FMO DATABASE

FMODB ID: 53ZGZ

Calculation Name: 4I2Z-A-Xray318

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4I2Z

Chain ID: A

ChEMBL ID:

UniProt ID: Q18688

Base Structure: X-ray

Registration Date: 2021-09-07

Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 1.20200129

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	905
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-24362242.634947
FMO2-HF: Nuclear repulsion	24004992.016613
FMO2-HF: Total energy	-357250.618334
FMO2-MP2: Total energy	-358282.18579

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:4:ACE )

Summations of interaction energy for fragment #1(A:4:ACE )

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.
-0.314	0.536	-0.006	-0.386	-0.459	0

Interaction energy analysis for fragmet #1(A:4:ACE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.017 / q_NPA : -0.020

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].
3	A	6	GLN	0	0.069	0.045	3.847	0.680	1.530	-0.006	-0.386	-0.459
4	A	7	THR	0	-0.055	-0.017	7.150	0.097	0.097	0.000	0.000	0.000
5	A	8	ALA	0	0.109	0.033	9.566	0.080	0.080	0.000	0.000	0.000
6	A	9	GLU	-1	-0.927	-0.984	13.104	-0.183	-0.183	0.000	0.000	0.000
7	A	10	GLU	-1	-0.900	-0.945	9.134	-0.308	-0.308	0.000	0.000	0.000
8	A	11	ILE	0	0.030	0.059	11.925	0.049	0.049	0.000	0.000	0.000
9	A	12	ARG	1	0.903	0.934	13.456	0.206	0.206	0.000	0.000	0.000
10	A	13	ASP	-1	-0.944	-0.959	16.768	-0.124	-0.124	0.000	0.000	0.000
11	A	14	GLU	-1	-0.926	-0.962	12.618	-0.207	-0.207	0.000	0.000	0.000
12	A	15	GLY	0	0.038	0.017	16.565	0.016	0.016	0.000	0.000	0.000
13	A	16	ASN	0	-0.082	-0.046	19.347	0.012	0.012	0.000	0.000	0.000
14	A	17	ALA	0	-0.021	-0.010	19.781	0.015	0.015	0.000	0.000	0.000
15	A	18	ALA	0	0.100	0.053	20.322	0.010	0.010	0.000	0.000	0.000
16	A	19	VAL	0	-0.104	-0.055	22.164	0.009	0.009	0.000	0.000	0.000
17	A	20	LYS	1	0.861	0.928	23.955	0.065	0.065	0.000	0.000	0.000
18	A	21	ASP	-1	-0.884	-0.919	22.783	-0.036	-0.036	0.000	0.000	0.000
19	A	22	GLN	0	-0.127	-0.074	25.929	0.007	0.007	0.000	0.000	0.000
20	A	23	ASP	-1	-0.888	-0.928	24.226	-0.066	-0.066	0.000	0.000	0.000
21	A	24	TYR	0	0.017	-0.040	24.445	-0.008	-0.008	0.000	0.000	0.000
22	A	25	ILE	0	0.025	0.020	24.483	-0.009	-0.009	0.000	0.000	0.000
23	A	26	LYS	1	1.033	1.017	19.366	0.069	0.069	0.000	0.000	0.000
24	A	27	ALA	0	0.014	0.027	20.414	-0.020	-0.020	0.000	0.000	0.000
25	A	28	ASP	-1	-0.820	-0.892	21.366	-0.141	-0.141	0.000	0.000	0.000
26	A	29	GLU	-1	-0.902	-0.960	19.369	-0.154	-0.154	0.000	0.000	0.000
27	A	30	LEU	0	0.011	0.015	15.648	-0.024	-0.024	0.000	0.000	0.000
28	A	31	TYR	0	0.017	-0.029	17.192	-0.021	-0.021	0.000	0.000	0.000
29	A	32	THR	0	-0.045	-0.027	19.301	-0.008	-0.008	0.000	0.000	0.000
30	A	33	GLU	-1	-0.968	-0.993	12.885	-0.510	-0.510	0.000	0.000	0.000
31	A	34	ALA	0	0.003	-0.021	14.803	-0.052	-0.052	0.000	0.000	0.000
32	A	35	LEU	0	-0.061	-0.052	15.770	-0.019	-0.019	0.000	0.000	0.000
33	A	36	GLN	0	-0.074	-0.028	15.334	0.025	0.025	0.000	0.000	0.000
34	A	37	LEU	0	-0.015	0.002	10.573	-0.014	-0.014	0.000	0.000	0.000
35	A	38	THR	0	-0.105	-0.049	13.751	0.006	0.006	0.000	0.000	0.000
36	A	39	THR	0	-0.031	-0.030	16.387	0.028	0.028	0.000	0.000	0.000
37	A	40	ASP	-1	-1.064	-1.046	19.344	-0.162	-0.162	0.000	0.000	0.000
38	A	41	GLU	-1	-0.811	-0.911	17.258	-0.287	-0.287	0.000	0.000	0.000
39	A	42	ASP	-1	-0.771	-0.839	16.582	-0.301	-0.301	0.000	0.000	0.000
40	A	43	LYS	1	0.854	0.904	19.816	0.144	0.144	0.000	0.000	0.000
41	A	44	ALA	0	0.042	0.016	23.283	-0.002	-0.002	0.000	0.000	0.000
42	A	45	LEU	0	0.032	0.019	16.472	0.017	0.017	0.000	0.000	0.000
43	A	46	ARG	1	1.017	1.009	21.043	0.205	0.205	0.000	0.000	0.000
44	A	47	PRO	0	-0.027	-0.005	22.552	0.007	0.007	0.000	0.000	0.000
45	A	48	VAL	0	-0.054	-0.014	22.209	0.012	0.012	0.000	0.000	0.000
46	A	49	LEU	0	0.109	0.050	18.556	0.013	0.013	0.000	0.000	0.000
47	A	50	TYR	0	-0.106	-0.046	22.998	0.008	0.008	0.000	0.000	0.000
48	A	51	ARG	1	0.835	0.912	25.961	0.101	0.101	0.000	0.000	0.000
49	A	52	ASN	0	-0.073	-0.042	23.986	0.003	0.003	0.000	0.000	0.000
50	A	53	ARG	1	0.890	0.942	23.509	0.170	0.170	0.000	0.000	0.000
