000	0.000	0.000	0.000	0.000	0.000
637	A	637	LEU	0	-0.040	-0.015	70.671	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	638	PRO	0	-0.012	0.011	70.690	0.000	0.000	0.000	0.000	0.000	0.000
639	A	639	VAL	0	-0.009	-0.026	73.238	0.000	0.000	0.000	0.000	0.000	0.000
640	A	640	THR	0	0.008	-0.011	72.240	0.000	0.000	0.000	0.000	0.000	0.000
641	A	641	ILE	0	-0.052	-0.025	74.631	0.000	0.000	0.000	0.000	0.000	0.000
642	A	642	ARG	1	0.840	0.925	74.627	0.008	0.008	0.000	0.000	0.000	0.000
643	A	643	LEU	0	-0.011	-0.003	77.541	0.000	0.000	0.000	0.000	0.000	0.000
644	A	644	LEU	0	0.015	-0.002	80.218	0.000	0.000	0.000	0.000	0.000	0.000
645	A	645	ASP	-1	-0.774	-0.859	77.825	-0.007	-0.007	0.000	0.000	0.000	0.000
646	A	646	PRO	0	0.030	0.026	80.245	0.000	0.000	0.000	0.000	0.000	0.000
647	A	647	PRO	0	0.037	0.031	81.684	0.000	0.000	0.000	0.000	0.000	0.000
648	A	648	LEU	0	0.009	-0.017	84.896	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	HIS	1	0.871	0.948	85.941	0.004	0.004	0.000	0.000	0.000	0.000
650	A	650	GLU	-1	-0.832	-0.915	81.153	-0.005	-0.005	0.000	0.000	0.000	0.000
651	A	651	PHE	0	-0.020	-0.003	84.834	0.000	0.000	0.000	0.000	0.000	0.000
652	A	652	VAL	0	-0.048	-0.018	88.470	0.000	0.000	0.000	0.000	0.000	0.000
653	A	653	PRO	0	-0.006	-0.005	89.946	0.000	0.000	0.000	0.000	0.000	0.000
654	A	654	HIS	0	0.030	0.005	91.077	0.000	0.000	0.000	0.000	0.000	0.000
655	A	655	ASP	-1	-0.973	-0.990	93.049	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	656	ALA	0	-0.005	0.007	95.523	0.000	0.000	0.000	0.000	0.000	0.000
657	A	657	ALA	0	0.046	0.050	97.393	0.000	0.000	0.000	0.000	0.000	0.000
658	A	658	ALA	0	-0.036	-0.022	99.112	0.000	0.000	0.000	0.000	0.000	0.000
659	A	659	GLN	0	-0.089	-0.070	97.267	0.000	0.000	0.000	0.000	0.000	0.000
660	A	660	PHE	0	0.027	0.002	100.226	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	GLU	-1	-0.806	-0.911	102.711	-0.002	-0.002	0.000	0.000	0.000	0.000
662	A	662	LEU	0	-0.055	-0.026	100.091	0.000	0.000	0.000	0.000	0.000	0.000
663	A	663	ALA	0	-0.031	0.011	103.884	0.000	0.000	0.000	0.000	0.000	0.000
664	A	664	GLN	0	-0.003	-0.007	104.197	0.000	0.000	0.000	0.000	0.000	0.000
665	A	665	LYS	1	0.901	0.951	107.403	0.004	0.004	0.000	0.000	0.000	0.000
666	A	666	LEU	0	0.050	0.018	109.579	0.000	0.000	0.000	0.000	0.000	0.000
667	A	667	GLY	0	0.005	0.010	110.209	0.000	0.000	0.000	0.000	0.000	0.000
668	A	668	MET	0	-0.047	-0.033	104.420	0.000	0.000	0.000	0.000	0.000	0.000
669	A	669	PRO	0	0.058	0.045	106.275	0.000	0.000	0.000	0.000	0.000	0.000
