FMO DATABASE

FMODB ID: 9MGN2

Calculation Name: 2IPC-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

Ligand 3-letter code:

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 2IPC

Chain ID: A

ChEMBL ID:

UniProt ID: Q5SIW3

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

Apendix: None

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
Remarks

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	939
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26136250.09905
FMO2-HF: Nuclear repulsion	25762715.974454
FMO2-HF: Total energy	-373534.124596
FMO2-MP2: Total energy	-374636.316759

3D Structure Molmil

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:MET)

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

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.
0.814	0.909	16.239	-7.129	-9.207	-0.013

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.031 / q_NPA : -0.013

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	GLY	0	0.037	0.031	3.873	-0.813	0.986	0.011	-0.878	-0.933	0.002
4	A	4	LEU	0	0.046	0.006	3.958	0.406	0.678	-0.001	-0.041	-0.230	0.000
5	A	5	LEU	0	0.027	0.028	2.052	2.567	-1.008	12.653	-4.272	-4.807	-0.010
6	A	6	ARG	1	0.998	1.001	2.006	-2.489	-0.977	3.577	-1.934	-3.155	-0.005
7	A	7	ARG	1	0.989	1.001	5.307	1.343	1.430	-0.001	-0.004	-0.082	0.000
8	A	8	LEU	0	-0.077	-0.024	7.166	0.182	0.182	0.000	0.000	0.000	0.000
9	A	9	PHE	0	-0.063	-0.054	6.894	0.246	0.246	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.878	-0.932	8.706	-0.020	-0.020	0.000	0.000	0.000	0.000
11	A	11	ASN	0	0.112	0.020	10.820	-0.073	-0.073	0.000	0.000	0.000	0.000
12	A	12	ASN	0	-0.018	0.016	12.973	-0.023	-0.023	0.000	0.000	0.000	0.000
13	A	13	GLU	-1	-0.931	-0.933	9.085	-0.723	-0.723	0.000	0.000	0.000	0.000
14	A	14	ARG	1	0.931	0.948	12.491	0.180	0.180	0.000	0.000	0.000	0.000
15	A	15	GLU	-1	-0.925	-0.969	14.168	-0.112	-0.112	0.000	0.000	0.000	0.000
16	A	16	ILE	0	0.029	0.020	15.482	0.008	0.008	0.000	0.000	0.000	0.000
17	A	17	ALA	0	-0.030	-0.011	15.646	0.011	0.011	0.000	0.000	0.000	0.000
18	A	18	ARG	1	0.866	0.923	17.554	0.162	0.162	0.000	0.000	0.000	0.000
19	A	19	TYR	0	0.027	0.015	20.078	0.011	0.011	0.000	0.000	0.000	0.000
20	A	20	TYR	0	0.009	-0.013	18.381	0.021	0.021	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.915	0.950	21.183	0.232	0.232	0.000	0.000	0.000	0.000
22	A	22	GLN	0	0.048	0.024	23.475	0.013	0.013	0.000	0.000	0.000	0.000
23	A	23	VAL	0	0.039	0.037	25.259	0.011	0.011	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.051	-0.003	23.471	0.004	0.004	0.000	0.000	0.000	0.000
25	A	25	GLU	-1	-0.936	-0.979	22.855	-0.203	-0.203	0.000	0.000	0.000	0.000
26	A	26	PRO	0	-0.024	-0.014	26.964	0.008	0.008	0.000	0.000	0.000	0.000
27	A	27	VAL	0	0.033	0.023	29.852	0.007	0.007	0.000	0.000	0.000	0.000
28	A	28	ASN	0	-0.053	-0.021	26.967	0.013	0.013	0.000	0.000	0.000	0.000
29	A	29	ARG	1	0.830	0.915	29.378	0.131	0.131	0.000	0.000	0.000	0.000
30	A	30	LEU	0	0.042	0.028	32.681	0.005	0.005	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.897	-0.943	34.007	-0.093	-0.093	0.000	0.000	0.000	0.000
32	A	32	ALA	0	-0.037	-0.017	36.176	0.005	0.005	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.914	-0.978	37.860	-0.077	-0.077	0.000	0.000	0.000	0.000
34	A	34	VAL	0	0.027	0.005	38.383	0.005	0.005	0.000	0.000	0.000	0.000
35	A	35	GLU	-1	-0.935	-0.961	39.869	-0.067	-0.067	0.000	0.000	0.000	0.000
36	A	36	LYS	1	0.864	0.944	41.775	0.070	0.070	0.000	0.000	0.000	0.000
37	A	37	LEU	0	-0.002	0.021	42.943	0.003	0.003	0.000	0.000	0.000	0.000
38	A	38	PRO	0	-0.010	-0.010	46.244	0.000	0.000	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.867	-0.944	48.498	-0.038	-0.038	0.000	0.000	0.000	0.000
40	A	40	LEU	0	0.016	0.009	41.953	-0.001	-0.001	0.000	0.000	0.000	0.000
41	A	41	ALA	0	0.056	0.037	45.073	0.000	0.000	0.000	0.000	0.000	0.000
42	A	42	ALA	0	-0.062	-0.025	47.315	0.000	0.000	0.000	0.000	0.000	0.000
43	A	43	ALA	0	0.021	0.019	43.914	0.000	0.000	0.000	0.000	0.000	0.000
44	A	44	TYR	0	0.000	-0.017	40.486	0.000	0.000	0.000	0.000	0.000	0.000
45	A	45	ARG	1	0.933	0.951	44.499	0.034	0.034	0.000	0.000	0.000	0.000
46	A	46	GLU	-1	-0.873	-0.923	45.713	-0.043	-0.043	0.000	0.000	0.000	0.000
47	A	47	LEU	0	-0.023	-0.020	39.357	0.000	0.000	0.000	0.000	0.000	0.000
48	A	48	LYS	1	0.925	0.968	43.896	0.031	0.031	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.879	-0.922	45.424	-0.031	-0.031	0.000	0.000	0.000	0.000
50	A	50	LYS	1	0.858	0.915	43.091	0.047	0.047	0.000	0.000	0.000	0.000
51	A	51	HIS	0	-0.025	-0.024	41.487	0.001	0.001	0.000	0.000	0.000	0.000
52	A	52	GLU	-1	-0.923	-0.947	43.304	-0.030	-0.030	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.888	0.952	46.208	0.037	0.037	0.000	0.000	0.000	0.000
54	A	54	GLY	0	-0.058	-0.034	44.334	0.001	0.001	0.000	0.000	0.000	0.000
55	A	55	ALA	0	-0.053	-0.006	40.666	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	56	SER	0	0.038	0.020	36.152	0.000	0.000	0.000	0.000	0.000	0.000
57	A	57	LEU	0	0.061	0.011	36.222	-0.002	-0.002	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.938	-0.969	31.417	-0.065	-0.065	0.000	0.000	0.000	0.000
59	A	59	GLU	-1	-0.958	-0.995	33.070	-0.061	-0.061	0.000	0.000	0.000	0.000
60	A	60	LEU	0	-0.015	-0.010	34.952	-0.003	-0.003	0.000	0.000	0.000	0.000
61	A	61	LEU	0	0.003	0.021	29.094	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	62	PRO	0	-0.020	-0.015	31.055	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	63	MET	0	0.052	0.024	33.147	0.000	0.000	0.000	0.000	0.000	0.000
64	A	64	ALA	0	0.064	0.036	36.026	0.001	0.001	0.000	0.000	0.000	0.000
65	A	65	PHE	0	0.035	0.025	28.963	0.000	0.000	0.000	0.000	0.000	0.000
66	A	66	ALA	0	0.004	0.005	34.301	0.000	0.000	0.000	0.000	0.000	0.000
67	A	67	LEU	0	0.005	-0.002	35.406	0.001	0.001	0.000	0.000	0.000	0.000
68	A	68	THR	0	0.014	-0.022	35.823	0.003	0.003	0.000	0.000	0.000	0.000
69	A	69	ARG	1	0.911	0.971	30.393	0.110	0.110	0.000	0.000	0.000	0.000
70	A	70	GLU	-1	-0.893	-0.959	35.793	-0.072	-0.072	0.000	0.000	0.000	0.000
71	A	71	SER	0	0.020	0.008	38.886	0.003	0.003	0.000	0.000	0.000	0.000
72	A	72	ALA	0	0.051	0.017	36.841	0.003	0.003	0.000	0.000	0.000	0.000
73	A	73	LYS	1	0.831	0.928	36.673	0.082	0.082	0.000	0.000	0.000	0.000
74	A	74	ARG	1	0.793	0.886	39.236	0.056	0.056	0.000	0.000	0.000	0.000
75	A	75	TYR	0	0.018	-0.013	42.978	0.002	0.002	0.000	0.000	0.000	0.000
76	A	76	LEU	0	0.060	0.041	38.429	0.002	0.002	0.000	0.000	0.000	0.000
77	A	77	GLY	0	-0.106	-0.053	39.861	0.001	0.001	0.000	0.000	0.000	0.000
78	A	78	MET	0	-0.068	-0.025	30.953	-0.004	-0.004	0.000	0.000	0.000	0.000
79	A	79	ARG	1	0.918	0.962	31.469	0.104	0.104	0.000	0.000	0.000	0.000
80	A	80	HIS	0	0.083	0.034	30.648	-0.007	-0.007	0.000	0.000	0.000	0.000
81	A	81	PHE	0	-0.042	-0.026	26.634	-0.006	-0.006	0.000	0.000	0.000	0.000
82	A	82	ASP	-1	-0.769	-0.900	24.512	-0.159	-0.159	0.000	0.000	0.000	0.000
83	A	83	VAL	0	-0.005	-0.005	21.240	0.002	0.002	0.000	0.000	0.000	0.000
84	A	84	GLN	0	-0.007	-0.012	23.641	0.005	0.005	0.000	0.000	0.000	0.000
85	A	85	LEU	0	0.029	0.003	26.844	0.009	0.009	0.000	0.000	0.000	0.000
86	A	86	ILE	0	0.000	0.001	20.389	0.003	0.003	0.000	0.000	0.000	0.000
87	A	87	GLY	0	-0.008	-0.017	24.516	0.008	0.008	0.000	0.000	0.000	0.000
88	A	88	GLY	0	0.037	0.014	25.570	0.008	0.008	0.000	0.000	0.000	0.000
89	A	89	ALA	0	0.024	0.008	25.629	0.007	0.007	0.000	0.000	0.000	0.000
90	A	90	VAL	0	0.008	0.001	22.706	0.006	0.006	0.000	0.000	0.000	0.000
91	A	91	LEU	0	0.025	0.003	25.619	0.008	0.008	0.000	0.000	0.000	0.000
92	A	92	HIS	0	0.050	0.034	28.893	0.009	0.009	0.000	0.000	0.000	0.000
93	A	93	GLU	-1	-0.911	-0.959	25.074	-0.085	-0.085	0.000	0.000	0.000	0.000
94	A	94	GLY	0	-0.012	-0.004	28.289	0.004	0.004	0.000	0.000	0.000	0.000
95	A	95	LYS	1	0.859	0.943	22.374	0.080	0.080	0.000	0.000	0.000	0.000
96	A	96	ILE	0	0.018	0.004	24.126	0.001	0.001	0.000	0.000	0.000	0.000
97	A	97	ALA	0	0.012	0.021	23.032	-0.008	-0.008	0.000	0.000	0.000	0.000
98	A	98	GLU	-1	-0.835	-0.930	18.439	-0.025	-0.025	0.000	0.000	0.000	0.000
99	A	99	MET	0	-0.020	-0.022	21.064	-0.020	-0.020	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.912	0.953	17.991	0.072	0.072	0.000	0.000	0.000	0.000
101	A	101	THR	0	0.031	0.012	23.097	0.006	0.006	0.000	0.000	0.000	0.000
102	A	102	GLY	0	0.018	-0.002	26.573	-0.005	-0.005	0.000	0.000	0.000	0.000
103	A	103	GLU	-1	-0.791	-0.900	30.103	-0.063	-0.063	0.000	0.000	0.000	0.000
104	A	104	GLY	0	-0.086	-0.034	27.746	-0.003	-0.003	0.000	0.000	0.000	0.000
105	A	105	LYS	1	0.836	0.926	26.417	0.046	0.046	0.000	0.000	0.000	0.000
106	A	106	THR	0	0.086	0.050	29.457	-0.002	-0.002	0.000	0.000	0.000	0.000
107	A	107	LEU	0	0.022	-0.005	32.185	0.001	0.001	0.000	0.000	0.000	0.000
108	A	108	VAL	0	-0.068	-0.022	27.612	-0.003	-0.003	0.000	0.000	0.000	0.000
109	A	109	ALA	0	0.056	0.030	30.732	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	110	THR	0	-0.028	-0.009	33.193	0.000	0.000	0.000	0.000	0.000	0.000