51	A	54	ALA	0	0.028	0.014	25.412	0.009	0.009	0.000	0.000	0.000
52	A	55	MET	0	-0.062	-0.045	28.307	0.008	0.008	0.000	0.000	0.000
53	A	56	ALA	0	0.023	0.021	25.912	0.007	0.007	0.000	0.000	0.000
54	A	57	ARG	1	0.808	0.901	26.314	0.128	0.128	0.000	0.000	0.000
55	A	58	LEU	0	-0.040	-0.016	29.689	0.006	0.006	0.000	0.000	0.000
56	A	59	LYS	1	0.898	0.950	30.534	0.057	0.057	0.000	0.000	0.000
57	A	60	ARG	1	0.811	0.928	26.346	0.098	0.098	0.000	0.000	0.000
58	A	61	ASP	-1	-0.898	-0.958	31.898	-0.053	-0.053	0.000	0.000	0.000
59	A	62	ASP	-1	-0.805	-0.870	30.180	-0.091	-0.091	0.000	0.000	0.000
60	A	63	PHE	0	0.067	0.004	32.875	-0.005	-0.005	0.000	0.000	0.000
61	A	64	GLU	-1	-0.820	-0.924	34.843	-0.070	-0.070	0.000	0.000	0.000
62	A	65	GLY	0	-0.019	-0.014	31.055	-0.004	-0.004	0.000	0.000	0.000
63	A	66	ALA	0	-0.028	-0.012	31.138	-0.005	-0.005	0.000	0.000	0.000
64	A	67	GLN	0	0.016	-0.014	32.243	0.000	0.000	0.000	0.000	0.000
65	A	68	SER	0	-0.010	-0.012	30.189	-0.001	-0.001	0.000	0.000	0.000
66	A	69	ASP	-1	-0.749	-0.888	27.382	-0.126	-0.126	0.000	0.000	0.000
67	A	70	CYS	0	-0.058	-0.006	29.856	-0.001	-0.001	0.000	0.000	0.000
68	A	71	THR	0	-0.077	-0.041	32.425	0.001	0.001	0.000	0.000	0.000
69	A	72	LYS	1	0.963	0.995	27.524	0.128	0.128	0.000	0.000	0.000
70	A	73	ALA	0	-0.009	-0.002	29.295	-0.005	-0.005	0.000	0.000	0.000
71	A	74	LEU	0	-0.100	-0.053	30.268	0.001	0.001	0.000	0.000	0.000
72	A	75	GLU	-1	-0.962	-0.957	31.214	-0.085	-0.085	0.000	0.000	0.000
73	A	76	PHE	0	-0.085	-0.026	27.351	-0.001	-0.001	0.000	0.000	0.000
74	A	77	ASP	-1	-0.851	-0.935	31.313	-0.064	-0.064	0.000	0.000	0.000
75	A	78	GLY	0	-0.007	-0.007	33.388	0.001	0.001	0.000	0.000	0.000
76	A	79	ALA	0	0.017	0.005	36.007	0.003	0.003	0.000	0.000	0.000
77	A	80	ASP	-1	-0.778	-0.904	30.674	-0.082	-0.082	0.000	0.000	0.000
78	A	81	VAL	0	0.059	0.031	34.091	-0.001	-0.001	0.000	0.000	0.000
79	A	82	LYS	1	0.891	0.940	30.884	0.060	0.060	0.000	0.000	0.000
80	A	83	ALA	0	-0.010	0.014	32.563	0.000	0.000	0.000	0.000	0.000
81	A	84	LEU	0	0.028	0.002	33.780	0.001	0.001	0.000	0.000	0.000
82	A	85	PHE	0	0.021	0.023	36.293	0.002	0.002	0.000	0.000	0.000
83	A	86	ARG	1	0.914	0.978	29.691	0.078	0.078	0.000	0.000	0.000
84	A	87	ARG	1	0.890	0.929	35.796	0.063	0.063	0.000	0.000	0.000
85	A	88	SER	0	-0.047	-0.049	36.898	0.002	0.002	0.000	0.000	0.000
86	A	89	LEU	0	0.021	0.004	37.612	0.002	0.002	0.000	0.000	0.000
87	A	90	ALA	0	-0.011	0.006	36.189	0.001	0.001	0.000	0.000	0.000
88	A	91	ARG	1	0.888	0.941	38.178	0.059	0.059	0.000	0.000	0.000
89	A	92	GLU	-1	-0.923	-0.979	41.230	-0.036	-0.036	0.000	0.000	0.000
90	A	93	GLN	0	0.003	0.015	39.437	0.003	0.003	0.000	0.000	0.000
91	A	94	LEU	0	-0.068	-0.005	38.479	0.001	0.001	0.000	0.000	0.000
92	A	95	GLY	0	0.034	0.018	42.443	0.001	0.001	0.000	0.000	0.000
93	A	96	ASN	0	-0.071	-0.040	44.003	0.002	0.002	0.000	0.000	0.000
94	A	97	VAL	0	0.093	0.013	45.592	-0.001	-0.001	0.000	0.000	0.000
95	A	98	GLY	0	0.007	0.002	47.380	0.001	0.001	0.000	0.000	0.000
96	A	99	PRO	0	-0.056	-0.027	44.538	0.000	0.000	0.000	0.000	0.000
97	A	100	ALA	0	0.048	0.040	43.355	-0.002	-0.002	0.000	0.000	0.000
98	A	101	PHE	0	0.048	0.016	44.070	-0.001	-0.001	0.000	0.000	0.000
99	A	102	GLN	0	-0.092	-0.066	46.019	0.000	0.000	0.000	0.000	0.000
100	A	103	ASP	-1	-0.754	-0.869	40.631	-0.055	-0.055	0.000	0.000	0.000
101	A	104	ALA	0	0.028	0.000	42.300	-0.001	-0.001	0.000	0.000	0.000
102	A	105	LYS	1	0.912	0.966	43.435	0.037	0.037	0.000	0.000	0.000
103	A	106	GLU	-1	-0.969	-1.013	42.462	-0.042	-0.042	0.000	0.000	0.000
104	A	107	ALA	0	0.068	0.061	40.706	-0.001	-0.001	0.000	0.000	0.000
105	A	108	LEU	0	0.059	0.036	41.858	0.000	0.000	0.000	0.000	0.000
106	A	109	ARG	1	0.870	0.937	44.181	0.040	0.040	0.000	0.000	0.000
107	A	110	LEU	0	-0.045	-0.022	39.584	0.001	0.001	0.000	0.000	0.000
108	A	111	SER	0	-0.086	-0.039	39.925	-0.001	-0.001	0.000	0.000	0.000
109	A	112	PRO	0	-0.035	-0.021	42.065	0.001	0.001	0.000	0.000	0.000
110	A	113	ASN	0	-0.016	-0.002	44.494	0.001	0.001	0.000	0.000	0.000
111	A	114	ASP	-1	-0.817	-0.929	39.473	-0.039	-0.039	0.000	0.000	0.000
112	A	115	LYS	1	0.940	0.957	42.851	0.022	0.022	0.000	0.000	0.000