670	A	670	ALA	0	0.109	0.046	102.151	0.000	0.000	0.000	0.000	0.000	0.000
671	A	671	GLU	-1	-0.814	-0.902	101.436	-0.002	-0.002	0.000	0.000	0.000	0.000
672	A	672	LYS	1	0.791	0.891	101.565	0.003	0.003	0.000	0.000	0.000	0.000
673	A	673	VAL	0	0.023	0.027	97.119	0.000	0.000	0.000	0.000	0.000	0.000
674	A	674	ARG	1	0.893	0.907	97.301	0.002	0.002	0.000	0.000	0.000	0.000
675	A	675	ASN	0	0.019	0.021	96.923	0.000	0.000	0.000	0.000	0.000	0.000
676	A	676	ARG	1	0.864	0.921	94.794	0.004	0.004	0.000	0.000	0.000	0.000
677	A	677	VAL	0	0.020	0.016	92.448	0.000	0.000	0.000	0.000	0.000	0.000
678	A	678	ASN	0	0.003	-0.015	91.791	0.000	0.000	0.000	0.000	0.000	0.000
679	A	679	ALA	0	-0.032	-0.015	91.907	0.000	0.000	0.000	0.000	0.000	0.000
680	A	680	LEU	0	-0.032	-0.011	89.919	0.000	0.000	0.000	0.000	0.000	0.000
681	A	681	HIS	0	-0.001	0.005	85.530	0.000	0.000	0.000	0.000	0.000	0.000
682	A	682	GLU	-1	-0.817	-0.918	83.673	-0.005	-0.005	0.000	0.000	0.000	0.000
683	A	683	LEU	0	-0.003	-0.012	82.193	0.000	0.000	0.000	0.000	0.000	0.000
684	A	684	ASN	0	0.013	0.005	77.450	0.000	0.000	0.000	0.000	0.000	0.000
685	A	685	PRO	0	0.066	0.035	79.634	0.000	0.000	0.000	0.000	0.000	0.000
686	A	686	MET	0	-0.019	0.021	72.251	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	687	LEU	0	-0.019	-0.023	73.986	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	688	GLY	0	0.018	0.028	77.984	0.000	0.000	0.000	0.000	0.000	0.000
689	A	689	HIS	0	-0.060	-0.048	81.546	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	690	ARG	1	0.789	0.854	78.151	0.006	0.006	0.000	0.000	0.000	0.000
691	A	691	GLY	0	-0.016	-0.021	79.931	0.000	0.000	0.000	0.000	0.000	0.000
692	A	692	CYS	0	-0.100	-0.032	79.707	0.000	0.000	0.000	0.000	0.000	0.000
693	A	693	ARG	1	0.934	0.967	77.103	0.008	0.008	0.000	0.000	0.000	0.000
694	A	694	LEU	0	0.010	0.018	83.715	0.000	0.000	0.000	0.000	0.000	0.000
695	A	695	GLY	0	0.015	0.008	84.793	0.000	0.000	0.000	0.000	0.000	0.000
696	A	696	ILE	0	-0.035	-0.027	84.939	0.000	0.000	0.000	0.000	0.000	0.000
697	A	697	THR	0	-0.086	-0.027	87.612	0.000	0.000	0.000	0.000	0.000	0.000
698	A	698	TYR	0	-0.019	-0.021	89.602	0.000	0.000	0.000	0.000	0.000	0.000
699	A	699	PRO	0	0.064	0.041	89.459	0.000	0.000	0.000	0.000	0.000	0.000
700	A	700	GLU	-1	-0.863	-0.942	90.247	-0.007	-0.007	0.000	0.000	0.000	0.000
701	A	701	ILE	0	-0.012	-0.006	87.827	0.000	0.000	0.000	0.000	0.000	0.000
702	A	702	TYR	0	0.021	-0.014	82.188	0.000	0.000	0.000	0.000	0.000	0.000
703	A	703	ASN	0	-0.051	-0.035	87.421	0.000	0.000	0.000	0.000	0.000	0.000