111	A	111	LEU	0	-0.004	0.023	30.046	0.000	0.000	0.000	0.000	0.000	0.000
112	A	112	ALA	0	0.020	0.014	31.440	0.002	0.002	0.000	0.000	0.000	0.000
113	A	113	VAL	0	-0.029	-0.008	33.409	0.003	0.003	0.000	0.000	0.000	0.000
114	A	114	ALA	0	0.037	0.028	36.725	0.003	0.003	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.051	-0.011	33.098	0.002	0.002	0.000	0.000	0.000	0.000
116	A	116	ASN	0	0.019	-0.021	34.132	0.003	0.003	0.000	0.000	0.000	0.000
117	A	117	ALA	0	0.032	0.032	38.168	0.003	0.003	0.000	0.000	0.000	0.000
118	A	118	LEU	0	-0.009	0.022	39.645	0.002	0.002	0.000	0.000	0.000	0.000
119	A	119	THR	0	0.003	-0.015	41.570	0.002	0.002	0.000	0.000	0.000	0.000
120	A	120	GLY	0	-0.018	-0.003	43.714	0.002	0.002	0.000	0.000	0.000	0.000
121	A	121	LYS	1	0.944	0.978	42.830	0.028	0.028	0.000	0.000	0.000	0.000
122	A	122	GLY	0	-0.012	0.002	43.943	0.002	0.002	0.000	0.000	0.000	0.000
123	A	123	VAL	0	-0.013	-0.012	38.435	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	124	HIS	0	-0.025	0.012	39.764	0.000	0.000	0.000	0.000	0.000	0.000
125	A	125	VAL	0	0.020	0.007	35.793	-0.002	-0.002	0.000	0.000	0.000	0.000
126	A	126	VAL	0	0.006	0.005	36.220	0.002	0.002	0.000	0.000	0.000	0.000
127	A	127	THR	0	-0.021	-0.025	35.189	-0.001	-0.001	0.000	0.000	0.000	0.000
128	A	128	VAL	0	0.024	0.009	34.236	0.002	0.002	0.000	0.000	0.000	0.000
129	A	129	ASN	0	-0.028	-0.003	37.242	0.001	0.001	0.000	0.000	0.000	0.000
130	A	130	ASP	-1	-0.772	-0.911	40.548	-0.014	-0.014	0.000	0.000	0.000	0.000
131	A	131	TYR	0	-0.015	-0.007	40.294	-0.002	-0.002	0.000	0.000	0.000	0.000
132	A	132	LEU	0	0.018	-0.006	36.241	-0.002	-0.002	0.000	0.000	0.000	0.000
133	A	133	ALA	0	0.078	0.068	39.895	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	134	ARG	1	0.947	0.961	41.360	0.017	0.017	0.000	0.000	0.000	0.000
135	A	135	ARG	1	0.851	0.931	35.711	0.032	0.032	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.848	-0.946	36.361	-0.037	-0.037	0.000	0.000	0.000	0.000
137	A	137	ALA	0	0.005	0.006	39.581	-0.003	-0.003	0.000	0.000	0.000	0.000
138	A	138	GLH	0	-0.100	-0.066	42.489	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	139	TRP	0	0.029	0.035	34.972	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	140	MET	0	-0.038	-0.023	36.953	-0.004	-0.004	0.000	0.000	0.000	0.000
141	A	141	GLY	0	0.037	0.030	40.682	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	142	PRO	0	-0.038	-0.020	43.096	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	143	VAL	0	-0.029	0.000	38.247	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	144	TYR	0	0.025	0.026	38.327	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	145	ARG	1	0.965	0.984	42.872	0.032	0.032	0.000	0.000	0.000	0.000
146	A	146	GLY	0	-0.050	-0.015	45.026	0.001	0.001	0.000	0.000	0.000	0.000
147	A	147	LEU	0	-0.044	-0.025	40.021	-0.001	-0.001	0.000	0.000	0.000	0.000
148	A	148	GLY	0	-0.067	-0.042	44.784	0.001	0.001	0.000	0.000	0.000	0.000
149	A	149	LEU	0	-0.034	-0.005	41.780	0.001	0.001	0.000	0.000	0.000	0.000
150	A	150	SER	0	-0.067	-0.032	45.965	0.001	0.001	0.000	0.000	0.000	0.000
151	A	151	VAL	0	-0.010	-0.013	44.432	0.000	0.000	0.000	0.000	0.000	0.000
152	A	152	GLY	0	0.008	0.017	45.800	0.002	0.002	0.000	0.000	0.000	0.000
153	A	153	VAL	0	-0.040	-0.014	45.000	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	154	ILE	0	0.011	0.020	45.763	0.001	0.001	0.000	0.000	0.000	0.000
155	A	155	GLN	0	-0.067	-0.040	45.597	0.000	0.000	0.000	0.000	0.000	0.000
156	A	156	HIS	0	0.031	0.026	48.061	0.001	0.001	0.000	0.000	0.000	0.000
157	A	157	ALA	0	-0.050	-0.035	49.521	0.000	0.000	0.000	0.000	0.000	0.000
158	A	158	SER	0	-0.065	-0.021	50.614	0.000	0.000	0.000	0.000	0.000	0.000
159	A	159	THR	0	0.057	-0.011	53.107	0.001	0.001	0.000	0.000	0.000	0.000
160	A	160	PRO	0	0.024	0.001	54.930	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	161	ALA	0	0.005	-0.007	55.495	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	162	GLU	-1	-0.837	-0.897	53.504	-0.014	-0.014	0.000	0.000	0.000	0.000
163	A	163	ARG	1	0.764	0.867	49.358	0.010	0.010	0.000	0.000	0.000	0.000
164	A	164	ARG	1	0.986	1.012	50.914	0.011	0.011	0.000	0.000	0.000	0.000
165	A	165	LYS	1	0.890	0.958	52.343	0.019	0.019	0.000	0.000	0.000	0.000
166	A	166	ALA	0	-0.052	-0.032	48.468	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	167	TYR	0	0.036	0.008	45.077	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	168	LEU	0	0.007	0.008	48.000	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	169	ALA	0	-0.060	-0.021	47.457	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	170	ASP	-1	-0.833	-0.918	44.357	-0.032	-0.032	0.000	0.000	0.000	0.000
171	A	171	VAL	0	-0.014	-0.014	40.410	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	172	THR	0	-0.056	-0.043	42.389	0.002	0.002	0.000	0.000	0.000	0.000
173	A	173	TYR	0	0.008	-0.008	38.450	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	174	VAL	0	-0.019	-0.008	41.143	0.002	0.002	0.000	0.000	0.000	0.000
175	A	175	THR	0	0.036	0.043	40.342	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	176	ASN	0	0.078	-0.001	37.883	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	177	SER	0	0.040	0.010	40.065	0.001	0.001	0.000	0.000	0.000	0.000
178	A	178	GLU	-1	-0.871	-0.908	43.012	-0.009	-0.009	0.000	0.000	0.000	0.000
179	A	179	LEU	0	0.008	-0.006	40.532	0.000	0.000	0.000	0.000	0.000	0.000
180	A	180	GLY	0	0.011	0.004	43.503	0.000	0.000	0.000	0.000	0.000	0.000
181	A	181	PHE	0	0.016	-0.017	44.062	0.001	0.001	0.000	0.000	0.000	0.000
182	A	182	ASP	-1	-0.795	-0.867	47.526	-0.011	-0.011	0.000	0.000	0.000	0.000
183	A	183	TYR	0	0.028	0.030	45.674	0.000	0.000	0.000	0.000	0.000	0.000
184	A	184	LEU	0	-0.028	-0.015	46.608	0.000	0.000	0.000	0.000	0.000	0.000
185	A	185	ARG	1	0.891	0.927	49.499	0.008	0.008	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.735	-0.876	50.947	-0.010	-0.010	0.000	0.000	0.000	0.000
187	A	187	ASN	0	-0.125	-0.067	49.782	0.000	0.000	0.000	0.000	0.000	0.000
188	A	188	MET	0	-0.075	-0.043	53.063	0.001	0.001	0.000	0.000	0.000	0.000
189	A	189	ALA	0	-0.051	-0.005	55.809	0.000	0.000	0.000	0.000	0.000	0.000
190	A	190	ILE	0	0.010	0.002	57.857	0.000	0.000	0.000	0.000	0.000	0.000
191	A	191	SER	0	-0.006	-0.003	61.526	0.000	0.000	0.000	0.000	0.000	0.000
192	A	192	PRO	0	0.089	0.004	59.338	0.000	0.000	0.000	0.000	0.000	0.000
193	A	193	ASP	-1	-0.954	-0.957	58.885	-0.011	-0.011	0.000	0.000	0.000	0.000
194	A	194	GLN	0	-0.076	-0.031	58.602	0.000	0.000	0.000	0.000	0.000	0.000
195	A	195	LEU	0	-0.010	0.022	54.576	0.000	0.000	0.000	0.000	0.000	0.000
196	A	196	VAL	0	-0.091	-0.051	51.055	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	197	LEU	0	-0.011	-0.013	46.930	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	198	ARG	1	0.788	0.915	47.014	0.024	0.024	0.000	0.000	0.000	0.000
199	A	199	HIS	0	0.032	0.012	50.648	0.001	0.001	0.000	0.000	0.000	0.000
200	A	200	ASP	-1	-0.907	-0.963	49.298	-0.018	-0.018	0.000	0.000	0.000	0.000
201	A	201	HIS	0	0.031	-0.036	44.965	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	202	PRO	0	-0.064	0.040	45.422	0.000	0.000	0.000	0.000	0.000	0.000
203	A	203	LEU	0	0.005	-0.027	42.107	0.000	0.000	0.000	0.000	0.000	0.000
204	A	204	HIS	0	-0.021	0.000	40.777	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	205	TYR	0	0.039	-0.011	32.106	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	206	ALA	0	0.011	-0.001	36.278	0.001	0.001	0.000	0.000	0.000	0.000
207	A	207	ILE	0	-0.046	-0.004	32.215	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	208	ILE	0	-0.005	-0.019	31.870	0.001	0.001	0.000	0.000	0.000	0.000
209	A	209	ASP	-1	-0.814	-0.929	31.139	-0.040	-0.040	0.000	0.000	0.000	0.000
210	A	210	GLU	-1	-0.875	-0.929	29.927	-0.022	-0.022	0.000	0.000	0.000	0.000
211	A	211	VAL	0	-0.034	0.011	27.056	0.005	0.005	0.000	0.000	0.000	0.000
212	A	212	ASP	-1	-0.759	-0.875	26.164	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	213	SER	0	0.006	-0.010	28.250	0.004	0.004	0.000	0.000	0.000	0.000
214	A	214	ILE	0	0.009	0.001	31.379	0.002	0.002	0.000	0.000	0.000	0.000
215	A	215	LEU	0	-0.055	-0.029	30.381	0.002	0.002	0.000	0.000	0.000	0.000
216	A	216	ILE	0	-0.020	-0.021	26.558	0.003	0.003	0.000	0.000	0.000	0.000
217	A	217	ASP	-1	-0.946	-0.972	29.243	0.017	0.017	0.000	0.000	0.000	0.000
218	A	218	GLU	-1	-0.930	-0.953	32.071	0.001	0.001	0.000	0.000	0.000	0.000
219	A	219	ALA	0	-0.034	0.010	33.688	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	220	ARG	1	0.966	0.960	33.487	-0.015	-0.015	0.000	0.000	0.000	0.000
221	A	221	THR	0	-0.024	-0.016	36.283	0.001	0.001	0.000	0.000	0.000	0.000
222	A	222	PRO	0	-0.027	-0.024	39.610	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	223	LEU	0	-0.035	0.028	42.106	0.000	0.000	0.000	0.000	0.000	0.000
224	A	224	ILE	0	0.014	-0.029	44.517	0.000	0.000	0.000	0.000	0.000	0.000
225	A	225	ILE	0	0.014	0.015	47.965	0.000	0.000	0.000	0.000	0.000	0.000
226	A	226	SER	0	-0.012	-0.003	51.568	0.000	0.000	0.000	0.000	0.000	0.000