113	A	116	GLY	0	0.059	0.054	40.723	0.000	0.000	0.000	0.000	0.000
114	A	117	ILE	0	0.010	0.007	40.254	0.000	0.000	0.000	0.000	0.000
115	A	118	VAL	0	0.000	-0.011	42.747	0.000	0.000	0.000	0.000	0.000
116	A	119	GLU	-1	-0.951	-0.963	44.197	-0.029	-0.029	0.000	0.000	0.000
117	A	120	VAL	0	-0.037	-0.007	41.722	0.000	0.000	0.000	0.000	0.000
118	A	121	LEU	0	-0.017	-0.008	45.034	0.001	0.001	0.000	0.000	0.000
119	A	122	GLN	0	-0.004	0.000	47.721	0.001	0.001	0.000	0.000	0.000
120	A	123	ARG	1	0.953	0.973	42.574	0.037	0.037	0.000	0.000	0.000
121	A	124	LEU	0	-0.010	-0.025	44.554	0.000	0.000	0.000	0.000	0.000
122	A	125	VAL	0	0.014	0.014	48.827	0.000	0.000	0.000	0.000	0.000
123	A	126	LYS	1	0.890	0.961	52.360	0.024	0.024	0.000	0.000	0.000
124	A	127	ALA	0	0.064	0.042	50.219	0.000	0.000	0.000	0.000	0.000
125	A	128	ASN	0	-0.014	-0.042	50.641	0.000	0.000	0.000	0.000	0.000
126	A	129	ASN	0	-0.028	-0.007	53.467	0.000	0.000	0.000	0.000	0.000
127	A	130	ASP	-1	-0.875	-0.935	55.620	-0.023	-0.023	0.000	0.000	0.000
128	A	131	LYS	1	0.886	0.942	51.964	0.032	0.032	0.000	0.000	0.000
129	A	132	ILE	0	0.004	0.012	55.001	0.000	0.000	0.000	0.000	0.000
130	A	133	LYS	1	0.951	0.962	57.580	0.022	0.022	0.000	0.000	0.000
131	A	134	GLN	0	0.048	0.049	54.119	0.002	0.002	0.000	0.000	0.000
132	A	135	THR	0	-0.021	-0.012	53.693	0.000	0.000	0.000	0.000	0.000
133	A	136	THR	0	-0.032	-0.028	56.164	0.000	0.000	0.000	0.000	0.000
134	A	137	SER	0	0.073	0.040	59.175	0.001	0.001	0.000	0.000	0.000
135	A	138	LEU	0	-0.013	0.009	52.916	0.001	0.001	0.000	0.000	0.000
136	A	139	ALA	0	-0.019	-0.009	57.602	0.000	0.000	0.000	0.000	0.000
137	A	140	ASN	0	0.019	0.001	58.494	0.000	0.000	0.000	0.000	0.000
138	A	141	LYS	1	1.005	1.015	56.383	0.025	0.025	0.000	0.000	0.000
139	A	142	VAL	0	-0.019	-0.030	55.583	0.000	0.000	0.000	0.000	0.000
140	A	143	THR	0	0.025	0.015	58.389	0.001	0.001	0.000	0.000	0.000
141	A	144	ASP	-1	-0.897	-0.944	61.304	-0.020	-0.020	0.000	0.000	0.000
142	A	145	MET	0	-0.062	-0.033	57.352	0.001	0.001	0.000	0.000	0.000
143	A	146	GLU	-1	-0.970	-0.986	58.474	-0.027	-0.027	0.000	0.000	0.000
144	A	147	LYS	1	0.882	0.939	60.429	0.022	0.022	0.000	0.000	0.000
145	A	148	LEU	0	-0.019	-0.005	63.961	0.000	0.000	0.000	0.000	0.000
146	A	149	ALA	0	0.004	0.005	59.595	0.000	0.000	0.000	0.000	0.000
147	A	150	PHE	0	0.050	0.015	55.590	0.000	0.000	0.000	0.000	0.000
148	A	151	ARG	1	0.925	0.979	61.332	0.025	0.025	0.000	0.000	0.000
149	A	152	GLY	0	-0.008	-0.025	64.274	0.001	0.001	0.000	0.000	0.000
150	A	153	GLU	-1	-0.959	-0.948	66.466	-0.019	-0.019	0.000	0.000	0.000
151	A	154	ALA	0	0.011	0.000	66.823	0.000	0.000	0.000	0.000	0.000
152	A	155	LYS	1	0.895	0.946	68.724	0.016	0.016	0.000	0.000	0.000
153	A	156	ASP	-1	-0.825	-0.933	69.834	-0.016	-0.016	0.000	0.000	0.000
154	A	157	THR	0	-0.015	-0.001	65.347	-0.001	-0.001	0.000	0.000	0.000
155	A	158	GLU	-1	-0.896	-0.948	64.910	-0.017	-0.017	0.000	0.000	0.000
156	A	159	GLN	0	-0.004	0.008	64.382	-0.001	-0.001	0.000	0.000	0.000
157	A	160	LYS	1	0.894	0.961	62.236	0.021	0.021	0.000	0.000	0.000
158	A	161	MET	0	-0.013	-0.003	57.981	-0.001	-0.001	0.000	0.000	0.000
159	A	162	THR	0	0.028	-0.004	59.762	-0.001	-0.001	0.000	0.000	0.000
160	A	163	ALA	0	-0.041	0.023	59.927	-0.001	-0.001	0.000	0.000	0.000
161	A	164	LEU	0	0.026	-0.002	56.237	-0.001	-0.001	0.000	0.000	0.000
162	A	165	ASN	0	-0.002	-0.004	55.835	-0.002	-0.002	0.000	0.000	0.000
163	A	166	ASN	0	0.017	0.008	55.318	-0.001	-0.001	0.000	0.000	0.000
164	A	167	LEU	0	-0.009	-0.009	54.979	-0.001	-0.001	0.000	0.000	0.000
165	A	168	LEU	0	-0.026	-0.004	49.738	-0.002	-0.002	0.000	0.000	0.000
166	A	169	VAL	0	-0.028	-0.022	50.946	-0.001	-0.001	0.000	0.000	0.000
167	A	170	LEU	0	-0.025	0.003	51.350	-0.001	-0.001	0.000	0.000	0.000
168	A	171	CYS	0	-0.102	-0.032	49.060	-0.002	-0.002	0.000	0.000	0.000
169	A	172	ARG	1	0.971	0.980	46.155	0.032	0.032	0.000	0.000	0.000
170	A	173	GLU	-1	-1.018	-0.977	46.730	-0.029	-0.029	0.000	0.000	0.000
171	A	174	SER	0	0.023	0.014	46.862	0.000	0.000	0.000	0.000	0.000
172	A	175	GLU	-1	-0.851	-0.933	41.229	-0.050	-0.050	0.000	0.000	0.000