704	A	704	MET	0	-0.041	-0.010	89.641	0.000	0.000	0.000	0.000	0.000	0.000
705	A	705	GLN	0	0.045	0.009	83.292	0.000	0.000	0.000	0.000	0.000	0.000
706	A	706	VAL	0	0.005	0.010	84.591	0.000	0.000	0.000	0.000	0.000	0.000
707	A	707	ARG	1	0.847	0.904	86.651	0.007	0.007	0.000	0.000	0.000	0.000
708	A	708	ALA	0	-0.007	0.001	88.024	0.000	0.000	0.000	0.000	0.000	0.000
709	A	709	ILE	0	-0.006	-0.002	82.031	0.000	0.000	0.000	0.000	0.000	0.000
710	A	710	ILE	0	0.010	-0.005	83.899	0.000	0.000	0.000	0.000	0.000	0.000
711	A	711	GLU	-1	-0.780	-0.868	86.769	-0.008	-0.008	0.000	0.000	0.000	0.000
712	A	712	ALA	0	-0.021	-0.006	86.096	0.000	0.000	0.000	0.000	0.000	0.000
713	A	713	ALA	0	-0.023	-0.021	83.507	0.000	0.000	0.000	0.000	0.000	0.000
714	A	714	ILE	0	0.002	-0.004	84.970	0.000	0.000	0.000	0.000	0.000	0.000
715	A	715	ALA	0	0.007	0.009	87.595	0.000	0.000	0.000	0.000	0.000	0.000
716	A	716	VAL	0	-0.015	-0.018	82.443	0.000	0.000	0.000	0.000	0.000	0.000
717	A	717	SER	0	-0.038	-0.015	84.477	0.000	0.000	0.000	0.000	0.000	0.000
718	A	718	GLU	-1	-0.799	-0.873	85.434	-0.010	-0.010	0.000	0.000	0.000	0.000
719	A	719	GLU	-1	-0.863	-0.872	86.352	-0.008	-0.008	0.000	0.000	0.000	0.000
720	A	720	GLY	0	-0.029	-0.018	85.387	0.000	0.000	0.000	0.000	0.000	0.000
721	A	721	SER	0	-0.060	-0.026	81.331	0.000	0.000	0.000	0.000	0.000	0.000
722	A	722	SER	0	0.013	-0.005	79.367	0.000	0.000	0.000	0.000	0.000	0.000
723	A	723	VAL	0	-0.001	-0.006	78.572	0.000	0.000	0.000	0.000	0.000	0.000
724	A	724	ILE	0	0.015	0.019	73.864	0.000	0.000	0.000	0.000	0.000	0.000
725	A	725	PRO	0	-0.021	0.001	76.887	0.000	0.000	0.000	0.000	0.000	0.000
726	A	726	GLU	-1	-0.765	-0.843	72.240	-0.014	-0.014	0.000	0.000	0.000	0.000
727	A	727	ILE	0	-0.003	-0.011	76.670	0.000	0.000	0.000	0.000	0.000	0.000
728	A	728	MET	0	-0.010	0.001	72.805	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	729	VAL	0	0.003	-0.002	76.919	0.001	0.001	0.000	0.000	0.000	0.000
730	A	730	PRO	0	0.004	0.011	75.802	0.000	0.000	0.000	0.000	0.000	0.000
731	A	731	LEU	0	-0.009	-0.031	75.089	0.000	0.000	0.000	0.000	0.000	0.000
732	A	732	VAL	0	-0.010	0.002	75.312	0.000	0.000	0.000	0.000	0.000	0.000
733	A	733	GLY	0	0.050	0.012	74.240	0.000	0.000	0.000	0.000	0.000	0.000
734	A	734	LYS	1	0.838	0.908	74.784	0.011	0.011	0.000	0.000	0.000	0.000
735	A	735	LYS	1	0.894	0.955	76.027	0.013	0.013	0.000	0.000	0.000	0.000
736	A	736	GLU	-1	-0.778	-0.901	77.459	-0.012	-0.012	0.000	0.000	0.000	0.000