227	A	227	GLY	0	0.002	0.004	54.158	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	228	PRO	0	-0.059	-0.046	57.731	0.001	0.001	0.000	0.000	0.000	0.000
229	A	229	ALA	0	0.045	0.033	60.453	0.000	0.000	0.000	0.000	0.000	0.000
230	A	230	GLU	-1	-0.820	-0.910	58.689	0.002	0.002	0.000	0.000	0.000	0.000
231	A	231	LYS	1	0.876	0.921	62.930	0.000	0.000	0.000	0.000	0.000	0.000
232	A	232	ALA	0	0.031	0.012	66.726	0.000	0.000	0.000	0.000	0.000	0.000
233	A	233	THR	0	0.058	0.019	68.298	0.000	0.000	0.000	0.000	0.000	0.000
234	A	234	ASP	-1	-0.935	-0.956	70.244	0.002	0.002	0.000	0.000	0.000	0.000
235	A	235	LEU	0	-0.014	-0.029	71.918	0.000	0.000	0.000	0.000	0.000	0.000
236	A	236	TYR	0	0.075	0.049	66.841	0.000	0.000	0.000	0.000	0.000	0.000
237	A	237	TYR	0	-0.055	-0.047	70.674	0.000	0.000	0.000	0.000	0.000	0.000
238	A	238	LYS	1	0.895	0.939	74.703	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	239	MET	0	0.074	0.058	73.944	0.000	0.000	0.000	0.000	0.000	0.000
240	A	240	ALA	0	0.024	0.019	75.019	0.000	0.000	0.000	0.000	0.000	0.000
241	A	241	GLU	-1	-1.026	-1.026	76.735	0.002	0.002	0.000	0.000	0.000	0.000
242	A	242	ILE	0	0.070	0.048	78.789	0.000	0.000	0.000	0.000	0.000	0.000
243	A	243	ALA	0	0.030	0.014	77.848	0.000	0.000	0.000	0.000	0.000	0.000
244	A	244	LYS	1	0.869	0.937	79.968	-0.003	-0.003	0.000	0.000	0.000	0.000
245	A	245	LYS	1	0.895	0.955	82.457	-0.002	-0.002	0.000	0.000	0.000	0.000
246	A	246	LEU	0	-0.032	-0.009	81.602	0.000	0.000	0.000	0.000	0.000	0.000
247	A	247	GLU	-1	-0.971	-0.971	84.474	0.002	0.002	0.000	0.000	0.000	0.000
248	A	248	ARG	1	0.905	0.973	82.139	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	249	GLY	0	-0.019	-0.020	85.048	0.000	0.000	0.000	0.000	0.000	0.000
250	A	250	LEU	0	-0.021	-0.008	85.712	0.000	0.000	0.000	0.000	0.000	0.000
251	A	251	PRO	0	0.068	0.013	84.278	0.000	0.000	0.000	0.000	0.000	0.000
252	A	252	ALA	0	-0.022	-0.007	86.113	0.000	0.000	0.000	0.000	0.000	0.000
253	A	253	GLU	-1	-0.867	-0.935	87.962	0.001	0.001	0.000	0.000	0.000	0.000
254	A	254	PRO	0	-0.064	-0.043	91.348	0.000	0.000	0.000	0.000	0.000	0.000
255	A	255	GLY	0	0.042	0.031	91.735	0.000	0.000	0.000	0.000	0.000	0.000
256	A	256	VAL	0	-0.093	-0.026	92.797	0.000	0.000	0.000	0.000	0.000	0.000
257	A	257	ARG	1	0.895	0.929	87.899	0.000	0.000	0.000	0.000	0.000	0.000
258	A	258	LYS	1	0.969	0.998	84.778	0.000	0.000	0.000	0.000	0.000	0.000
259	A	259	GLU	-1	-0.809	-0.886	87.869	0.002	0.002	0.000	0.000	0.000	0.000
260	A	260	PRO	0	-0.011	0.032	87.704	0.000	0.000	0.000	0.000	0.000	0.000
261	A	261	THR	0	-0.020	-0.011	82.584	0.000	0.000	0.000	0.000	0.000	0.000
262	A	262	GLY	0	0.001	0.010	81.835	0.000	0.000	0.000	0.000	0.000	0.000
263	A	263	ASP	-1	-0.849	-0.913	80.637	0.002	0.002	0.000	0.000	0.000	0.000
264	A	264	TYR	0	-0.011	-0.046	79.000	0.000	0.000	0.000	0.000	0.000	0.000
265	A	265	THR	0	-0.040	0.010	74.018	0.000	0.000	0.000	0.000	0.000	0.000
266	A	266	VAL	0	0.061	-0.004	76.367	0.000	0.000	0.000	0.000	0.000	0.000
267	A	267	GLU	-1	-0.947	-0.990	75.005	0.005	0.005	0.000	0.000	0.000	0.000
268	A	268	GLU	-1	-0.862	-0.905	73.063	0.005	0.005	0.000	0.000	0.000	0.000
269	A	269	LYS	1	0.797	0.961	71.400	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	270	ASN	0	0.103	-0.001	68.776	0.000	0.000	0.000	0.000	0.000	0.000
271	A	271	ARG	1	0.790	0.875	68.374	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	272	SER	0	0.068	0.051	73.797	0.000	0.000	0.000	0.000	0.000	0.000
273	A	273	VAL	0	-0.012	-0.032	75.821	0.000	0.000	0.000	0.000	0.000	0.000
274	A	274	HIS	0	0.039	0.023	75.626	0.000	0.000	0.000	0.000	0.000	0.000
275	A	275	LEU	0	-0.005	-0.030	80.459	0.000	0.000	0.000	0.000	0.000	0.000
276	A	276	THR	0	-0.046	-0.036	82.680	0.000	0.000	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.048	0.008	85.124	0.000	0.000	0.000	0.000	0.000	0.000
278	A	278	GLN	0	0.000	0.014	86.750	0.000	0.000	0.000	0.000	0.000	0.000
279	A	279	GLY	0	0.039	0.008	84.670	0.000	0.000	0.000	0.000	0.000	0.000
280	A	280	ILE	0	-0.021	-0.012	81.767	0.000	0.000	0.000	0.000	0.000	0.000
281	A	281	ALA	0	0.100	0.023	83.589	0.000	0.000	0.000	0.000	0.000	0.000
282	A	282	LYS	1	0.824	0.914	86.148	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	283	ALA	0	0.025	0.008	80.941	0.000	0.000	0.000	0.000	0.000	0.000
284	A	284	GLU	-1	-0.792	-0.885	82.154	0.000	0.000	0.000	0.000	0.000	0.000
285	A	285	LYS	1	0.895	0.940	83.149	0.000	0.000	0.000	0.000	0.000	0.000
286	A	286	LEU	0	-0.079	-0.027	81.478	0.000	0.000	0.000	0.000	0.000	0.000
287	A	287	LEU	0	-0.082	-0.059	78.979	0.000	0.000	0.000	0.000	0.000	0.000
288	A	288	GLY	0	0.009	0.025	81.073	0.000	0.000	0.000	0.000	0.000	0.000
289	A	289	ILE	0	-0.035	-0.004	82.109	0.000	0.000	0.000	0.000	0.000	0.000
290	A	290	GLU	-1	-0.904	-0.963	82.173	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	291	GLY	0	-0.006	-0.016	82.023	0.000	0.000	0.000	0.000	0.000	0.000
292	A	292	LEU	0	-0.009	-0.021	79.044	0.000	0.000	0.000	0.000	0.000	0.000
293	A	293	PHE	0	0.002	0.014	76.684	0.000	0.000	0.000	0.000	0.000	0.000
294	A	294	SER	0	-0.041	-0.009	76.755	0.000	0.000	0.000	0.000	0.000	0.000
295	A	295	PRO	0	-0.036	-0.023	75.771	0.000	0.000	0.000	0.000	0.000	0.000
296	A	296	GLU	-1	-0.895	-0.967	73.211	-0.003	-0.003	0.000	0.000	0.000	0.000
297	A	297	ASN	0	-0.090	-0.016	72.946	0.000	0.000	0.000	0.000	0.000	0.000
298	A	298	MET	0	0.041	0.048	68.454	0.000	0.000	0.000	0.000	0.000	0.000
299	A	299	GLU	-1	-0.859	-0.936	68.675	-0.001	-0.001	0.000	0.000	0.000	0.000
300	A	300	LEU	0	-0.038	-0.015	70.100	0.000	0.000	0.000	0.000	0.000	0.000
301	A	301	ALA	0	0.024	0.008	73.415	0.000	0.000	0.000	0.000	0.000	0.000
302	A	302	HIS	0	-0.033	0.022	66.051	0.000	0.000	0.000	0.000	0.000	0.000
303	A	303	MET	0	0.043	0.004	70.000	0.000	0.000	0.000	0.000	0.000	0.000
304	A	304	LEU	0	-0.018	-0.028	71.784	0.000	0.000	0.000	0.000	0.000	0.000
305	A	305	ILE	0	-0.023	-0.031	72.263	0.000	0.000	0.000	0.000	0.000	0.000
306	A	306	GLN	0	-0.013	0.001	67.037	0.000	0.000	0.000	0.000	0.000	0.000
307	A	307	ALA	0	-0.031	-0.005	71.353	0.000	0.000	0.000	0.000	0.000	0.000
308	A	308	ILE	0	-0.058	-0.041	73.813	0.000	0.000	0.000	0.000	0.000	0.000
309	A	309	ARG	1	0.881	0.953	69.405	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	310	ALA	0	0.000	0.012	70.949	0.000	0.000	0.000	0.000	0.000	0.000
311	A	311	LYS	1	0.843	0.913	72.360	-0.003	-0.003	0.000	0.000	0.000	0.000
312	A	312	GLU	-1	-0.969	-1.003	75.882	0.003	0.003	0.000	0.000	0.000	0.000
313	A	313	LEU	0	-0.021	0.021	70.950	0.000	0.000	0.000	0.000	0.000	0.000
314	A	314	TYR	0	0.041	0.025	66.279	0.000	0.000	0.000	0.000	0.000	0.000
315	A	315	HIS	1	0.882	0.950	71.962	-0.005	-0.005	0.000	0.000	0.000	0.000
316	A	316	ARG	1	0.940	0.966	71.443	-0.005	-0.005	0.000	0.000	0.000	0.000
317	A	317	ASP	-1	-0.926	-0.952	70.579	0.007	0.007	0.000	0.000	0.000	0.000
318	A	318	ARG	1	0.798	0.901	70.947	-0.006	-0.006	0.000	0.000	0.000	0.000
319	A	319	ASP	-1	-0.800	-0.896	67.499	0.006	0.006	0.000	0.000	0.000	0.000
320	A	320	TYR	0	-0.012	-0.032	65.992	0.000	0.000	0.000	0.000	0.000	0.000
321	A	321	ILE	0	0.024	0.030	66.101	0.000	0.000	0.000	0.000	0.000	0.000
322	A	322	VAL	0	0.020	0.000	66.303	0.000	0.000	0.000	0.000	0.000	0.000
323	A	323	GLN	0	-0.058	-0.036	64.515	0.000	0.000	0.000	0.000	0.000	0.000
324	A	324	ASP	-1	-0.911	-0.968	67.625	0.008	0.008	0.000	0.000	0.000	0.000
325	A	325	GLY	0	-0.113	-0.023	63.942	0.000	0.000	0.000	0.000	0.000	0.000
326	A	326	GLN	0	0.004	-0.028	62.696	0.000	0.000	0.000	0.000	0.000	0.000
327	A	327	VAL	0	-0.010	-0.002	65.127	0.000	0.000	0.000	0.000	0.000	0.000
328	A	328	ILE	0	-0.034	-0.007	60.663	0.000	0.000	0.000	0.000	0.000	0.000
329	A	329	ILE	0	0.010	0.005	60.660	0.000	0.000	0.000	0.000	0.000	0.000
330	A	330	VAL	0	-0.020	0.016	62.235	0.001	0.001	0.000	0.000	0.000	0.000
331	A	331	ASP	-1	-0.898	-0.950	58.209	0.009	0.009	0.000	0.000	0.000	0.000
332	A	332	GLU	-1	-0.911	-0.961	61.815	0.007	0.007	0.000	0.000	0.000	0.000
333	A	333	PHE	0	-0.053	-0.015	57.622	0.000	0.000	0.000	0.000	0.000	0.000
334	A	334	THR	0	-0.082	-0.060	57.469	0.000	0.000	0.000	0.000	0.000	0.000
335	A	335	GLY	0	0.025	0.035	60.217	0.000	0.000	0.000	0.000	0.000	0.000
336	A	336	ARG	1	0.908	0.950	53.936	-0.012	-0.012	0.000	0.000	0.000	0.000
337	A	337	LEU	0	0.043	0.030	60.688	0.000	0.000	0.000	0.000	0.000	0.000
338	A	338	MET	0	-0.011	-0.013	57.386	0.001	0.001	0.000	0.000	0.000	0.000
339	A	339	PRO	0	-0.098	-0.065	54.534	0.000	0.000	0.000	0.000	0.000	0.000
340	A	340	GLY	0	0.029	0.017	55.139	0.000	0.000	0.000	0.000	0.000	0.000
341	A	341	ARG	1	0.916	0.967	52.483	-0.010	-0.010	0.000	0.000	0.000	0.000
342	A	342	ARG	1	0.909	0.967	57.249	-0.005	-0.005	0.000	0.000	0.000	0.000
343	A	343	TYR	0	0.056	0.018	59.563	0.000	0.000	0.000	0.000	0.000	0.000
344	A	344	GLY	0	0.056	0.025	60.463	0.000	0.000	0.000	0.000	0.000	0.000
345	A	345	GLU	-1	-0.857	-0.941	61.332	0.002	0.002	0.000	0.000	0.000	0.000
346	A	346	GLY	0	0.090	0.044	62.666	0.000	0.000	0.000	0.000	0.000	0.000
347	A	347	LEU	0	-0.042	-0.021	63.813	0.000	0.000	0.000	0.000	0.000	0.000