173	A	176	SER	0	-0.054	-0.031	45.427	-0.001	-0.001	0.000	0.000	0.000
174	A	177	GLY	0	0.007	-0.020	48.685	0.001	0.001	0.000	0.000	0.000
175	A	178	ALA	0	0.103	0.056	46.186	0.000	0.000	0.000	0.000	0.000
176	A	179	THR	0	-0.091	-0.067	47.075	0.000	0.000	0.000	0.000	0.000
177	A	180	GLY	0	-0.043	-0.008	48.507	0.001	0.001	0.000	0.000	0.000
178	A	181	VAL	0	0.049	0.023	51.041	0.001	0.001	0.000	0.000	0.000
179	A	182	TRP	0	-0.018	-0.012	46.931	0.000	0.000	0.000	0.000	0.000
180	A	183	ASN	0	0.023	0.015	50.449	0.001	0.001	0.000	0.000	0.000
181	A	184	GLN	0	-0.064	-0.052	50.532	0.000	0.000	0.000	0.000	0.000
182	A	185	GLY	0	0.022	0.019	50.314	-0.001	-0.001	0.000	0.000	0.000
183	A	186	ALA	0	-0.049	-0.027	51.007	0.000	0.000	0.000	0.000	0.000
184	A	187	LEU	0	0.019	0.034	49.792	0.001	0.001	0.000	0.000	0.000
185	A	188	VAL	0	0.019	0.001	49.144	0.001	0.001	0.000	0.000	0.000
186	A	189	PRO	0	-0.003	0.007	51.869	0.001	0.001	0.000	0.000	0.000
187	A	190	PHE	0	0.021	-0.001	55.155	0.001	0.001	0.000	0.000	0.000
188	A	191	VAL	0	0.055	0.044	51.549	0.001	0.001	0.000	0.000	0.000
189	A	192	LEU	0	-0.016	-0.020	51.081	0.001	0.001	0.000	0.000	0.000
190	A	193	ASN	0	-0.124	-0.066	54.592	0.002	0.002	0.000	0.000	0.000
191	A	194	LEU	0	0.047	0.027	56.760	0.001	0.001	0.000	0.000	0.000
192	A	195	ILE	0	-0.050	-0.013	51.552	0.001	0.001	0.000	0.000	0.000
193	A	196	ASN	0	-0.024	-0.023	55.855	0.000	0.000	0.000	0.000	0.000
194	A	197	ASP	-1	-0.795	-0.836	58.195	-0.021	-0.021	0.000	0.000	0.000
195	A	198	ALA	0	-0.041	-0.041	60.857	0.000	0.000	0.000	0.000	0.000
196	A	199	SER	0	-0.102	-0.079	62.368	0.001	0.001	0.000	0.000	0.000
197	A	200	GLU	-1	-0.843	-0.918	60.615	-0.022	-0.022	0.000	0.000	0.000
198	A	201	ASN	0	0.053	0.019	60.076	-0.001	-0.001	0.000	0.000	0.000
199	A	202	GLU	-1	-0.781	-0.912	54.719	-0.025	-0.025	0.000	0.000	0.000
200	A	203	GLU	-1	-0.853	-0.942	56.150	-0.023	-0.023	0.000	0.000	0.000
201	A	204	VAL	0	0.006	0.029	56.437	-0.001	-0.001	0.000	0.000	0.000
202	A	205	THR	0	-0.043	-0.013	53.968	-0.001	-0.001	0.000	0.000	0.000
203	A	206	VAL	0	0.022	0.008	51.155	-0.002	-0.002	0.000	0.000	0.000
204	A	207	THR	0	-0.044	-0.059	51.705	-0.002	-0.002	0.000	0.000	0.000
205	A	208	ALA	0	0.029	0.003	52.280	-0.001	-0.001	0.000	0.000	0.000
206	A	209	ILE	0	-0.020	-0.012	48.217	-0.001	-0.001	0.000	0.000	0.000
207	A	210	ARG	1	0.949	0.964	47.873	0.028	0.028	0.000	0.000	0.000
208	A	211	ILE	0	0.004	0.006	47.997	-0.001	-0.001	0.000	0.000	0.000
209	A	212	LEU	0	-0.004	-0.019	47.370	-0.001	-0.001	0.000	0.000	0.000
210	A	213	ASP	-1	-0.888	-0.896	43.641	-0.046	-0.046	0.000	0.000	0.000
211	A	214	GLU	-1	-0.842	-0.940	43.764	-0.045	-0.045	0.000	0.000	0.000
212	A	215	THR	0	-0.061	-0.047	43.715	-0.002	-0.002	0.000	0.000	0.000
213	A	216	ILE	0	-0.037	-0.030	41.933	-0.002	-0.002	0.000	0.000	0.000
214	A	217	LYS	1	0.923	0.973	39.106	0.044	0.044	0.000	0.000	0.000
215	A	218	ASN	0	-0.006	0.008	38.130	-0.002	-0.002	0.000	0.000	0.000
216	A	219	SER	0	0.075	0.033	35.105	0.000	0.000	0.000	0.000	0.000
217	A	220	VAL	0	-0.017	-0.006	37.408	0.000	0.000	0.000	0.000	0.000
218	A	221	ARG	1	0.845	0.921	39.992	0.049	0.049	0.000	0.000	0.000
219	A	222	CYS	0	-0.024	0.005	38.801	0.002	0.002	0.000	0.000	0.000
220	A	223	MET	0	0.032	0.030	35.240	0.002	0.002	0.000	0.000	0.000
221	A	224	LYS	1	0.892	0.958	40.043	0.048	0.048	0.000	0.000	0.000
222	A	225	PHE	0	0.008	-0.011	43.341	0.003	0.003	0.000	0.000	0.000
223	A	226	LEU	0	0.002	-0.002	38.874	0.002	0.002	0.000	0.000	0.000
224	A	227	ALA	0	-0.002	-0.011	42.096	0.001	0.001	0.000	0.000	0.000
225	A	228	MET	0	-0.072	-0.024	43.960	0.001	0.001	0.000	0.000	0.000
226	A	229	HIS	0	-0.032	-0.017	46.719	0.004	0.004	0.000	0.000	0.000
227	A	230	ASP	-1	-0.848	-0.939	48.360	-0.039	-0.039	0.000	0.000	0.000
228	A	231	PRO	0	-0.053	-0.006	47.965	-0.002	-0.002	0.000	0.000	0.000
229	A	232	ASP	-1	-0.900	-0.966	46.271	-0.050	-0.050	0.000	0.000	0.000
230	A	233	GLY	0	0.037	0.006	42.738	0.000	0.000	0.000	0.000	0.000
231	A	234	PRO	0	-0.021	-0.012	42.097	-0.001	-0.001	0.000	0.000	0.000
232	A	235	LYS	1	0.981	0.995	43.095	0.041	0.041	0.000	0.000	0.000
233	A	236	SER	0	-0.012	-0.006	44.736	0.002	0.002	0.000	0.000	0.000