737	A	737	GLU	-1	-0.778	-0.873	78.762	-0.009	-0.009	0.000	0.000	0.000	0.000
738	A	738	LEU	0	0.042	0.017	76.041	0.000	0.000	0.000	0.000	0.000	0.000
739	A	739	SER	0	-0.053	-0.030	79.908	0.000	0.000	0.000	0.000	0.000	0.000
740	A	740	LEU	0	0.054	0.036	82.096	0.000	0.000	0.000	0.000	0.000	0.000
741	A	741	ILE	0	0.055	0.031	82.137	0.000	0.000	0.000	0.000	0.000	0.000
742	A	742	ARG	1	0.799	0.863	77.539	0.013	0.013	0.000	0.000	0.000	0.000
743	A	743	GLU	-1	-0.886	-0.954	83.059	-0.011	-0.011	0.000	0.000	0.000	0.000
744	A	744	GLU	-1	-0.795	-0.860	86.584	-0.008	-0.008	0.000	0.000	0.000	0.000
745	A	745	VAL	0	0.009	0.005	82.406	0.000	0.000	0.000	0.000	0.000	0.000
746	A	746	VAL	0	0.007	-0.007	83.935	0.000	0.000	0.000	0.000	0.000	0.000
747	A	747	LYS	1	0.845	0.912	86.489	0.009	0.009	0.000	0.000	0.000	0.000
748	A	748	THR	0	-0.040	-0.019	88.664	0.000	0.000	0.000	0.000	0.000	0.000
749	A	749	ALA	0	0.015	0.002	86.157	0.000	0.000	0.000	0.000	0.000	0.000
750	A	750	GLU	-1	-0.741	-0.818	86.682	-0.011	-0.011	0.000	0.000	0.000	0.000
751	A	751	ALA	0	0.010	0.034	90.026	0.000	0.000	0.000	0.000	0.000	0.000
752	A	752	VAL	0	-0.010	-0.004	90.263	0.000	0.000	0.000	0.000	0.000	0.000
753	A	753	ILE	0	-0.012	0.002	87.090	0.000	0.000	0.000	0.000	0.000	0.000
754	A	754	THR	0	-0.025	-0.029	91.149	0.000	0.000	0.000	0.000	0.000	0.000
755	A	755	LYS	1	0.899	0.956	94.461	0.008	0.008	0.000	0.000	0.000	0.000
756	A	756	SER	0	-0.065	-0.051	92.772	0.000	0.000	0.000	0.000	0.000	0.000
757	A	757	GLY	0	-0.026	0.004	94.928	0.000	0.000	0.000	0.000	0.000	0.000
758	A	758	LYS	1	0.809	0.885	90.804	0.009	0.009	0.000	0.000	0.000	0.000
759	A	759	ARG	1	0.814	0.876	84.235	0.012	0.012	0.000	0.000	0.000	0.000
760	A	760	VAL	0	0.041	0.021	83.176	0.000	0.000	0.000	0.000	0.000	0.000
761	A	761	HIS	0	-0.006	-0.005	80.240	0.000	0.000	0.000	0.000	0.000	0.000
762	A	762	TYR	0	-0.034	-0.044	79.774	0.000	0.000	0.000	0.000	0.000	0.000
763	A	763	THR	0	0.006	0.005	75.248	0.000	0.000	0.000	0.000	0.000	0.000
764	A	764	VAL	0	-0.017	-0.017	77.943	0.001	0.001	0.000	0.000	0.000	0.000
765	A	765	GLY	0	0.029	0.014	74.440	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	766	THR	0	-0.063	-0.040	72.363	0.001	0.001	0.000	0.000	0.000	0.000
767	A	767	MET	0	0.015	0.019	71.100	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	768	ILE	0	-0.059	-0.017	67.412	0.000	0.000	0.000	0.000	0.000	0.000
769	A	769	GLU	-1	-0.753	-0.898	68.281	-0.009	-0.009	0.000	0.000	0.000	0.000
770	A	770	VAL	0	0.049	0.041	69.941	0.000	0.000	0.000	0.000	0.000	0.000