348	A	348	HIS	0	-0.021	0.000	62.479	0.000	0.000	0.000	0.000	0.000	0.000
349	A	349	GLN	0	0.162	0.057	62.324	0.000	0.000	0.000	0.000	0.000	0.000
350	A	350	ALA	0	0.002	0.007	66.447	0.000	0.000	0.000	0.000	0.000	0.000
351	A	351	ILE	0	-0.014	-0.019	67.557	0.000	0.000	0.000	0.000	0.000	0.000
352	A	352	GLU	-1	-0.897	-0.950	65.192	0.006	0.006	0.000	0.000	0.000	0.000
353	A	353	ALA	0	-0.011	-0.003	69.118	0.000	0.000	0.000	0.000	0.000	0.000
354	A	354	LYS	1	0.766	0.901	71.977	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	355	GLU	-1	-0.900	-0.988	71.283	0.005	0.005	0.000	0.000	0.000	0.000
356	A	356	GLY	0	-0.050	-0.001	73.304	0.000	0.000	0.000	0.000	0.000	0.000
357	A	357	VAL	0	-0.005	0.019	67.259	0.000	0.000	0.000	0.000	0.000	0.000
358	A	358	ARG	1	0.927	0.965	67.632	-0.006	-0.006	0.000	0.000	0.000	0.000
359	A	359	ILE	0	0.058	0.053	65.435	0.000	0.000	0.000	0.000	0.000	0.000
360	A	360	GLU	-1	-0.884	-0.930	60.575	0.004	0.004	0.000	0.000	0.000	0.000
361	A	361	ARG	1	0.832	0.884	62.948	-0.005	-0.005	0.000	0.000	0.000	0.000
362	A	362	GLU	-1	-0.943	-0.973	58.573	0.006	0.006	0.000	0.000	0.000	0.000
363	A	363	ASN	0	-0.034	-0.014	54.577	0.000	0.000	0.000	0.000	0.000	0.000
364	A	364	GLN	0	0.092	0.054	54.513	0.001	0.001	0.000	0.000	0.000	0.000
365	A	365	THR	0	-0.082	-0.079	50.038	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	366	LEU	0	-0.007	-0.002	52.878	0.000	0.000	0.000	0.000	0.000	0.000
367	A	367	ALA	0	0.016	-0.001	50.496	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	368	THR	0	0.006	0.003	44.906	0.000	0.000	0.000	0.000	0.000	0.000
369	A	369	ILE	0	0.033	0.014	42.191	0.000	0.000	0.000	0.000	0.000	0.000
370	A	370	THR	0	-0.016	0.014	38.082	0.000	0.000	0.000	0.000	0.000	0.000
371	A	371	TYR	0	0.104	0.022	36.640	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	372	GLN	0	0.014	0.004	33.759	-0.004	-0.004	0.000	0.000	0.000	0.000
373	A	373	ASN	0	0.051	-0.009	36.146	-0.002	-0.002	0.000	0.000	0.000	0.000
374	A	374	PHE	0	0.013	0.017	38.782	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	375	PHE	0	0.025	0.023	35.877	-0.001	-0.001	0.000	0.000	0.000	0.000
376	A	376	ARG	1	0.840	0.923	34.160	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	LEU	0	-0.072	-0.040	37.114	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	378	TYR	0	-0.047	-0.014	37.540	0.000	0.000	0.000	0.000	0.000	0.000
379	A	379	GLU	-1	-0.901	-0.925	38.223	-0.025	-0.025	0.000	0.000	0.000	0.000
380	A	380	LYS	1	0.780	0.876	32.460	0.046	0.046	0.000	0.000	0.000	0.000
381	A	381	ARG	1	0.923	0.970	32.792	0.019	0.019	0.000	0.000	0.000	0.000
382	A	382	ALA	0	0.055	-0.015	29.674	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	383	GLY	0	0.013	-0.028	28.898	0.005	0.005	0.000	0.000	0.000	0.000
384	A	384	MET	0	-0.059	-0.012	26.674	-0.010	-0.010	0.000	0.000	0.000	0.000
385	A	385	THR	0	0.054	0.009	24.475	0.005	0.005	0.000	0.000	0.000	0.000
386	A	386	GLY	0	-0.017	0.015	22.858	-0.008	-0.008	0.000	0.000	0.000	0.000
387	A	387	THR	0	-0.128	-0.084	21.335	0.002	0.002	0.000	0.000	0.000	0.000
388	A	388	ALA	0	0.044	0.009	21.165	0.002	0.002	0.000	0.000	0.000	0.000
389	A	389	LYS	1	0.810	0.910	15.255	0.040	0.040	0.000	0.000	0.000	0.000
390	A	390	THR	0	-0.101	-0.058	18.316	0.010	0.010	0.000	0.000	0.000	0.000
391	A	391	GLU	-1	-0.847	-0.927	19.311	0.042	0.042	0.000	0.000	0.000	0.000
392	A	392	GLU	-1	-0.799	-0.874	18.321	-0.027	-0.027	0.000	0.000	0.000	0.000
393	A	393	LYS	1	0.975	0.988	20.612	-0.033	-0.033	0.000	0.000	0.000	0.000
394	A	394	GLU	-1	-0.861	-0.922	22.284	0.018	0.018	0.000	0.000	0.000	0.000
395	A	395	PHE	0	-0.005	-0.010	24.008	-0.002	-0.002	0.000	0.000	0.000	0.000
396	A	396	GLN	0	0.018	-0.002	21.053	0.006	0.006	0.000	0.000	0.000	0.000
397	A	397	GLU	-1	-0.941	-0.964	24.662	0.010	0.010	0.000	0.000	0.000	0.000
398	A	398	ILE	0	-0.072	-0.035	27.733	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	399	TYR	0	-0.076	-0.043	29.559	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	400	GLY	0	0.006	0.013	28.906	-0.003	-0.003	0.000	0.000	0.000	0.000
401	A	401	MET	0	-0.089	0.025	27.238	-0.005	-0.005	0.000	0.000	0.000	0.000
402	A	402	ASP	-1	-0.818	-0.904	21.674	-0.030	-0.030	0.000	0.000	0.000	0.000
403	A	403	VAL	0	-0.052	-0.039	19.699	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	404	VAL	0	-0.012	0.001	18.825	-0.008	-0.008	0.000	0.000	0.000	0.000
405	A	405	VAL	0	-0.065	-0.040	15.521	0.007	0.007	0.000	0.000	0.000	0.000
406	A	406	VAL	0	0.002	0.005	16.920	-0.037	-0.037	0.000	0.000	0.000	0.000
407	A	407	PRO	0	-0.040	-0.014	16.133	0.008	0.008	0.000	0.000	0.000	0.000
408	A	408	THR	0	0.011	-0.003	18.006	0.035	0.035	0.000	0.000	0.000	0.000
409	A	409	ASN	0	-0.045	-0.011	20.000	-0.035	-0.035	0.000	0.000	0.000	0.000
410	A	410	ARG	1	0.951	0.970	21.510	0.110	0.110	0.000	0.000	0.000	0.000
411	A	411	PRO	0	0.004	-0.006	17.063	0.017	0.017	0.000	0.000	0.000	0.000
412	A	412	VAL	0	0.022	0.016	17.495	0.018	0.018	0.000	0.000	0.000	0.000
413	A	413	ILE	0	0.042	0.017	17.988	-0.004	-0.004	0.000	0.000	0.000	0.000
414	A	414	ARG	1	0.799	0.917	20.280	0.017	0.017	0.000	0.000	0.000	0.000
415	A	415	LYS	1	0.934	0.943	20.189	0.002	0.002	0.000	0.000	0.000	0.000
416	A	416	ASP	-1	-0.792	-0.857	19.717	0.030	0.030	0.000	0.000	0.000	0.000
417	A	417	PHE	0	-0.095	-0.050	20.545	0.015	0.015	0.000	0.000	0.000	0.000
418	A	418	PRO	0	0.004	-0.003	20.797	0.001	0.001	0.000	0.000	0.000	0.000
419	A	419	ASP	-1	-0.816	-0.905	22.487	0.068	0.068	0.000	0.000	0.000	0.000
420	A	420	VAL	0	-0.021	-0.015	25.311	0.004	0.004	0.000	0.000	0.000	0.000
421	A	421	VAL	0	-0.027	-0.010	27.409	-0.005	-0.005	0.000	0.000	0.000	0.000
422	A	422	TYR	0	0.024	-0.002	30.071	0.000	0.000	0.000	0.000	0.000	0.000
423	A	423	ARG	1	1.024	1.023	33.773	-0.038	-0.038	0.000	0.000	0.000	0.000
424	A	424	THR	0	-0.008	0.029	35.899	-0.002	-0.002	0.000	0.000	0.000	0.000
425	A	425	GLU	-1	-0.806	-0.927	37.406	0.027	0.027	0.000	0.000	0.000	0.000
426	A	426	LYS	1	0.954	0.967	38.446	-0.022	-0.022	0.000	0.000	0.000	0.000
427	A	427	GLY	0	0.017	-0.024	39.091	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	428	LYS	1	0.866	0.945	33.581	-0.034	-0.034	0.000	0.000	0.000	0.000
429	A	429	PHE	0	-0.013	-0.008	36.474	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	430	TYR	0	-0.026	-0.011	38.839	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	431	ALA	0	0.002	0.000	35.394	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	432	VAL	0	0.040	0.024	34.923	-0.001	-0.001	0.000	0.000	0.000	0.000
433	A	433	VAL	0	-0.028	-0.015	36.716	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	434	GLU	-1	-0.883	-0.943	37.944	0.024	0.024	0.000	0.000	0.000	0.000
435	A	435	GLU	-1	-0.772	-0.838	31.606	0.025	0.025	0.000	0.000	0.000	0.000
436	A	436	ILE	0	0.015	0.005	36.073	-0.003	-0.003	0.000	0.000	0.000	0.000
437	A	437	ALA	0	0.034	0.018	37.860	-0.003	-0.003	0.000	0.000	0.000	0.000
438	A	438	GLU	-1	-0.914	-0.947	34.073	0.015	0.015	0.000	0.000	0.000	0.000
439	A	439	LYS	1	0.845	0.931	31.606	-0.016	-0.016	0.000	0.000	0.000	0.000
440	A	440	TYR	0	-0.036	-0.008	36.549	-0.004	-0.004	0.000	0.000	0.000	0.000
441	A	441	GLU	-1	-0.863	-0.970	40.003	0.004	0.004	0.000	0.000	0.000	0.000
442	A	442	ARG	1	0.805	0.927	32.823	0.005	0.005	0.000	0.000	0.000	0.000
443	A	443	GLY	0	0.008	-0.005	38.536	-0.003	-0.003	0.000	0.000	0.000	0.000
444	A	444	GLN	0	-0.113	-0.043	29.768	0.000	0.000	0.000	0.000	0.000	0.000
445	A	445	PRO	0	-0.012	0.012	33.695	0.002	0.002	0.000	0.000	0.000	0.000
446	A	446	VAL	0	0.023	0.005	34.054	0.002	0.002	0.000	0.000	0.000	0.000
447	A	447	LEU	0	-0.020	-0.008	32.187	-0.002	-0.002	0.000	0.000	0.000	0.000
448	A	448	VAL	0	-0.005	-0.006	33.058	0.003	0.003	0.000	0.000	0.000	0.000
449	A	449	GLY	0	-0.013	0.002	33.518	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	450	THR	0	-0.049	-0.055	34.472	0.004	0.004	0.000	0.000	0.000	0.000
451	A	451	ILE	0	0.068	0.030	32.682	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	452	SER	0	0.014	0.005	36.923	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	453	ILE	0	0.047	0.007	40.679	0.000	0.000	0.000	0.000	0.000	0.000
454	A	454	GLU	-1	-0.887	-0.927	43.767	0.015	0.015	0.000	0.000	0.000	0.000
455	A	455	LYS	1	0.894	0.946	37.859	-0.024	-0.024	0.000	0.000	0.000	0.000
456	A	456	SER	0	0.017	0.007	40.877	0.001	0.001	0.000	0.000	0.000	0.000
457	A	457	GLU	-1	-0.815	-0.919	42.246	0.004	0.004	0.000	0.000	0.000	0.000
458	A	458	ARG	1	0.881	0.977	43.915	-0.015	-0.015	0.000	0.000	0.000	0.000
459	A	459	LEU	0	0.009	-0.026	38.521	0.000	0.000	0.000	0.000	0.000	0.000
460	A	460	SER	0	0.055	0.011	43.071	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	461	GLN	0	-0.076	-0.051	45.305	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	462	MET	0	-0.044	-0.039	42.354	0.000	0.000	0.000	0.000	0.000	0.000
463	A	463	LEU	0	0.013	0.011	41.705	0.000	0.000	0.000	0.000	0.000	0.000
464	A	464	LYS	1	0.880	0.963	45.977	-0.005	-0.005	0.000	0.000	0.000	0.000
465	A	465	GLU	-1	-0.873	-0.934	49.092	0.007	0.007	0.000	0.000	0.000	0.000