234	A	237	VAL	0	-0.008	-0.005	40.017	0.000	0.000	0.000	0.000	0.000
235	A	238	ARG	1	0.915	0.980	43.138	0.041	0.041	0.000	0.000	0.000
236	A	239	PHE	0	-0.041	-0.019	45.379	0.002	0.002	0.000	0.000	0.000
237	A	240	VAL	0	0.028	0.018	43.313	0.001	0.001	0.000	0.000	0.000
238	A	241	CYS	0	0.009	0.014	41.800	0.000	0.000	0.000	0.000	0.000
239	A	242	ARG	1	0.883	0.927	44.184	0.041	0.041	0.000	0.000	0.000
240	A	243	LEU	0	-0.001	0.007	47.568	0.003	0.003	0.000	0.000	0.000
241	A	244	MET	0	-0.015	-0.002	42.967	0.002	0.002	0.000	0.000	0.000
242	A	245	CYS	0	-0.070	-0.054	48.600	0.001	0.001	0.000	0.000	0.000
243	A	246	LYS	1	0.810	0.916	51.211	0.033	0.033	0.000	0.000	0.000
244	A	247	LYS	1	0.886	0.959	53.232	0.027	0.027	0.000	0.000	0.000
245	A	248	SER	0	0.013	-0.005	52.997	-0.001	-0.001	0.000	0.000	0.000
246	A	249	THR	0	-0.027	-0.002	53.553	0.000	0.000	0.000	0.000	0.000
247	A	250	LYS	1	0.965	0.982	46.565	0.029	0.029	0.000	0.000	0.000
248	A	251	ASP	-1	-0.846	-0.926	50.192	-0.027	-0.027	0.000	0.000	0.000
249	A	252	PHE	0	-0.027	-0.001	50.179	-0.001	-0.001	0.000	0.000	0.000
250	A	253	VAL	0	0.006	0.025	46.945	-0.002	-0.002	0.000	0.000	0.000
251	A	254	ASP	-1	-0.838	-0.927	45.800	-0.035	-0.035	0.000	0.000	0.000
252	A	255	ALA	0	-0.080	-0.047	45.427	-0.002	-0.002	0.000	0.000	0.000
253	A	256	THR	0	-0.021	-0.037	46.408	-0.001	-0.001	0.000	0.000	0.000
254	A	257	GLY	0	0.020	0.011	43.314	-0.002	-0.002	0.000	0.000	0.000
255	A	258	ILE	0	-0.014	-0.008	41.096	-0.004	-0.004	0.000	0.000	0.000
256	A	259	LEU	0	-0.004	0.016	40.914	-0.003	-0.003	0.000	0.000	0.000
257	A	260	VAL	0	0.030	-0.001	38.961	-0.003	-0.003	0.000	0.000	0.000
258	A	261	GLN	0	0.009	0.012	35.193	-0.007	-0.007	0.000	0.000	0.000
259	A	262	ARG	1	0.837	0.908	36.536	0.046	0.046	0.000	0.000	0.000
260	A	263	VAL	0	0.033	0.014	36.914	-0.004	-0.004	0.000	0.000	0.000
261	A	264	PHE	0	0.000	-0.001	33.252	-0.005	-0.005	0.000	0.000	0.000
262	A	265	ASN	0	-0.005	-0.013	32.757	-0.006	-0.006	0.000	0.000	0.000
263	A	266	ALA	0	-0.011	-0.010	32.589	-0.006	-0.006	0.000	0.000	0.000
264	A	267	MET	0	-0.063	-0.009	33.194	-0.003	-0.003	0.000	0.000	0.000
265	A	268	ALA	0	0.006	-0.013	28.020	-0.008	-0.008	0.000	0.000	0.000
266	A	269	LYS	1	0.841	0.914	28.360	0.096	0.096	0.000	0.000	0.000
267	A	270	MET	0	0.015	0.027	28.390	-0.008	-0.008	0.000	0.000	0.000
268	A	271	ASP	-1	-0.882	-0.958	29.835	-0.057	-0.057	0.000	0.000	0.000
269	A	272	ARG	1	0.960	0.991	29.953	0.068	0.068	0.000	0.000	0.000
270	A	273	GLN	0	-0.116	-0.058	31.342	0.002	0.002	0.000	0.000	0.000
271	A	274	LYS	1	0.939	0.966	31.839	0.068	0.068	0.000	0.000	0.000
272	A	275	GLU	-1	-0.934	-0.953	27.387	-0.066	-0.066	0.000	0.000	0.000
273	A	276	MET	0	-0.087	-0.023	26.915	-0.006	-0.006	0.000	0.000	0.000
274	A	277	LYS	1	1.014	0.992	19.028	0.181	0.181	0.000	0.000	0.000
275	A	278	PRO	0	0.010	0.003	23.909	0.001	0.001	0.000	0.000	0.000
276	A	279	ASP	-1	-0.835	-0.878	23.699	-0.173	-0.173	0.000	0.000	0.000
277	A	280	PRO	0	0.020	-0.013	20.318	0.011	0.011	0.000	0.000	0.000
278	A	281	GLU	-1	-0.782	-0.884	22.997	-0.160	-0.160	0.000	0.000	0.000
279	A	282	VAL	0	-0.069	-0.011	24.883	0.010	0.010	0.000	0.000	0.000
280	A	283	ALA	0	0.040	-0.006	26.041	0.006	0.006	0.000	0.000	0.000
281	A	284	GLU	-1	-0.963	-0.980	23.778	-0.152	-0.152	0.000	0.000	0.000
282	A	285	ALA	0	0.022	0.018	26.604	0.010	0.010	0.000	0.000	0.000
283	A	286	ASN	0	-0.079	-0.025	29.556	0.011	0.011	0.000	0.000	0.000
284	A	287	LYS	1	0.982	0.980	27.808	0.136	0.136	0.000	0.000	0.000
285	A	288	ILE	0	-0.073	-0.043	31.141	0.006	0.006	0.000	0.000	0.000
286	A	289	TRP	0	0.017	-0.008	34.399	0.007	0.007	0.000	0.000	0.000
287	A	290	ILE	0	0.092	0.051	30.335	0.005	0.005	0.000	0.000	0.000
288	A	291	ILE	0	-0.021	-0.020	31.649	0.004	0.004	0.000	0.000	0.000
289	A	292	ARG	1	0.917	0.973	34.064	0.070	0.070	0.000	0.000	0.000
290	A	293	VAL	0	0.041	0.032	36.155	0.004	0.004	0.000	0.000	0.000
291	A	294	LEU	0	0.016	0.015	31.116	0.003	0.003	0.000	0.000	0.000
292	A	295	LEU	0	-0.012	-0.011	35.755	0.004	0.004	0.000	0.000	0.000
293	A	296	GLU	-1	-0.864	-0.953	37.879	-0.044	-0.044	0.000	0.000	0.000