771	A	771	PRO	0	0.072	0.025	66.998	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	772	ARG	1	0.867	0.916	68.192	0.011	0.011	0.000	0.000	0.000	0.000
773	A	773	ALA	0	0.000	-0.007	70.633	0.000	0.000	0.000	0.000	0.000	0.000
774	A	774	ALA	0	0.023	0.014	65.044	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	775	VAL	0	0.030	0.017	66.008	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	776	THR	0	-0.018	-0.006	67.481	0.000	0.000	0.000	0.000	0.000	0.000
777	A	777	ALA	0	0.085	0.068	67.080	0.000	0.000	0.000	0.000	0.000	0.000
778	A	778	ASP	-1	-0.773	-0.866	67.901	-0.017	-0.017	0.000	0.000	0.000	0.000
779	A	779	SER	0	-0.077	-0.052	69.581	0.000	0.000	0.000	0.000	0.000	0.000
780	A	780	ILE	0	-0.001	-0.004	72.075	0.000	0.000	0.000	0.000	0.000	0.000
781	A	781	ALA	0	0.041	0.019	70.028	0.000	0.000	0.000	0.000	0.000	0.000
782	A	782	GLN	0	-0.022	-0.014	72.164	0.000	0.000	0.000	0.000	0.000	0.000
783	A	783	LYS	1	0.842	0.925	75.259	0.012	0.012	0.000	0.000	0.000	0.000
784	A	784	ALA	0	-0.006	0.028	73.165	0.000	0.000	0.000	0.000	0.000	0.000
785	A	785	ASP	-1	-0.793	-0.870	74.063	-0.014	-0.014	0.000	0.000	0.000	0.000
786	A	786	PHE	0	-0.036	-0.033	70.504	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	787	PHE	0	-0.009	-0.010	66.897	0.001	0.001	0.000	0.000	0.000	0.000
788	A	788	SER	0	0.016	0.010	67.862	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	789	PHE	0	0.033	-0.001	64.156	0.000	0.000	0.000	0.000	0.000	0.000
790	A	790	GLY	0	0.046	0.019	66.346	0.000	0.000	0.000	0.000	0.000	0.000
791	A	791	THR	0	-0.001	-0.034	62.021	0.000	0.000	0.000	0.000	0.000	0.000
792	A	792	ASN	0	0.000	0.012	64.741	0.001	0.001	0.000	0.000	0.000	0.000
793	A	793	ASP	-1	-0.771	-0.881	66.589	-0.007	-0.007	0.000	0.000	0.000	0.000
794	A	794	LEU	0	-0.019	-0.003	64.161	0.000	0.000	0.000	0.000	0.000	0.000
795	A	795	THR	0	0.018	-0.011	62.688	0.000	0.000	0.000	0.000	0.000	0.000
796	A	796	GLN	0	-0.022	-0.003	64.979	0.001	0.001	0.000	0.000	0.000	0.000
797	A	797	MET	0	-0.065	-0.040	68.269	0.000	0.000	0.000	0.000	0.000	0.000
798	A	798	GLY	0	-0.046	-0.022	65.202	0.000	0.000	0.000	0.000	0.000	0.000
799	A	799	CYS	0	-0.039	-0.015	62.201	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	GLY	0	-0.007	0.018	64.759	0.001	0.001	0.000	0.000	0.000	0.000
801	A	801	PHE	0	-0.058	-0.031	62.091	0.001	0.001	0.000	0.000	0.000	0.000
802	A	802	SER	0	0.011	-0.036	68.073	-0.001	-0.001	0.000	0.000	0.000	0.000
803	A	803	ARG	1	0.827	0.866	65.049	0.006	0.006	0.000	0.000	0.000	0.000