466	A	466	PRO	0	0.023	0.022	49.053	0.001	0.001	0.000	0.000	0.000	0.000
467	A	467	ARG	1	0.881	0.916	50.128	-0.006	-0.006	0.000	0.000	0.000	0.000
468	A	468	LEU	0	-0.016	-0.017	47.787	0.001	0.001	0.000	0.000	0.000	0.000
469	A	469	TYR	0	0.015	0.017	41.665	0.001	0.001	0.000	0.000	0.000	0.000
470	A	470	LEU	0	-0.008	-0.009	46.963	0.001	0.001	0.000	0.000	0.000	0.000
471	A	471	PRO	0	0.014	0.031	46.911	0.001	0.001	0.000	0.000	0.000	0.000
472	A	472	ARG	1	0.940	0.976	37.932	-0.027	-0.027	0.000	0.000	0.000	0.000
473	A	473	LEU	0	0.010	0.012	45.226	0.001	0.001	0.000	0.000	0.000	0.000
474	A	474	GLU	-1	-0.915	-0.979	47.226	0.017	0.017	0.000	0.000	0.000	0.000
475	A	475	MET	0	-0.039	-0.023	45.116	0.001	0.001	0.000	0.000	0.000	0.000
476	A	476	ARG	1	0.862	0.924	37.793	-0.031	-0.031	0.000	0.000	0.000	0.000
477	A	477	LEU	0	0.011	0.011	45.005	0.000	0.000	0.000	0.000	0.000	0.000
478	A	478	GLU	-1	-0.892	-0.969	48.492	0.024	0.024	0.000	0.000	0.000	0.000
479	A	479	LEU	0	-0.011	0.000	42.257	0.001	0.001	0.000	0.000	0.000	0.000
480	A	480	PHE	0	0.022	0.020	45.552	0.001	0.001	0.000	0.000	0.000	0.000
481	A	481	LYS	1	0.942	0.944	46.674	-0.018	-0.018	0.000	0.000	0.000	0.000
482	A	482	LYS	1	0.951	0.980	45.480	-0.028	-0.028	0.000	0.000	0.000	0.000
483	A	483	ALA	0	-0.008	0.007	45.401	0.000	0.000	0.000	0.000	0.000	0.000
484	A	484	SER	0	-0.021	-0.006	47.495	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	485	GLN	0	0.039	0.006	49.852	0.000	0.000	0.000	0.000	0.000	0.000
486	A	486	LYS	1	0.875	0.963	48.857	-0.029	-0.029	0.000	0.000	0.000	0.000
487	A	487	GLN	0	-0.064	-0.033	49.715	0.001	0.001	0.000	0.000	0.000	0.000
488	A	488	GLN	0	0.049	-0.001	53.844	0.000	0.000	0.000	0.000	0.000	0.000
489	A	489	GLY	0	-0.027	0.009	57.568	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	490	PRO	0	0.069	0.025	59.099	0.000	0.000	0.000	0.000	0.000	0.000
491	A	491	GLU	-1	-0.897	-0.963	55.347	0.011	0.011	0.000	0.000	0.000	0.000
492	A	492	TRP	0	0.096	0.003	49.415	0.000	0.000	0.000	0.000	0.000	0.000
493	A	493	GLU	-1	-0.923	-0.968	56.282	0.013	0.013	0.000	0.000	0.000	0.000
494	A	494	ARG	1	0.838	0.952	58.625	-0.010	-0.010	0.000	0.000	0.000	0.000
495	A	495	LEU	0	0.034	0.040	51.991	0.000	0.000	0.000	0.000	0.000	0.000
496	A	496	ARG	1	0.836	0.951	51.509	-0.018	-0.018	0.000	0.000	0.000	0.000
497	A	497	LYS	1	0.990	0.997	56.812	-0.009	-0.009	0.000	0.000	0.000	0.000
498	A	498	LEU	0	-0.051	-0.007	56.157	0.000	0.000	0.000	0.000	0.000	0.000
499	A	499	LEU	0	-0.002	0.003	51.449	0.000	0.000	0.000	0.000	0.000	0.000
500	A	500	GLU	-1	-1.027	-0.993	54.987	0.014	0.014	0.000	0.000	0.000	0.000
501	A	501	ARG	1	0.831	0.899	56.942	-0.009	-0.009	0.000	0.000	0.000	0.000
502	A	502	PRO	0	0.051	0.018	53.921	0.000	0.000	0.000	0.000	0.000	0.000
503	A	503	ALA	0	-0.026	-0.023	53.965	0.000	0.000	0.000	0.000	0.000	0.000
504	A	504	GLN	0	0.011	0.013	55.304	0.000	0.000	0.000	0.000	0.000	0.000
505	A	505	LEU	0	0.036	0.022	51.534	0.000	0.000	0.000	0.000	0.000	0.000
506	A	506	LYS	1	1.003	1.020	51.647	-0.003	-0.003	0.000	0.000	0.000	0.000
507	A	507	ASP	-1	-0.838	-0.941	47.378	0.008	0.008	0.000	0.000	0.000	0.000
508	A	508	GLU	-1	-0.930	-0.977	49.855	0.004	0.004	0.000	0.000	0.000	0.000
509	A	509	ASP	-1	-0.957	-0.972	52.851	0.010	0.010	0.000	0.000	0.000	0.000
510	A	510	LEU	0	-0.004	-0.016	47.954	0.001	0.001	0.000	0.000	0.000	0.000
511	A	511	ALA	0	0.002	0.008	49.518	0.001	0.001	0.000	0.000	0.000	0.000
512	A	512	PRO	0	-0.013	0.003	50.568	0.000	0.000	0.000	0.000	0.000	0.000
513	A	513	PHE	0	0.020	-0.005	52.148	0.000	0.000	0.000	0.000	0.000	0.000
514	A	514	GLU	-1	-0.908	-0.957	46.091	0.013	0.013	0.000	0.000	0.000	0.000
515	A	515	GLY	0	-0.010	0.005	48.232	0.001	0.001	0.000	0.000	0.000	0.000
516	A	516	LEU	0	-0.054	-0.032	50.594	0.001	0.001	0.000	0.000	0.000	0.000
517	A	517	ILE	0	-0.013	-0.003	43.915	0.002	0.002	0.000	0.000	0.000	0.000
518	A	518	PRO	0	-0.054	0.002	43.755	0.000	0.000	0.000	0.000	0.000	0.000
519	A	519	PRO	0	0.062	0.005	40.582	0.001	0.001	0.000	0.000	0.000	0.000
520	A	520	LYS	1	0.934	0.952	38.722	-0.037	-0.037	0.000	0.000	0.000	0.000
521	A	521	GLY	0	0.072	0.027	37.359	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	522	ASN	0	0.022	0.003	38.214	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	523	LEU	0	0.042	0.042	39.905	0.000	0.000	0.000	0.000	0.000	0.000
524	A	524	ARG	1	0.976	1.013	39.906	-0.023	-0.023	0.000	0.000	0.000	0.000
525	A	525	THR	0	0.016	-0.003	36.671	0.000	0.000	0.000	0.000	0.000	0.000
526	A	526	ALA	0	0.010	0.003	39.066	0.000	0.000	0.000	0.000	0.000	0.000
527	A	527	TRP	0	-0.020	-0.016	41.927	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	528	GLU	-1	-0.882	-0.939	38.119	0.021	0.021	0.000	0.000	0.000	0.000
529	A	529	GLY	0	-0.081	-0.037	40.294	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	530	LEU	0	-0.001	-0.013	41.091	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	531	LYS	1	0.969	0.990	43.062	-0.014	-0.014	0.000	0.000	0.000	0.000
532	A	532	ARG	1	0.968	0.986	35.113	-0.031	-0.031	0.000	0.000	0.000	0.000
533	A	533	ALA	0	0.021	0.026	42.200	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	534	VAL	0	-0.003	-0.007	44.207	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	535	HIS	1	0.826	0.925	41.792	-0.009	-0.009	0.000	0.000	0.000	0.000
536	A	536	THR	0	0.033	-0.010	42.400	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	537	LEU	0	0.004	-0.002	44.208	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	538	ALA	0	0.018	0.013	47.783	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	539	VAL	0	0.020	0.042	43.227	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	540	LEU	0	0.000	-0.020	44.303	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	541	ARG	1	0.843	0.926	47.276	-0.008	-0.008	0.000	0.000	0.000	0.000
542	A	542	GLN	0	-0.080	-0.014	46.486	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	543	GLY	0	-0.004	-0.008	49.074	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	544	ILE	0	-0.029	-0.003	42.591	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	545	PRO	0	-0.065	-0.037	45.264	0.001	0.001	0.000	0.000	0.000	0.000
546	A	546	HIS	0	-0.008	0.027	43.467	0.000	0.000	0.000	0.000	0.000	0.000
547	A	547	GLN	0	0.077	0.007	42.593	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	548	VAL	0	-0.012	0.006	42.061	0.000	0.000	0.000	0.000	0.000	0.000
549	A	549	LEU	0	-0.007	0.001	38.967	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	550	ASN	0	-0.049	-0.062	40.979	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	551	ALA	0	0.051	0.012	40.159	0.000	0.000	0.000	0.000	0.000	0.000
552	A	552	LYS	1	0.882	0.983	42.247	0.001	0.001	0.000	0.000	0.000	0.000
553	A	553	HIS	0	0.010	0.003	45.944	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	554	HIS	0	0.091	0.018	39.935	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	555	ALA	0	-0.002	0.011	42.798	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	556	ARG	1	0.958	0.972	44.846	0.012	0.012	0.000	0.000	0.000	0.000
557	A	557	GLU	-1	-0.786	-0.917	42.006	-0.006	-0.006	0.000	0.000	0.000	0.000
558	A	558	ALA	0	0.024	0.023	40.151	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	559	GLU	-1	-0.860	-0.940	40.594	-0.022	-0.022	0.000	0.000	0.000	0.000
560	A	560	ILE	0	-0.084	-0.035	41.981	0.000	0.000	0.000	0.000	0.000	0.000
561	A	561	VAL	0	-0.067	-0.029	36.596	0.000	0.000	0.000	0.000	0.000	0.000
562	A	562	ALA	0	-0.002	0.007	37.763	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	563	GLN	0	-0.002	-0.006	38.420	-0.005	-0.005	0.000	0.000	0.000	0.000
564	A	564	ALA	0	-0.019	-0.013	36.543	0.001	0.001	0.000	0.000	0.000	0.000
565	A	565	GLY	0	-0.039	-0.020	35.386	0.002	0.002	0.000	0.000	0.000	0.000
566	A	566	ARG	1	0.969	0.985	36.100	0.020	0.020	0.000	0.000	0.000	0.000
567	A	567	SER	0	-0.036	-0.016	38.188	0.004	0.004	0.000	0.000	0.000	0.000
568	A	568	LYS	1	0.928	0.977	38.931	0.013	0.013	0.000	0.000	0.000	0.000
569	A	569	THR	0	-0.014	-0.020	39.039	0.002	0.002	0.000	0.000	0.000	0.000
570	A	570	VAL	0	0.018	-0.001	38.651	0.001	0.001	0.000	0.000	0.000	0.000
571	A	571	THR	0	-0.010	0.000	37.738	0.000	0.000	0.000	0.000	0.000	0.000
572	A	572	ILE	0	-0.024	-0.014	37.580	0.001	0.001	0.000	0.000	0.000	0.000
573	A	573	ALA	0	0.027	0.017	35.661	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	574	THR	0	0.007	0.027	36.911	0.002	0.002	0.000	0.000	0.000	0.000
575	A	575	ASN	0	0.037	0.024	35.208	0.003	0.003	0.000	0.000	0.000	0.000
576	A	576	MET	0	0.015	0.002	32.356	-0.002	-0.002	0.000	0.000	0.000	0.000
577	A	577	ALA	0	-0.003	0.006	34.707	-0.003	-0.003	0.000	0.000	0.000	0.000
578	A	578	GLY	0	0.086	0.052	36.927	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	579	ARG	1	0.767	0.869	32.464	0.007	0.007	0.000	0.000	0.000	0.000
580	A	580	GLY	0	0.065	0.031	33.669	0.000	0.000	0.000	0.000	0.000	0.000
581	A	581	THR	0	-0.032	0.005	34.563	-0.004	-0.004	0.000	0.000	0.000	0.000
582	A	582	ASP	-1	-0.859	-0.944	31.857	-0.043	-0.043	0.000	0.000	0.000	0.000