294	A	297	LEU	0	0.013	-0.017	37.686	0.004	0.004	0.000	0.000	0.000
295	A	298	GLN	0	-0.016	-0.003	36.014	-0.001	-0.001	0.000	0.000	0.000
296	A	299	GLU	-1	-0.949	-0.966	39.117	-0.041	-0.041	0.000	0.000	0.000
297	A	300	MET	0	-0.089	-0.050	42.271	0.003	0.003	0.000	0.000	0.000
298	A	301	LEU	0	0.035	0.012	38.200	0.002	0.002	0.000	0.000	0.000
299	A	302	GLN	0	-0.026	-0.004	42.285	0.003	0.003	0.000	0.000	0.000
300	A	303	ASP	-1	-0.812	-0.889	45.377	-0.031	-0.031	0.000	0.000	0.000
301	A	304	PRO	0	0.068	0.020	48.001	0.000	0.000	0.000	0.000	0.000
302	A	305	LYS	1	0.857	0.919	51.258	0.027	0.027	0.000	0.000	0.000
303	A	306	VAL	0	-0.056	-0.015	46.604	0.000	0.000	0.000	0.000	0.000
304	A	307	GLY	0	0.022	0.002	49.812	0.000	0.000	0.000	0.000	0.000
305	A	308	ALA	0	0.073	0.019	48.828	-0.001	-0.001	0.000	0.000	0.000
306	A	309	VAL	0	0.040	0.038	47.524	-0.001	-0.001	0.000	0.000	0.000
307	A	310	GLN	0	0.039	0.027	46.280	-0.001	-0.001	0.000	0.000	0.000
308	A	311	ARG	1	0.777	0.903	44.407	0.031	0.031	0.000	0.000	0.000
309	A	312	GLU	-1	-0.769	-0.913	43.093	-0.030	-0.030	0.000	0.000	0.000
310	A	313	THR	0	0.012	0.011	41.711	-0.002	-0.002	0.000	0.000	0.000
311	A	314	CYS	0	-0.065	-0.050	40.464	-0.003	-0.003	0.000	0.000	0.000
312	A	315	ILE	0	-0.013	0.018	37.922	-0.003	-0.003	0.000	0.000	0.000
313	A	316	ASP	-1	-0.811	-0.891	36.827	-0.044	-0.044	0.000	0.000	0.000
314	A	317	LEU	0	-0.074	-0.052	36.075	-0.004	-0.004	0.000	0.000	0.000
315	A	318	PHE	0	-0.022	-0.008	33.324	-0.006	-0.006	0.000	0.000	0.000
316	A	319	LEU	0	-0.006	-0.003	32.042	-0.006	-0.006	0.000	0.000	0.000
317	A	320	LYS	1	0.890	0.964	32.030	0.049	0.049	0.000	0.000	0.000
318	A	321	ASN	0	0.011	-0.021	30.609	-0.001	-0.001	0.000	0.000	0.000
319	A	322	LEU	0	-0.008	0.014	28.842	-0.007	-0.007	0.000	0.000	0.000
320	A	323	MET	0	0.015	0.004	26.876	-0.007	-0.007	0.000	0.000	0.000
321	A	324	HIS	0	0.070	0.081	19.731	-0.014	-0.014	0.000	0.000	0.000
322	A	325	MET	0	-0.148	-0.071	18.533	-0.018	-0.018	0.000	0.000	0.000
323	A	326	ASP	-1	-0.914	-0.961	22.841	-0.066	-0.066	0.000	0.000	0.000
324	A	327	GLY	0	-0.037	-0.022	25.078	0.006	0.006	0.000	0.000	0.000
325	A	328	GLY	0	-0.001	-0.001	26.548	0.003	0.003	0.000	0.000	0.000
326	A	329	ILE	0	-0.035	-0.034	25.775	-0.011	-0.011	0.000	0.000	0.000
327	A	330	PRO	0	0.007	0.028	22.344	-0.005	-0.005	0.000	0.000	0.000
328	A	331	ARG	1	0.965	0.924	14.544	0.277	0.277	0.000	0.000	0.000
329	A	332	GLY	0	-0.006	0.007	21.314	-0.014	-0.014	0.000	0.000	0.000
330	A	333	TRP	0	-0.018	-0.005	22.644	0.017	0.017	0.000	0.000	0.000
331	A	334	SER	0	0.041	0.010	24.676	0.005	0.005	0.000	0.000	0.000
332	A	335	TRP	0	0.011	-0.009	17.582	-0.002	-0.002	0.000	0.000	0.000
333	A	336	LYS	1	0.952	0.993	25.320	0.103	0.103	0.000	0.000	0.000
334	A	337	PHE	0	-0.013	0.025	27.774	0.008	0.008	0.000	0.000	0.000
335	A	338	VAL	0	0.006	-0.014	27.122	0.008	0.008	0.000	0.000	0.000
336	A	339	GLU	-1	-0.978	-0.986	24.422	-0.110	-0.110	0.000	0.000	0.000
337	A	340	GLU	-1	-0.916	-0.960	29.289	-0.079	-0.079	0.000	0.000	0.000
338	A	341	ARG	1	0.918	0.928	32.721	0.052	0.052	0.000	0.000	0.000
339	A	342	GLY	0	0.048	0.024	33.533	0.004	0.004	0.000	0.000	0.000
340	A	343	LEU	0	0.011	0.009	30.883	0.003	0.003	0.000	0.000	0.000
341	A	344	LEU	0	0.028	0.005	34.050	0.004	0.004	0.000	0.000	0.000
342	A	345	ALA	0	0.009	0.019	37.055	0.003	0.003	0.000	0.000	0.000
343	A	346	LEU	0	-0.007	-0.007	34.266	0.002	0.002	0.000	0.000	0.000
344	A	347	LEU	0	-0.022	-0.023	35.276	0.002	0.002	0.000	0.000	0.000
345	A	348	ASP	-1	-0.910	-0.955	38.647	-0.028	-0.028	0.000	0.000	0.000
346	A	349	VAL	0	-0.005	-0.008	41.242	0.002	0.002	0.000	0.000	0.000
347	A	350	ALA	0	-0.005	-0.008	39.738	0.002	0.002	0.000	0.000	0.000
348	A	351	SER	0	-0.073	-0.036	41.857	0.002	0.002	0.000	0.000	0.000
349	A	352	GLN	0	0.001	0.019	44.693	0.002	0.002	0.000	0.000	0.000
350	A	353	ILE	0	-0.023	0.001	47.357	0.000	0.000	0.000	0.000	0.000
351	A	354	PRO	0	-0.009	-0.008	49.788	0.000	0.000	0.000	0.000	0.000
352	A	355	GLU	-1	-0.866	-0.954	52.798	-0.017	-0.017	0.000	0.000	0.000
353	A	356	LEU	0	-0.045	-0.009	52.102	0.001	0.001	0.000	0.000	0.000