804	A	804	ASP	-1	-0.941	-0.967	68.852	-0.003	-0.003	0.000	0.000	0.000	0.000
805	A	805	ASP	-1	-0.866	-0.908	71.360	-0.002	-0.002	0.000	0.000	0.000	0.000
806	A	806	ALA	0	-0.002	-0.006	66.297	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	GLY	0	-0.033	-0.012	66.544	0.000	0.000	0.000	0.000	0.000	0.000
808	A	808	PRO	0	-0.005	-0.016	66.336	0.000	0.000	0.000	0.000	0.000	0.000
809	A	809	PHE	0	0.015	0.020	64.075	0.001	0.001	0.000	0.000	0.000	0.000
810	A	810	LEU	0	0.026	0.015	60.849	0.000	0.000	0.000	0.000	0.000	0.000
811	A	811	ARG	1	0.889	0.944	60.477	0.000	0.000	0.000	0.000	0.000	0.000
812	A	812	HIS	0	0.040	0.020	59.075	0.000	0.000	0.000	0.000	0.000	0.000
813	A	813	TYR	0	0.016	-0.011	58.199	0.000	0.000	0.000	0.000	0.000	0.000
814	A	814	GLY	0	0.036	0.033	55.818	0.000	0.000	0.000	0.000	0.000	0.000
815	A	815	ASN	0	-0.073	-0.038	54.415	0.000	0.000	0.000	0.000	0.000	0.000
816	A	816	LEU	0	-0.046	-0.019	53.464	0.001	0.001	0.000	0.000	0.000	0.000
817	A	817	GLY	0	-0.018	0.003	51.781	0.000	0.000	0.000	0.000	0.000	0.000
818	A	818	ILE	0	-0.038	-0.011	52.444	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	819	TYR	0	0.022	0.001	54.893	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	820	ALA	0	-0.018	-0.011	50.622	0.001	0.001	0.000	0.000	0.000	0.000
821	A	821	GLN	0	-0.016	-0.011	52.562	0.001	0.001	0.000	0.000	0.000	0.000
822	A	822	ASP	-1	-0.835	-0.919	55.307	-0.005	-0.005	0.000	0.000	0.000	0.000
823	A	823	PRO	0	0.049	0.031	58.602	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	824	PHE	0	-0.032	-0.028	59.560	-0.001	-0.001	0.000	0.000	0.000	0.000
825	A	825	GLN	0	-0.092	-0.052	59.142	0.000	0.000	0.000	0.000	0.000	0.000
826	A	826	SER	0	-0.078	-0.065	55.170	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	827	ILE	0	-0.040	-0.020	56.069	0.000	0.000	0.000	0.000	0.000	0.000
828	A	828	ASP	-1	-0.738	-0.869	55.693	-0.012	-0.012	0.000	0.000	0.000	0.000
829	A	829	GLN	0	-0.036	-0.039	51.201	-0.002	-0.002	0.000	0.000	0.000	0.000
830	A	830	GLU	-1	-0.951	-0.950	52.416	-0.015	-0.015	0.000	0.000	0.000	0.000
831	A	831	GLY	0	0.033	0.014	54.606	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	832	ILE	0	-0.086	-0.054	58.419	-0.001	-0.001	0.000	0.000	0.000	0.000
833	A	833	GLY	0	0.014	-0.006	56.868	0.000	0.000	0.000	0.000	0.000	0.000
834	A	834	GLU	-1	-0.777	-0.866	55.716	-0.021	-0.021	0.000	0.000	0.000	0.000
835	A	835	LEU	0	-0.020	-0.009	58.021	-0.001	-0.001	0.000	0.000	0.000	0.000
836	A	836	VAL	0	-0.015	-0.009	59.919	0.000	0.000	0.000	0.000	0.000	0.000