583	A	583	ILE	0	-0.020	0.000	32.545	0.000	0.000	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.926	0.969	32.395	0.049	0.049	0.000	0.000	0.000	0.000
585	A	585	LEU	0	-0.027	0.006	30.367	0.005	0.005	0.000	0.000	0.000	0.000
586	A	586	GLY	0	0.091	0.026	34.739	-0.001	-0.001	0.000	0.000	0.000	0.000
587	A	587	GLY	0	-0.041	-0.010	38.060	-0.003	-0.003	0.000	0.000	0.000	0.000
588	A	588	ASN	0	0.047	0.001	39.436	0.002	0.002	0.000	0.000	0.000	0.000
589	A	589	PRO	0	-0.036	-0.055	39.999	0.001	0.001	0.000	0.000	0.000	0.000
590	A	590	GLU	-1	-0.798	-0.891	41.861	-0.023	-0.023	0.000	0.000	0.000	0.000
591	A	591	TYR	0	0.026	0.002	43.479	0.002	0.002	0.000	0.000	0.000	0.000
592	A	592	LEU	0	-0.054	0.001	43.860	0.000	0.000	0.000	0.000	0.000	0.000
593	A	593	ALA	0	0.019	-0.002	46.276	0.001	0.001	0.000	0.000	0.000	0.000
594	A	594	ALA	0	0.015	-0.024	47.805	0.001	0.001	0.000	0.000	0.000	0.000
595	A	595	ALA	0	-0.021	-0.002	49.738	0.001	0.001	0.000	0.000	0.000	0.000
596	A	596	LEU	0	-0.063	-0.047	49.880	0.001	0.001	0.000	0.000	0.000	0.000
597	A	597	LEU	0	-0.027	0.046	49.699	0.000	0.000	0.000	0.000	0.000	0.000
598	A	598	GLU	-1	-1.015	-0.997	53.391	-0.016	-0.016	0.000	0.000	0.000	0.000
599	A	599	LYS	1	0.928	0.959	56.070	0.019	0.019	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.894	-0.946	55.616	-0.024	-0.024	0.000	0.000	0.000	0.000
601	A	601	GLY	0	0.007	0.006	54.084	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	602	PHE	0	0.022	0.022	49.031	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	603	ASP	-1	-0.890	-0.980	50.966	-0.022	-0.022	0.000	0.000	0.000	0.000
604	A	604	ARG	1	0.975	0.994	51.381	0.022	0.022	0.000	0.000	0.000	0.000
605	A	605	TYR	0	-0.115	-0.078	52.521	-0.001	-0.001	0.000	0.000	0.000	0.000
606	A	606	GLU	-1	-0.803	-0.895	45.335	-0.036	-0.036	0.000	0.000	0.000	0.000
607	A	607	TRP	0	-0.029	-0.024	46.869	-0.001	-0.001	0.000	0.000	0.000	0.000
608	A	608	LYS	1	0.846	0.913	47.921	0.032	0.032	0.000	0.000	0.000	0.000
609	A	609	VAL	0	0.069	0.036	48.377	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	610	GLU	-1	-0.772	-0.884	44.059	-0.033	-0.033	0.000	0.000	0.000	0.000
611	A	611	LEU	0	-0.039	0.023	43.535	-0.003	-0.003	0.000	0.000	0.000	0.000
612	A	612	PHE	0	0.025	0.004	45.376	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	613	ILE	0	-0.016	-0.003	44.145	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	614	LYS	1	0.872	0.931	37.442	0.051	0.051	0.000	0.000	0.000	0.000
615	A	615	LYS	1	0.893	0.944	41.760	0.049	0.049	0.000	0.000	0.000	0.000
616	A	616	MET	0	-0.008	0.013	44.160	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	617	VAL	0	-0.035	-0.022	39.939	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	618	ALA	0	-0.100	-0.044	39.886	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	619	GLY	0	-0.031	0.000	40.877	-0.003	-0.003	0.000	0.000	0.000	0.000
620	A	620	LYS	1	0.912	0.953	39.485	0.060	0.060	0.000	0.000	0.000	0.000
621	A	621	GLU	-1	-0.873	-0.932	45.237	-0.040	-0.040	0.000	0.000	0.000	0.000
622	A	622	GLU	-1	-0.868	-0.990	46.250	-0.049	-0.049	0.000	0.000	0.000	0.000
623	A	623	GLU	-1	-0.885	-0.965	43.700	-0.054	-0.054	0.000	0.000	0.000	0.000
624	A	624	ALA	0	-0.020	-0.014	47.701	0.001	0.001	0.000	0.000	0.000	0.000
625	A	625	ARG	1	0.890	0.988	49.142	0.042	0.042	0.000	0.000	0.000	0.000
626	A	626	ALA	0	0.010	0.011	51.588	0.002	0.002	0.000	0.000	0.000	0.000
627	A	627	LEU	0	0.019	-0.003	47.720	0.001	0.001	0.000	0.000	0.000	0.000
628	A	628	ALA	0	0.030	-0.010	52.248	0.001	0.001	0.000	0.000	0.000	0.000
629	A	629	GLN	0	-0.052	-0.012	54.325	0.002	0.002	0.000	0.000	0.000	0.000
630	A	630	GLU	-1	-0.952	-0.965	53.834	-0.032	-0.032	0.000	0.000	0.000	0.000
631	A	631	LEU	0	-0.038	0.015	52.087	0.001	0.001	0.000	0.000	0.000	0.000
632	A	632	GLY	0	0.026	0.017	56.684	0.000	0.000	0.000	0.000	0.000	0.000
633	A	633	ILE	0	-0.070	-0.022	52.730	0.001	0.001	0.000	0.000	0.000	0.000
634	A	634	ARG	1	0.929	0.963	56.880	0.021	0.021	0.000	0.000	0.000	0.000
635	A	635	GLU	-1	-0.834	-0.953	56.986	-0.028	-0.028	0.000	0.000	0.000	0.000
636	A	636	GLU	-1	-0.958	-0.967	56.391	-0.020	-0.020	0.000	0.000	0.000	0.000
637	A	637	LEU	0	-0.003	-0.005	54.323	0.000	0.000	0.000	0.000	0.000	0.000
638	A	638	LEU	0	-0.008	-0.013	51.894	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	639	GLU	-1	-0.893	-0.946	51.700	-0.031	-0.031	0.000	0.000	0.000	0.000
640	A	640	ARG	1	0.942	0.993	49.246	0.022	0.022	0.000	0.000	0.000	0.000
641	A	641	ILE	0	0.013	0.004	47.472	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	642	ARG	1	0.926	0.960	47.420	0.033	0.033	0.000	0.000	0.000	0.000
643	A	643	GLU	-1	-0.896	-0.941	47.425	-0.024	-0.024	0.000	0.000	0.000	0.000
644	A	644	ILE	0	0.001	-0.004	45.230	0.000	0.000	0.000	0.000	0.000	0.000
645	A	645	ARG	1	0.874	0.932	42.732	0.042	0.042	0.000	0.000	0.000	0.000
646	A	646	GLU	-1	-0.895	-0.969	42.780	-0.044	-0.044	0.000	0.000	0.000	0.000
647	A	647	GLU	-1	-0.966	-0.960	43.859	-0.026	-0.026	0.000	0.000	0.000	0.000
648	A	648	CYS	0	-0.025	-0.026	40.287	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	LYS	1	0.932	0.980	37.455	0.054	0.054	0.000	0.000	0.000	0.000
650	A	650	GLN	0	0.031	-0.002	38.199	-0.004	-0.004	0.000	0.000	0.000	0.000
651	A	651	ASP	-1	-0.790	-0.864	39.466	-0.023	-0.023	0.000	0.000	0.000	0.000
652	A	652	GLU	-1	-0.969	-0.984	33.404	-0.058	-0.058	0.000	0.000	0.000	0.000
653	A	653	GLU	-1	-0.974	-0.998	34.507	-0.038	-0.038	0.000	0.000	0.000	0.000
654	A	654	ARG	1	0.905	0.949	35.002	0.025	0.025	0.000	0.000	0.000	0.000
655	A	655	VAL	0	0.012	0.003	32.888	0.002	0.002	0.000	0.000	0.000	0.000
656	A	656	ARG	1	0.910	0.955	28.089	0.070	0.070	0.000	0.000	0.000	0.000
657	A	657	ALA	0	-0.044	-0.018	30.247	-0.005	-0.005	0.000	0.000	0.000	0.000
658	A	658	LEU	0	-0.056	-0.020	31.970	0.003	0.003	0.000	0.000	0.000	0.000
659	A	659	GLY	0	-0.055	-0.026	29.077	0.007	0.007	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.044	0.006	28.482	-0.006	-0.006	0.000	0.000	0.000	0.000
661	A	661	LEU	0	-0.008	-0.014	29.680	0.004	0.004	0.000	0.000	0.000	0.000
662	A	662	PHE	0	-0.024	-0.015	27.164	0.003	0.003	0.000	0.000	0.000	0.000
663	A	663	ILE	0	0.008	0.015	28.001	0.000	0.000	0.000	0.000	0.000	0.000
664	A	664	ILE	0	-0.023	-0.002	29.037	0.006	0.006	0.000	0.000	0.000	0.000
665	A	665	GLY	0	0.023	0.012	29.906	-0.004	-0.004	0.000	0.000	0.000	0.000
666	A	666	THR	0	-0.036	-0.032	30.939	0.004	0.004	0.000	0.000	0.000	0.000
667	A	667	GLU	-1	-0.847	-0.947	31.537	0.031	0.031	0.000	0.000	0.000	0.000
668	A	668	ARG	1	0.796	0.910	22.018	-0.080	-0.080	0.000	0.000	0.000	0.000
669	A	669	HIS	0	0.078	0.030	28.748	0.002	0.002	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.892	-0.949	28.812	0.031	0.031	0.000	0.000	0.000	0.000
671	A	671	SER	0	0.016	-0.031	25.631	0.002	0.002	0.000	0.000	0.000	0.000
672	A	672	ARG	1	0.953	1.000	16.421	-0.085	-0.085	0.000	0.000	0.000	0.000
673	A	673	ARG	1	0.783	0.906	23.070	-0.023	-0.023	0.000	0.000	0.000	0.000
674	A	674	ILE	0	0.026	0.024	23.953	-0.005	-0.005	0.000	0.000	0.000	0.000
675	A	675	ASP	-1	-0.888	-0.942	24.442	0.047	0.047	0.000	0.000	0.000	0.000
676	A	676	ASN	0	-0.003	-0.029	19.672	0.003	0.003	0.000	0.000	0.000	0.000
677	A	677	GLN	0	0.007	0.005	23.472	-0.004	-0.004	0.000	0.000	0.000	0.000
678	A	678	LEU	0	-0.015	-0.005	26.107	-0.006	-0.006	0.000	0.000	0.000	0.000
679	A	679	ARG	1	0.899	0.961	22.478	-0.061	-0.061	0.000	0.000	0.000	0.000
680	A	680	GLY	0	0.019	0.004	23.927	-0.006	-0.006	0.000	0.000	0.000	0.000
681	A	681	ARG	1	0.871	0.940	24.856	0.000	0.000	0.000	0.000	0.000	0.000
682	A	682	ALA	0	0.009	0.009	26.608	-0.004	-0.004	0.000	0.000	0.000	0.000
683	A	683	GLY	0	-0.016	-0.007	24.431	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	684	ARG	1	0.881	0.942	23.913	0.054	0.054	0.000	0.000	0.000	0.000
685	A	685	GLN	0	0.057	0.022	24.208	-0.019	-0.019	0.000	0.000	0.000	0.000
686	A	686	GLY	0	-0.039	-0.007	22.540	-0.002	-0.002	0.000	0.000	0.000	0.000
687	A	687	ASP	-1	-0.912	-0.963	23.606	-0.063	-0.063	0.000	0.000	0.000	0.000
688	A	688	PRO	0	-0.020	0.005	24.584	0.001	0.001	0.000	0.000	0.000	0.000
689	A	689	GLY	0	0.042	-0.003	25.351	0.001	0.001	0.000	0.000	0.000	0.000
690	A	690	GLY	0	-0.052	-0.009	24.475	0.002	0.002	0.000	0.000	0.000	0.000
691	A	691	SER	0	-0.017	-0.025	23.340	-0.002	-0.002	0.000	0.000	0.000	0.000
692	A	692	ARG	1	0.901	0.947	25.265	-0.033	-0.033	0.000	0.000	0.000	0.000
693	A	693	PHE	0	0.004	0.018	25.503	-0.007	-0.007	0.000	0.000	0.000	0.000
694	A	694	TYR	0	-0.071	-0.061	28.003	0.005	0.005	0.000	0.000	0.000	0.000
695	A	695	VAL	0	0.006	-0.008	27.707	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	696	SER	0	-0.041	-0.035	31.008	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	697	PHE	0	-0.001	-0.014	30.900	0.001	0.001	0.000	0.000	0.000	0.000
698	A	698	ASP	-1	-0.847	-0.929	34.447	0.033	0.033	0.000	0.000	0.000	0.000
699	A	699	ASP	-1	-0.905	-0.928	33.065	0.039	0.039	0.000	0.000	0.000	0.000
700	A	700	ASP	-1	-0.849	-0.946	35.101	0.027	0.027	0.000	0.000	0.000	0.000