354	A	357	CYS	0	-0.056	-0.034	50.600	-0.001	-0.001	0.000	0.000	0.000
355	A	358	GLU	-1	-0.931	-0.965	48.435	-0.025	-0.025	0.000	0.000	0.000
356	A	359	TYR	0	-0.009	-0.016	44.740	-0.001	-0.001	0.000	0.000	0.000
357	A	360	PRO	0	-0.066	-0.011	49.796	0.000	0.000	0.000	0.000	0.000
358	A	361	VAL	0	0.052	0.022	47.432	-0.002	-0.002	0.000	0.000	0.000
359	A	362	SER	0	-0.073	-0.054	48.750	0.002	0.002	0.000	0.000	0.000
360	A	363	ALA	0	0.020	-0.002	48.656	0.000	0.000	0.000	0.000	0.000
361	A	364	GLU	-1	-0.856	-0.933	45.489	-0.027	-0.027	0.000	0.000	0.000
362	A	365	THR	0	-0.048	-0.013	44.577	-0.001	-0.001	0.000	0.000	0.000
363	A	366	ARG	1	0.985	1.014	42.433	0.020	0.020	0.000	0.000	0.000
364	A	367	GLN	0	0.045	0.018	41.003	-0.001	-0.001	0.000	0.000	0.000
365	A	368	HIS	1	0.818	0.852	39.322	0.032	0.032	0.000	0.000	0.000
366	A	369	VAL	0	0.028	0.018	38.390	-0.003	-0.003	0.000	0.000	0.000
367	A	370	ALA	0	-0.020	0.001	37.059	-0.002	-0.002	0.000	0.000	0.000
368	A	371	ILE	0	0.022	0.021	34.670	-0.002	-0.002	0.000	0.000	0.000
369	A	372	CYS	0	-0.035	0.002	33.113	-0.005	-0.005	0.000	0.000	0.000
370	A	373	LEU	0	0.030	0.007	32.357	-0.005	-0.005	0.000	0.000	0.000
371	A	374	GLN	0	-0.049	-0.020	30.773	-0.003	-0.003	0.000	0.000	0.000
372	A	375	ARG	0	0.097	0.066	27.648	0.004	0.004	0.000	0.000	0.000
373	A	376	LEU	0	-0.007	-0.009	27.597	-0.008	-0.008	0.000	0.000	0.000
374	A	377	GLU	-1	-0.946	-0.984	27.069	-0.054	-0.054	0.000	0.000	0.000
375	A	378	GLU	-1	-0.895	-0.955	25.040	-0.055	-0.055	0.000	0.000	0.000
376	A	379	ASP	-1	-0.856	-0.918	23.226	-0.129	-0.129	0.000	0.000	0.000
377	A	380	MET	0	-0.033	-0.014	23.038	-0.015	-0.015	0.000	0.000	0.000
378	A	381	VAL	0	-0.076	-0.047	17.613	-0.012	-0.012	0.000	0.000	0.000
379	A	382	PHE	0	0.014	0.015	13.706	0.003	0.003	0.000	0.000	0.000
380	A	383	ASP	-1	-0.833	-0.921	17.217	-0.031	-0.031	0.000	0.000	0.000
381	A	384	THR	0	-0.090	-0.054	17.870	0.002	0.002	0.000	0.000	0.000
382	A	385	LYS	1	0.989	0.990	20.291	0.145	0.145	0.000	0.000	0.000
383	A	386	ARG	1	0.996	1.009	20.922	0.061	0.061	0.000	0.000	0.000
384	A	387	THR	0	-0.024	0.007	22.976	0.011	0.011	0.000	0.000	0.000
385	A	388	ILE	0	0.007	-0.003	24.103	0.005	0.005	0.000	0.000	0.000
386	A	389	PHE	0	0.013	0.014	26.391	0.003	0.003	0.000	0.000	0.000
387	A	390	LYS	1	0.897	0.914	27.902	0.029	0.029	0.000	0.000	0.000
388	A	391	GLU	-1	-0.944	-0.973	28.211	-0.043	-0.043	0.000	0.000	0.000
389	A	392	LYS	1	0.916	0.964	30.607	0.064	0.064	0.000	0.000	0.000
390	A	393	VAL	0	-0.003	0.026	32.044	0.003	0.003	0.000	0.000	0.000
391	A	394	ASP	-1	-0.810	-0.910	33.415	-0.021	-0.021	0.000	0.000	0.000
392	A	395	MET	0	-0.061	-0.027	34.889	0.001	0.001	0.000	0.000	0.000
393	A	396	PHE	0	-0.033	-0.026	36.734	0.001	0.001	0.000	0.000	0.000
394	A	397	PHE	0	0.051	0.010	38.078	0.002	0.002	0.000	0.000	0.000
395	A	398	ASN	0	-0.009	-0.002	38.223	0.003	0.003	0.000	0.000	0.000
396	A	399	ALA	0	-0.016	-0.022	41.262	0.001	0.001	0.000	0.000	0.000
397	A	400	LEU	0	-0.068	-0.003	42.701	0.001	0.001	0.000	0.000	0.000
398	A	401	ILE	0	0.136	0.048	43.753	0.001	0.001	0.000	0.000	0.000
399	A	402	SER	0	-0.010	0.012	45.228	0.001	0.001	0.000	0.000	0.000
400	A	403	ARG	1	0.816	0.896	46.398	0.021	0.021	0.000	0.000	0.000
401	A	404	CYS	0	-0.088	-0.004	48.804	0.000	0.000	0.000	0.000	0.000
402	A	405	THR	0	-0.060	-0.093	51.109	0.001	0.001	0.000	0.000	0.000
403	A	406	ASN	0	-0.020	-0.027	54.477	0.000	0.000	0.000	0.000	0.000
404	A	407	ASP	-1	-0.755	-0.819	57.402	-0.012	-0.012	0.000	0.000	0.000
405	A	408	ASP	-1	-0.889	-0.971	57.833	-0.012	-0.012	0.000	0.000	0.000
406	A	409	GLU	-1	-0.959	-0.972	55.242	-0.018	-0.018	0.000	0.000	0.000
407	A	410	GLY	0	0.088	0.038	53.995	-0.001	-0.001	0.000	0.000	0.000
408	A	411	HIS	0	0.003	-0.003	53.447	0.000	0.000	0.000	0.000	0.000
409	A	412	LYS	1	1.001	1.004	53.326	0.017	0.017	0.000	0.000	0.000
410	A	413	TYR	0	-0.020	-0.018	48.378	-0.002	-0.002	0.000	0.000	0.000
411	A	414	ARG	1	0.880	0.939	48.744	0.011	0.011	0.000	0.000	0.000
412	A	415	ILE	0	0.036	0.015	49.277	0.000	0.000	0.000	0.000	0.000
413	A	416	LYS	1	0.891	0.948	46.513	0.024	0.024	0.000	0.000	0.000