837	A	837	ARG	1	0.876	0.921	53.153	0.022	0.022	0.000	0.000	0.000	0.000
838	A	838	ILE	0	-0.002	0.010	59.026	-0.001	-0.001	0.000	0.000	0.000	0.000
839	A	839	ALA	0	-0.006	-0.006	61.521	0.000	0.000	0.000	0.000	0.000	0.000
840	A	840	VAL	0	-0.012	-0.015	60.119	0.000	0.000	0.000	0.000	0.000	0.000
841	A	841	THR	0	-0.025	-0.026	58.332	0.000	0.000	0.000	0.000	0.000	0.000
842	A	842	LYS	1	0.823	0.908	61.498	0.017	0.017	0.000	0.000	0.000	0.000
843	A	843	GLY	0	0.009	-0.005	64.990	0.000	0.000	0.000	0.000	0.000	0.000
844	A	844	ARG	1	0.804	0.872	61.241	0.021	0.021	0.000	0.000	0.000	0.000
845	A	845	ARG	1	0.887	0.936	64.237	0.019	0.019	0.000	0.000	0.000	0.000
846	A	846	VAL	0	-0.058	-0.023	65.429	0.000	0.000	0.000	0.000	0.000	0.000
847	A	847	LYS	1	0.863	0.935	68.402	0.016	0.016	0.000	0.000	0.000	0.000
848	A	848	PRO	0	0.059	0.038	64.412	0.000	0.000	0.000	0.000	0.000	0.000
849	A	849	MET	0	0.023	0.009	64.583	0.000	0.000	0.000	0.000	0.000	0.000
850	A	850	LEU	0	-0.018	0.020	66.864	0.000	0.000	0.000	0.000	0.000	0.000
851	A	851	LYS	1	0.800	0.902	65.213	0.019	0.019	0.000	0.000	0.000	0.000
852	A	852	MET	0	-0.026	0.004	63.869	0.000	0.000	0.000	0.000	0.000	0.000
853	A	853	GLY	0	0.064	0.036	64.045	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	854	ILE	0	-0.015	0.000	60.788	0.000	0.000	0.000	0.000	0.000	0.000
855	A	855	CYS	0	-0.027	-0.010	64.439	0.000	0.000	0.000	0.000	0.000	0.000
856	A	856	GLY	0	0.056	0.026	65.476	0.000	0.000	0.000	0.000	0.000	0.000
857	A	857	GLU	-1	-0.807	-0.874	63.403	-0.007	-0.007	0.000	0.000	0.000	0.000
858	A	858	HIS	0	0.040	0.039	59.844	-0.001	-0.001	0.000	0.000	0.000	0.000
859	A	859	GLY	0	-0.002	0.010	60.019	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	860	GLY	0	0.007	-0.018	60.876	-0.001	-0.001	0.000	0.000	0.000	0.000
861	A	861	ASP	-1	-0.682	-0.782	55.356	-0.011	-0.011	0.000	0.000	0.000	0.000
862	A	862	PRO	0	-0.012	-0.016	52.747	-0.001	-0.001	0.000	0.000	0.000	0.000
863	A	863	ALA	0	0.001	0.022	51.670	-0.001	-0.001	0.000	0.000	0.000	0.000
864	A	864	THR	0	0.003	-0.023	52.687	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	865	ILE	0	-0.012	0.006	55.327	-0.001	-0.001	0.000	0.000	0.000	0.000
866	A	866	GLY	0	-0.003	-0.007	51.765	-0.001	-0.001	0.000	0.000	0.000	0.000
867	A	867	PHE	0	-0.001	0.010	52.498	-0.001	-0.001	0.000	0.000	0.000	0.000
868	A	868	CYS	0	-0.005	-0.013	53.624	-0.001	-0.001	0.000	0.000	0.000	0.000
869	A	869	HIS	0	-0.045	-0.020	51.412	0.000	0.000	0.000	0.000	0.000	0.000
870	A	870	LYS	1	0.826	0.902	46.966	0.028	0.028	0.000	0.000	0.000	0.000