701	A	701	LEU	0	-0.004	0.011	27.772	0.001	0.001	0.000	0.000	0.000	0.000
702	A	702	MET	0	-0.015	-0.028	29.541	0.003	0.003	0.000	0.000	0.000	0.000
703	A	703	ARG	1	0.938	0.979	32.776	-0.027	-0.027	0.000	0.000	0.000	0.000
704	A	704	LEU	0	-0.047	-0.005	35.487	0.000	0.000	0.000	0.000	0.000	0.000
705	A	705	PHE	0	0.005	-0.008	31.404	0.001	0.001	0.000	0.000	0.000	0.000
706	A	706	ALA	0	0.003	0.022	30.957	0.004	0.004	0.000	0.000	0.000	0.000
707	A	707	SER	0	-0.046	-0.028	31.416	-0.001	-0.001	0.000	0.000	0.000	0.000
708	A	708	ASP	-1	-0.764	-0.889	33.166	0.039	0.039	0.000	0.000	0.000	0.000
709	A	709	ARG	1	0.900	0.957	29.239	-0.061	-0.061	0.000	0.000	0.000	0.000
710	A	710	VAL	0	-0.082	-0.060	29.890	0.002	0.002	0.000	0.000	0.000	0.000
711	A	711	ILE	0	0.040	0.033	32.888	0.001	0.001	0.000	0.000	0.000	0.000
712	A	712	ALA	0	0.032	0.032	35.462	-0.002	-0.002	0.000	0.000	0.000	0.000
713	A	713	MET	0	-0.099	-0.073	33.186	0.001	0.001	0.000	0.000	0.000	0.000
714	A	714	LEU	0	0.002	-0.003	30.463	0.002	0.002	0.000	0.000	0.000	0.000
715	A	715	ASP	-1	-0.888	-0.931	34.159	0.042	0.042	0.000	0.000	0.000	0.000
716	A	716	ARG	1	0.933	0.961	37.751	-0.042	-0.042	0.000	0.000	0.000	0.000
717	A	717	MET	0	-0.095	-0.029	31.420	0.002	0.002	0.000	0.000	0.000	0.000
718	A	718	GLY	0	-0.025	-0.002	36.062	0.001	0.001	0.000	0.000	0.000	0.000
719	A	719	PHE	0	0.000	-0.021	30.897	0.002	0.002	0.000	0.000	0.000	0.000
720	A	720	ASP	-1	-0.896	-0.956	36.404	0.045	0.045	0.000	0.000	0.000	0.000
721	A	721	ASP	-1	-0.937	-0.979	37.227	0.036	0.036	0.000	0.000	0.000	0.000
722	A	722	SER	0	-0.080	-0.037	38.872	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	723	GLU	-1	-0.931	-0.974	35.264	0.042	0.042	0.000	0.000	0.000	0.000
724	A	724	PRO	0	-0.046	-0.019	30.721	0.001	0.001	0.000	0.000	0.000	0.000
725	A	725	ILE	0	0.002	0.017	29.659	0.001	0.001	0.000	0.000	0.000	0.000
726	A	726	GLU	-1	-0.936	-0.961	25.648	0.097	0.097	0.000	0.000	0.000	0.000
727	A	727	HIS	0	0.063	0.006	26.551	0.004	0.004	0.000	0.000	0.000	0.000
728	A	728	PRO	0	0.020	0.011	22.873	0.001	0.001	0.000	0.000	0.000	0.000
729	A	729	MET	0	-0.044	-0.014	24.146	0.000	0.000	0.000	0.000	0.000	0.000
730	A	730	VAL	0	0.060	0.034	26.648	-0.003	-0.003	0.000	0.000	0.000	0.000
731	A	731	THR	0	0.033	0.018	21.376	-0.003	-0.003	0.000	0.000	0.000	0.000
732	A	732	ARG	1	0.906	0.952	20.608	-0.113	-0.113	0.000	0.000	0.000	0.000
733	A	733	SER	0	-0.030	-0.041	23.258	-0.003	-0.003	0.000	0.000	0.000	0.000
734	A	734	ILE	0	0.071	0.039	24.563	-0.003	-0.003	0.000	0.000	0.000	0.000
735	A	735	GLU	-1	-0.815	-0.908	19.774	0.103	0.103	0.000	0.000	0.000	0.000
736	A	736	ARG	1	0.836	0.918	21.421	-0.093	-0.093	0.000	0.000	0.000	0.000
737	A	737	ALA	0	-0.001	0.009	24.061	-0.004	-0.004	0.000	0.000	0.000	0.000
738	A	738	GLN	0	0.007	-0.009	23.999	0.002	0.002	0.000	0.000	0.000	0.000
739	A	739	LYS	1	0.978	0.988	19.146	-0.087	-0.087	0.000	0.000	0.000	0.000
740	A	740	ARG	1	0.892	0.956	24.523	-0.059	-0.059	0.000	0.000	0.000	0.000
741	A	741	VAL	0	0.007	0.011	27.753	-0.003	-0.003	0.000	0.000	0.000	0.000
742	A	742	GLU	-1	-0.802	-0.879	22.963	0.055	0.055	0.000	0.000	0.000	0.000
743	A	743	ASP	-1	-0.882	-0.955	24.821	0.051	0.051	0.000	0.000	0.000	0.000
744	A	744	ARG	1	0.890	0.957	27.406	-0.039	-0.039	0.000	0.000	0.000	0.000
745	A	745	ASN	0	-0.017	-0.025	30.152	-0.005	-0.005	0.000	0.000	0.000	0.000
746	A	746	PHE	0	-0.034	0.004	26.618	-0.003	-0.003	0.000	0.000	0.000	0.000
747	A	747	ALA	0	-0.002	-0.009	29.610	-0.003	-0.003	0.000	0.000	0.000	0.000
748	A	748	ILE	0	-0.039	-0.027	32.071	-0.002	-0.002	0.000	0.000	0.000	0.000
749	A	749	ARG	1	0.901	0.952	27.643	-0.021	-0.021	0.000	0.000	0.000	0.000
750	A	750	LYS	1	0.916	0.967	29.936	-0.027	-0.027	0.000	0.000	0.000	0.000
751	A	751	GLN	0	0.004	-0.015	33.367	-0.002	-0.002	0.000	0.000	0.000	0.000
752	A	752	LEU	0	-0.012	0.025	36.806	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	753	LEU	0	0.002	-0.003	33.613	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	754	GLN	0	-0.020	0.001	36.399	0.000	0.000	0.000	0.000	0.000	0.000
755	A	755	PHE	0	0.012	-0.012	38.216	-0.001	-0.001	0.000	0.000	0.000	0.000
756	A	756	ASP	-1	-0.810	-0.919	40.638	0.002	0.002	0.000	0.000	0.000	0.000
757	A	757	ASP	-1	-0.840	-0.919	37.136	0.003	0.003	0.000	0.000	0.000	0.000
758	A	758	VAL	0	-0.107	-0.041	40.474	-0.001	-0.001	0.000	0.000	0.000	0.000
759	A	759	LEU	0	0.042	0.008	43.520	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	760	SER	0	-0.038	0.006	41.389	-0.001	-0.001	0.000	0.000	0.000	0.000
761	A	761	ARG	1	0.982	0.980	39.387	-0.005	-0.005	0.000	0.000	0.000	0.000
762	A	762	GLN	0	0.020	0.010	45.514	0.000	0.000	0.000	0.000	0.000	0.000
763	A	763	ARG	1	0.771	0.880	42.032	0.000	0.000	0.000	0.000	0.000	0.000
764	A	764	GLU	-1	-0.953	-0.973	44.764	-0.003	-0.003	0.000	0.000	0.000	0.000
765	A	765	VAL	0	0.016	0.011	47.588	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	766	ILE	0	0.053	0.024	50.942	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	767	TYR	0	-0.018	-0.009	48.420	0.000	0.000	0.000	0.000	0.000	0.000
768	A	768	ALA	0	-0.020	-0.010	50.435	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	769	GLN	0	-0.017	-0.009	52.375	0.000	0.000	0.000	0.000	0.000	0.000
770	A	770	ARG	1	0.874	0.923	55.107	0.004	0.004	0.000	0.000	0.000	0.000
771	A	771	ARG	1	0.973	0.968	47.727	0.009	0.009	0.000	0.000	0.000	0.000
772	A	772	LEU	0	0.013	0.033	55.620	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	773	ILE	0	0.024	0.003	57.182	0.000	0.000	0.000	0.000	0.000	0.000
774	A	774	LEU	0	-0.029	-0.025	57.941	0.000	0.000	0.000	0.000	0.000	0.000
775	A	775	LEU	0	-0.102	-0.037	54.367	0.000	0.000	0.000	0.000	0.000	0.000
776	A	776	GLY	0	-0.032	-0.063	58.222	0.000	0.000	0.000	0.000	0.000	0.000
777	A	777	LYS	1	0.985	1.008	57.689	0.011	0.011	0.000	0.000	0.000	0.000
778	A	778	ASP	-1	-0.892	-0.982	61.348	-0.008	-0.008	0.000	0.000	0.000	0.000
779	A	779	GLU	-1	-0.935	-0.955	62.573	-0.007	-0.007	0.000	0.000	0.000	0.000
780	A	780	GLU	-1	-0.868	-0.969	57.143	-0.009	-0.009	0.000	0.000	0.000	0.000
781	A	781	VAL	0	-0.145	-0.052	61.556	0.000	0.000	0.000	0.000	0.000	0.000
782	A	782	LYS	1	0.883	0.901	63.536	0.006	0.006	0.000	0.000	0.000	0.000
783	A	783	GLU	-1	-0.929	-0.948	62.777	-0.005	-0.005	0.000	0.000	0.000	0.000
784	A	784	ALA	0	-0.016	-0.015	60.895	0.001	0.001	0.000	0.000	0.000	0.000
785	A	785	ALA	0	-0.042	-0.018	62.734	0.001	0.001	0.000	0.000	0.000	0.000
786	A	786	ILE	0	0.019	0.004	65.750	0.001	0.001	0.000	0.000	0.000	0.000
787	A	787	GLY	0	0.074	0.044	63.729	0.000	0.000	0.000	0.000	0.000	0.000
788	A	788	MET	0	-0.063	-0.020	62.858	0.001	0.001	0.000	0.000	0.000	0.000
789	A	789	VAL	0	-0.033	0.009	65.130	0.001	0.001	0.000	0.000	0.000	0.000
790	A	790	GLU	-1	-0.931	-0.966	65.849	-0.002	-0.002	0.000	0.000	0.000	0.000
791	A	791	GLU	-1	-0.847	-0.921	61.265	0.000	0.000	0.000	0.000	0.000	0.000
792	A	792	THR	0	-0.081	-0.048	65.648	0.001	0.001	0.000	0.000	0.000	0.000
793	A	793	VAL	0	0.006	-0.006	67.717	0.000	0.000	0.000	0.000	0.000	0.000
794	A	794	ALA	0	0.029	0.018	67.338	0.000	0.000	0.000	0.000	0.000	0.000
795	A	795	SER	0	0.027	0.004	65.457	0.000	0.000	0.000	0.000	0.000	0.000
796	A	796	LEU	0	-0.126	-0.042	67.875	0.000	0.000	0.000	0.000	0.000	0.000
797	A	797	ALA	0	0.000	-0.012	70.724	0.000	0.000	0.000	0.000	0.000	0.000
798	A	798	GLU	-1	-0.892	-0.967	67.576	0.003	0.003	0.000	0.000	0.000	0.000
799	A	799	ASN	0	-0.061	-0.009	68.837	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	PHE	0	-0.008	-0.022	70.603	0.000	0.000	0.000	0.000	0.000	0.000
801	A	801	LEU	0	-0.012	0.005	73.752	0.000	0.000	0.000	0.000	0.000	0.000
802	A	802	ASN	0	-0.033	-0.037	69.330	0.000	0.000	0.000	0.000	0.000	0.000
803	A	803	PRO	0	-0.050	-0.004	72.193	0.000	0.000	0.000	0.000	0.000	0.000
804	A	804	GLU	-1	-0.931	-0.972	71.428	0.003	0.003	0.000	0.000	0.000	0.000
805	A	805	VAL	0	-0.105	-0.032	74.674	0.000	0.000	0.000	0.000	0.000	0.000
806	A	806	HIS	0	-0.005	-0.052	76.738	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	PRO	0	-0.063	-0.026	79.602	0.000	0.000	0.000	0.000	0.000	0.000
808	A	808	GLU	-1	-1.018	-1.006	81.963	0.003	0.003	0.000	0.000	0.000	0.000
809	A	809	ASP	-1	-0.850	-0.930	78.952	0.003	0.003	0.000	0.000	0.000	0.000
810	A	810	TRP	0	0.021	0.019	75.384	0.000	0.000	0.000	0.000	0.000	0.000
811	A	811	ASP	-1	-0.859	-0.926	79.716	0.002	0.002	0.000	0.000	0.000	0.000
812	A	812	LEU	0	0.011	-0.006	81.559	0.000	0.000	0.000	0.000	0.000	0.000
813	A	813	GLU	-1	-0.874	-0.963	78.234	0.002	0.002	0.000	0.000	0.000	0.000
814	A	814	GLY	0	0.018	0.009	77.162	0.000	0.000	0.000	0.000	0.000	0.000
815	A	815	LEU	0	-0.062	-0.009	78.185	0.000	0.000	0.000	0.000	0.000	0.000
816	A	816	LYS	1	0.852	0.918	80.207	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	817	ALA	0	0.014	0.008	74.787	0.000	0.000	0.000	0.000	0.000	0.000
818	A	818	THR	0	0.060	0.022	75.628	0.000	0.000	0.000	0.000	0.000	0.000
819	A	819	LEU	0	-0.038	-0.009	76.722	0.000	0.000	0.000	0.000	0.000	0.000