871	A	871	VAL	0	0.008	0.012	52.771	-0.001	-0.001	0.000	0.000	0.000	0.000
872	A	872	GLY	0	0.006	0.021	55.952	0.000	0.000	0.000	0.000	0.000	0.000
873	A	873	LEU	0	-0.022	-0.006	57.776	0.000	0.000	0.000	0.000	0.000	0.000
874	A	874	ASP	-1	-0.787	-0.874	59.814	-0.021	-0.021	0.000	0.000	0.000	0.000
875	A	875	TYR	0	-0.060	-0.033	62.205	0.000	0.000	0.000	0.000	0.000	0.000
876	A	876	VAL	0	0.026	0.017	59.392	0.000	0.000	0.000	0.000	0.000	0.000
877	A	877	SER	0	0.004	-0.008	62.848	0.000	0.000	0.000	0.000	0.000	0.000
878	A	878	CYS	0	0.022	0.033	62.998	0.000	0.000	0.000	0.000	0.000	0.000
879	A	879	SER	0	0.059	0.040	65.097	0.000	0.000	0.000	0.000	0.000	0.000
880	A	880	PRO	0	0.057	0.015	65.797	0.000	0.000	0.000	0.000	0.000	0.000
881	A	881	PHE	0	-0.005	-0.018	65.370	0.000	0.000	0.000	0.000	0.000	0.000
882	A	882	ARG	1	0.784	0.891	57.102	0.009	0.009	0.000	0.000	0.000	0.000
883	A	883	VAL	0	0.017	0.018	61.219	-0.001	-0.001	0.000	0.000	0.000	0.000
884	A	884	PRO	0	0.024	0.004	60.300	-0.001	-0.001	0.000	0.000	0.000	0.000
885	A	885	VAL	0	0.016	0.012	56.136	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	886	ALA	0	0.045	0.014	56.612	-0.001	-0.001	0.000	0.000	0.000	0.000
887	A	887	ILE	0	-0.026	-0.006	57.529	-0.001	-0.001	0.000	0.000	0.000	0.000
888	A	888	VAL	0	0.031	0.002	52.589	-0.001	-0.001	0.000	0.000	0.000	0.000
889	A	889	ALA	0	0.000	0.003	52.899	-0.001	-0.001	0.000	0.000	0.000	0.000
890	A	890	ALA	0	0.014	0.003	52.863	-0.001	-0.001	0.000	0.000	0.000	0.000
891	A	891	ALA	0	-0.003	0.010	53.217	-0.002	-0.002	0.000	0.000	0.000	0.000
892	A	892	HIS	0	0.012	0.009	47.364	-0.003	-0.003	0.000	0.000	0.000	0.000
893	A	893	ALA	0	-0.031	-0.012	48.533	-0.002	-0.002	0.000	0.000	0.000	0.000
894	A	894	SER	0	-0.020	-0.015	49.275	-0.002	-0.002	0.000	0.000	0.000	0.000
895	A	895	ILE	0	-0.017	-0.016	46.436	-0.002	-0.002	0.000	0.000	0.000	0.000
896	A	896	LYS	1	0.869	0.926	44.175	0.022	0.022	0.000	0.000	0.000	0.000
897	A	897	ASP	-1	-0.792	-0.884	45.030	-0.033	-0.033	0.000	0.000	0.000	0.000
898	A	898	ARG	1	0.845	0.911	46.559	0.030	0.030	0.000	0.000	0.000	0.000
899	A	899	ARG	1	0.820	0.888	40.967	0.034	0.034	0.000	0.000	0.000	0.000
900	A	900	ALA	0	-0.056	-0.014	41.893	-0.004	-0.004	0.000	0.000	0.000	0.000
901	A	901	ALA	0	0.018	-0.002	42.289	-0.003	-0.003	0.000	0.000	0.000	0.000
902	A	902	MET	0	-0.032	-0.002	42.211	-0.002	-0.002	0.000	0.000	0.000	0.000
903	A	903	LYS	1	0.878	0.947	37.149	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:1:VAL)