820	A	820	LEU	0	-0.134	-0.047	75.062	0.000	0.000	0.000	0.000	0.000	0.000
821	A	821	ASP	-1	-0.790	-0.921	71.933	0.001	0.001	0.000	0.000	0.000	0.000
822	A	822	THR	0	0.034	0.000	74.529	0.000	0.000	0.000	0.000	0.000	0.000
823	A	823	ALA	0	-0.052	-0.026	77.092	0.000	0.000	0.000	0.000	0.000	0.000
824	A	824	PRO	0	-0.048	-0.012	79.051	0.000	0.000	0.000	0.000	0.000	0.000
825	A	825	GLN	0	-0.044	-0.024	81.690	0.000	0.000	0.000	0.000	0.000	0.000
826	A	826	LEU	0	0.019	-0.002	80.982	0.000	0.000	0.000	0.000	0.000	0.000
827	A	827	GLN	0	0.030	-0.023	84.135	0.000	0.000	0.000	0.000	0.000	0.000
828	A	828	ASP	-1	-0.861	-0.900	86.589	0.000	0.000	0.000	0.000	0.000	0.000
829	A	829	PHE	0	-0.056	-0.037	86.588	0.000	0.000	0.000	0.000	0.000	0.000
830	A	830	PRO	0	0.032	0.033	82.455	0.000	0.000	0.000	0.000	0.000	0.000
831	A	831	PHE	0	0.029	0.015	83.781	0.000	0.000	0.000	0.000	0.000	0.000
832	A	832	ALA	0	-0.031	-0.009	85.573	0.000	0.000	0.000	0.000	0.000	0.000
833	A	833	GLU	-1	-0.898	-0.972	81.567	0.000	0.000	0.000	0.000	0.000	0.000
834	A	834	LEU	0	0.035	0.016	78.679	0.000	0.000	0.000	0.000	0.000	0.000
835	A	835	ARG	1	0.889	0.968	81.250	-0.002	-0.002	0.000	0.000	0.000	0.000
836	A	836	ALA	0	-0.055	-0.029	83.728	0.000	0.000	0.000	0.000	0.000	0.000
837	A	837	LEU	0	-0.105	-0.034	79.480	0.000	0.000	0.000	0.000	0.000	0.000
838	A	838	LYS	1	0.932	0.943	74.809	-0.002	-0.002	0.000	0.000	0.000	0.000
839	A	839	ALA	0	0.055	0.057	73.062	0.000	0.000	0.000	0.000	0.000	0.000
840	A	840	GLU	-1	-0.950	-0.960	72.578	0.000	0.000	0.000	0.000	0.000	0.000
841	A	841	GLU	-1	-0.911	-0.948	73.585	-0.001	-0.001	0.000	0.000	0.000	0.000
842	A	842	ALA	0	0.000	-0.007	75.034	0.000	0.000	0.000	0.000	0.000	0.000
843	A	843	VAL	0	-0.015	-0.027	69.648	0.000	0.000	0.000	0.000	0.000	0.000
844	A	844	GLU	-1	-0.899	-0.954	69.673	-0.001	-0.001	0.000	0.000	0.000	0.000
845	A	845	ARG	1	0.968	1.005	73.335	0.001	0.001	0.000	0.000	0.000	0.000
846	A	846	LEU	0	-0.084	-0.041	74.431	0.000	0.000	0.000	0.000	0.000	0.000
847	A	847	VAL	0	0.054	0.033	70.495	0.000	0.000	0.000	0.000	0.000	0.000
848	A	848	GLU	-1	-0.879	-0.949	73.355	-0.002	-0.002	0.000	0.000	0.000	0.000
849	A	849	ALA	0	-0.087	-0.042	75.819	0.000	0.000	0.000	0.000	0.000	0.000
850	A	850	ALA	0	-0.006	-0.009	73.968	0.000	0.000	0.000	0.000	0.000	0.000
851	A	851	LEU	0	0.006	0.002	71.480	0.000	0.000	0.000	0.000	0.000	0.000
852	A	852	LYS	1	0.952	0.992	75.177	0.003	0.003	0.000	0.000	0.000	0.000
853	A	853	ALA	0	-0.022	-0.007	78.124	0.000	0.000	0.000	0.000	0.000	0.000
854	A	854	TYR	0	0.036	0.002	70.520	0.000	0.000	0.000	0.000	0.000	0.000
855	A	855	GLU	-1	-0.854	-0.939	75.994	-0.004	-0.004	0.000	0.000	0.000	0.000
856	A	856	ALA	0	-0.030	-0.012	77.722	0.000	0.000	0.000	0.000	0.000	0.000
857	A	857	ARG	1	0.875	0.909	76.837	0.003	0.003	0.000	0.000	0.000	0.000
858	A	858	GLU	-1	-0.958	-0.994	73.919	-0.005	-0.005	0.000	0.000	0.000	0.000
859	A	859	ALA	0	-0.034	-0.028	77.660	0.000	0.000	0.000	0.000	0.000	0.000
860	A	860	GLU	-1	-1.026	-0.981	80.755	-0.003	-0.003	0.000	0.000	0.000	0.000
861	A	861	LEU	0	-0.032	-0.006	76.125	0.000	0.000	0.000	0.000	0.000	0.000
862	A	862	SER	0	0.008	-0.012	77.965	0.000	0.000	0.000	0.000	0.000	0.000
863	A	863	PRO	0	0.124	0.068	74.371	0.000	0.000	0.000	0.000	0.000	0.000
864	A	864	PRO	0	-0.098	-0.059	72.516	0.000	0.000	0.000	0.000	0.000	0.000
865	A	865	LEU	0	0.056	0.019	72.321	0.000	0.000	0.000	0.000	0.000	0.000
866	A	866	MET	0	-0.001	0.060	72.886	0.000	0.000	0.000	0.000	0.000	0.000
867	A	867	ARG	1	0.906	0.950	68.332	0.007	0.007	0.000	0.000	0.000	0.000
868	A	868	ALA	0	-0.028	-0.005	68.702	0.000	0.000	0.000	0.000	0.000	0.000
869	A	869	VAL	0	0.016	0.006	69.719	0.000	0.000	0.000	0.000	0.000	0.000
870	A	870	GLU	-1	-0.717	-0.873	66.999	-0.005	-0.005	0.000	0.000	0.000	0.000
871	A	871	ARG	1	0.892	1.000	64.116	0.008	0.008	0.000	0.000	0.000	0.000
872	A	872	PHE	0	-0.013	-0.006	65.223	0.000	0.000	0.000	0.000	0.000	0.000
873	A	873	VAL	0	0.052	-0.010	66.986	0.000	0.000	0.000	0.000	0.000	0.000
874	A	874	ILE	0	-0.021	-0.025	61.907	0.000	0.000	0.000	0.000	0.000	0.000
875	A	875	LEU	0	-0.060	-0.028	59.923	0.000	0.000	0.000	0.000	0.000	0.000
876	A	876	ASN	0	-0.013	0.006	62.229	0.001	0.001	0.000	0.000	0.000	0.000
877	A	877	VAL	0	0.052	0.038	63.326	0.000	0.000	0.000	0.000	0.000	0.000
878	A	878	VAL	0	0.015	-0.012	57.819	0.000	0.000	0.000	0.000	0.000	0.000
879	A	879	ASP	-1	-0.891	-0.929	58.510	-0.002	-0.002	0.000	0.000	0.000	0.000
880	A	880	ASN	0	-0.023	0.007	59.562	0.001	0.001	0.000	0.000	0.000	0.000
881	A	881	ALA	0	0.052	0.021	60.242	0.001	0.001	0.000	0.000	0.000	0.000
882	A	882	TRP	0	-0.037	-0.037	50.505	0.001	0.001	0.000	0.000	0.000	0.000
883	A	883	LYS	1	0.937	0.968	56.050	0.002	0.002	0.000	0.000	0.000	0.000
884	A	884	GLU	-1	-0.759	-0.886	57.179	0.003	0.003	0.000	0.000	0.000	0.000
885	A	885	HIS	0	-0.076	-0.029	51.712	0.001	0.001	0.000	0.000	0.000	0.000
886	A	886	LEU	0	-0.069	-0.041	50.861	0.001	0.001	0.000	0.000	0.000	0.000
887	A	887	HIS	0	0.016	0.007	52.821	0.001	0.001	0.000	0.000	0.000	0.000
888	A	888	ASN	0	0.001	-0.012	54.606	0.001	0.001	0.000	0.000	0.000	0.000
889	A	889	LEU	0	-0.028	-0.010	49.521	0.001	0.001	0.000	0.000	0.000	0.000
890	A	890	ASP	-1	-0.829	-0.836	50.116	0.006	0.006	0.000	0.000	0.000	0.000
891	A	891	VAL	0	-0.045	-0.044	50.977	0.001	0.001	0.000	0.000	0.000	0.000
892	A	892	LEU	0	0.020	0.007	50.545	0.001	0.001	0.000	0.000	0.000	0.000
893	A	893	ARG	1	0.863	0.945	45.874	-0.006	-0.006	0.000	0.000	0.000	0.000
894	A	894	GLN	0	-0.072	-0.044	48.016	0.002	0.002	0.000	0.000	0.000	0.000
895	A	895	GLY	0	0.074	0.033	49.655	0.000	0.000	0.000	0.000	0.000	0.000
896	A	896	ILE	0	-0.057	-0.036	48.151	0.001	0.001	0.000	0.000	0.000	0.000
897	A	897	PHE	0	-0.057	-0.004	45.750	0.001	0.001	0.000	0.000	0.000	0.000
898	A	898	LEU	0	-0.031	-0.005	46.821	0.001	0.001	0.000	0.000	0.000	0.000
899	A	899	ARG	1	0.918	0.953	47.121	-0.019	-0.019	0.000	0.000	0.000	0.000
900	A	900	GLY	0	0.064	0.044	48.154	0.000	0.000	0.000	0.000	0.000	0.000
901	A	901	TYR	0	-0.022	-0.030	48.999	0.001	0.001	0.000	0.000	0.000	0.000
902	A	902	GLY	0	-0.021	-0.026	46.349	0.000	0.000	0.000	0.000	0.000	0.000
903	A	903	GLN	0	-0.029	-0.014	42.539	-0.001	-0.001	0.000	0.000	0.000	0.000
904	A	904	LYS	1	0.932	0.987	42.547	-0.016	-0.016	0.000	0.000	0.000	0.000
905	A	905	ASP	-1	-0.800	-0.891	40.464	0.019	0.019	0.000	0.000	0.000	0.000
906	A	906	PRO	0	0.080	0.026	41.964	-0.001	-0.001	0.000	0.000	0.000	0.000
907	A	907	PHE	0	-0.015	-0.003	40.497	-0.001	-0.001	0.000	0.000	0.000	0.000
908	A	908	GLN	0	-0.028	-0.014	42.234	-0.002	-0.002	0.000	0.000	0.000	0.000
909	A	909	GLU	-1	-0.876	-0.949	44.187	0.013	0.013	0.000	0.000	0.000	0.000
910	A	910	TYR	0	0.039	0.025	44.714	-0.001	-0.001	0.000	0.000	0.000	0.000
911	A	911	LYS	1	0.934	0.962	40.957	-0.014	-0.014	0.000	0.000	0.000	0.000
912	A	912	ILE	0	-0.044	-0.026	46.011	-0.001	-0.001	0.000	0.000	0.000	0.000
913	A	913	GLU	-1	-0.833	-0.911	48.880	0.008	0.008	0.000	0.000	0.000	0.000
914	A	914	ALA	0	-0.028	-0.004	48.117	-0.001	-0.001	0.000	0.000	0.000	0.000
915	A	915	THR	0	-0.055	-0.055	48.183	-0.001	-0.001	0.000	0.000	0.000	0.000
916	A	916	ARG	1	0.879	0.956	50.441	-0.008	-0.008	0.000	0.000	0.000	0.000
917	A	917	LEU	0	0.062	0.022	53.854	-0.001	-0.001	0.000	0.000	0.000	0.000
918	A	918	PHE	0	-0.007	0.010	51.801	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	919	ASN	0	0.026	0.008	52.814	-0.001	-0.001	0.000	0.000	0.000	0.000
920	A	920	GLU	-1	-0.930	-0.967	55.704	0.005	0.005	0.000	0.000	0.000	0.000
921	A	921	MET	0	-0.031	-0.020	55.403	-0.001	-0.001	0.000	0.000	0.000	0.000
922	A	922	VAL	0	-0.024	-0.016	55.479	-0.001	-0.001	0.000	0.000	0.000	0.000
923	A	923	ALA	0	-0.005	0.012	58.571	0.000	0.000	0.000	0.000	0.000	0.000
924	A	924	PHE	0	0.034	-0.001	61.559	0.000	0.000	0.000	0.000	0.000	0.000
925	A	925	ILE	0	0.007	0.012	58.471	0.000	0.000	0.000	0.000	0.000	0.000
926	A	926	LYS	1	0.850	0.909	58.350	0.001	0.001	0.000	0.000	0.000	0.000
927	A	927	SER	0	0.059	-0.009	63.647	0.000	0.000	0.000	0.000	0.000	0.000
928	A	928	GLU	-1	-0.859	-0.937	66.086	0.000	0.000	0.000	0.000	0.000	0.000
929	A	929	VAL	0	-0.020	-0.015	64.099	0.000	0.000	0.000	0.000	0.000	0.000
930	A	930	ALA	0	0.012	0.018	67.203	0.000	0.000	0.000	0.000	0.000	0.000
931	A	931	LYN	0	0.000	0.026	69.580	0.000	0.000	0.000	0.000	0.000	0.000
932	A	932	PHE	0	-0.047	-0.012	69.969	0.000	0.000	0.000	0.000	0.000	0.000
933	A	933	LEU	0	-0.041	0.001	68.220	0.000	0.000	0.000	0.000	0.000	0.000
934	A	934	PHE	0	-0.017	-0.007	72.355	0.000	0.000	0.000	0.000	0.000	0.000
935	A	935	ARG	1	0.774	0.921	75.277	0.000	0.000	0.000	0.000	0.000	0.000
936	A	936	LEU	0	0.042	0.044	72.962	0.000	0.000	0.000	0.000	0.000	0.000
937	A	937	LYS	1	0.917	0.956	76.561	0.001	0.001	0.000	0.000	0.000	0.000
938	A	938	VAL	0	0.032	0.008	76.387	0.000	0.000	0.000	0.000	0.000	0.000
939	A	939	GLU	-1	-0.952	-0.962	78.774	-0.002	-0.002	0.000	0.000	0.000	0.000

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