414	A	417	LEU	0	-0.027	-0.019	43.157	-0.001	-0.001	0.000	0.000	0.000
415	A	418	SER	0	0.057	0.045	44.654	0.000	0.000	0.000	0.000	0.000
416	A	419	CYS	0	-0.012	-0.036	44.900	0.000	0.000	0.000	0.000	0.000
417	A	420	PHE	0	0.015	-0.005	37.566	-0.001	-0.001	0.000	0.000	0.000
418	A	421	LEU	0	-0.060	-0.027	40.141	-0.001	-0.001	0.000	0.000	0.000
419	A	422	ILE	0	0.015	0.046	41.017	0.000	0.000	0.000	0.000	0.000
420	A	423	THR	0	-0.031	-0.023	39.138	0.000	0.000	0.000	0.000	0.000
421	A	424	MET	0	-0.021	0.003	33.760	-0.001	-0.001	0.000	0.000	0.000
422	A	425	LEU	0	-0.039	-0.007	36.361	0.000	0.000	0.000	0.000	0.000
423	A	426	GLN	0	-0.066	-0.039	37.885	0.000	0.000	0.000	0.000	0.000
424	A	427	GLY	0	0.034	0.025	35.442	-0.001	-0.001	0.000	0.000	0.000
425	A	428	PRO	0	-0.006	0.019	31.594	0.001	0.001	0.000	0.000	0.000
426	A	429	VAL	0	0.021	0.005	32.649	0.002	0.002	0.000	0.000	0.000
427	A	430	ASP	-1	-0.929	-0.940	30.047	-0.009	-0.009	0.000	0.000	0.000
428	A	431	ILE	0	-0.066	-0.050	29.179	0.002	0.002	0.000	0.000	0.000
429	A	432	GLY	0	0.048	0.024	32.689	0.001	0.001	0.000	0.000	0.000
430	A	433	ILE	0	0.078	0.018	35.060	0.002	0.002	0.000	0.000	0.000
431	A	434	ASN	0	-0.117	-0.070	33.075	0.004	0.004	0.000	0.000	0.000
432	A	435	LEU	0	-0.054	-0.014	35.165	0.000	0.000	0.000	0.000	0.000
433	A	436	ILE	0	0.023	0.011	37.813	0.001	0.001	0.000	0.000	0.000
434	A	437	THR	0	-0.085	-0.022	37.766	0.002	0.002	0.000	0.000	0.000
435	A	438	ASN	0	0.026	0.010	39.619	0.000	0.000	0.000	0.000	0.000
436	A	439	ASP	-1	-0.842	-0.914	41.501	-0.003	-0.003	0.000	0.000	0.000
437	A	440	GLN	0	-0.081	-0.058	43.579	0.000	0.000	0.000	0.000	0.000
438	A	441	LEU	0	0.029	-0.008	43.808	-0.001	-0.001	0.000	0.000	0.000
439	A	442	THR	0	0.005	-0.002	46.194	0.000	0.000	0.000	0.000	0.000
440	A	443	PRO	0	-0.033	0.008	48.278	0.000	0.000	0.000	0.000	0.000
441	A	444	ILE	0	0.070	0.033	48.917	0.000	0.000	0.000	0.000	0.000
442	A	445	MET	0	-0.028	-0.004	48.917	0.000	0.000	0.000	0.000	0.000
443	A	446	LEU	0	0.007	-0.016	50.988	0.000	0.000	0.000	0.000	0.000
444	A	447	GLU	-1	-0.951	-0.977	54.136	-0.007	-0.007	0.000	0.000	0.000
445	A	448	MET	0	-0.063	-0.037	51.157	0.000	0.000	0.000	0.000	0.000
446	A	449	ALA	0	-0.039	-0.005	54.381	0.000	0.000	0.000	0.000	0.000
447	A	450	ALA	0	-0.027	-0.025	56.145	0.000	0.000	0.000	0.000	0.000
448	A	451	SER	0	-0.012	0.006	58.771	0.000	0.000	0.000	0.000	0.000
449	A	452	GLN	0	0.009	0.003	60.535	0.000	0.000	0.000	0.000	0.000
450	A	453	ASP	-1	-0.869	-0.924	58.209	-0.012	-0.012	0.000	0.000	0.000
451	A	454	HIS	0	0.062	0.003	59.224	0.000	0.000	0.000	0.000	0.000
452	A	455	LEU	0	-0.025	0.008	54.549	0.000	0.000	0.000	0.000	0.000
453	A	456	MET	0	-0.070	-0.035	54.104	0.000	0.000	0.000	0.000	0.000
454	A	457	GLN	0	-0.010	0.007	54.875	0.000	0.000	0.000	0.000	0.000
455	A	458	GLY	0	0.086	0.040	55.238	0.000	0.000	0.000	0.000	0.000
456	A	459	ILE	0	-0.068	-0.053	50.257	0.000	0.000	0.000	0.000	0.000
457	A	460	ALA	0	0.018	0.025	50.557	-0.001	-0.001	0.000	0.000	0.000
458	A	461	ALA	0	0.025	0.015	50.454	0.000	0.000	0.000	0.000	0.000
459	A	462	GLU	-1	-0.839	-0.904	48.248	-0.015	-0.015	0.000	0.000	0.000
460	A	463	LEU	0	0.002	0.009	44.631	-0.001	-0.001	0.000	0.000	0.000
461	A	464	ILE	0	0.003	0.009	45.845	0.000	0.000	0.000	0.000	0.000
462	A	465	VAL	0	0.077	0.047	46.351	0.001	0.001	0.000	0.000	0.000
463	A	466	ALA	0	-0.048	-0.034	43.631	0.000	0.000	0.000	0.000	0.000
464	A	467	THR	0	-0.055	-0.052	42.300	-0.001	-0.001	0.000	0.000	0.000
465	A	468	VAL	0	-0.084	-0.034	42.748	0.001	0.001	0.000	0.000	0.000
466	A	469	SER	0	-0.103	-0.030	39.187	0.002	0.002	0.000	0.000	0.000
467	A	470	LYS	1	0.985	0.979	33.220	-0.002	-0.002	0.000	0.000	0.000
468	A	471	HIS	0	0.014	0.012	35.408	0.001	0.001	0.000	0.000	0.000
469	A	472	GLU	-1	-0.855	-0.970	38.986	0.009	0.009	0.000	0.000	0.000
470	A	473	ARG	1	0.904	0.957	32.058	0.000	0.000	0.000	0.000	0.000
471	A	474	ALA	0	0.084	0.025	39.089	-0.001	-0.001	0.000	0.000	0.000
472	A	475	ILE	0	-0.054	0.009	41.079	-0.001	-0.001	0.000	0.000	0.000
473	A	476	ASN	0	0.038	0.008	43.329	0.001	0.001	0.000	0.000	0.000
474	A	477	MET	0	0.041	0.026	44.696	0.000	0.000	0.000	0.000	0.000
475	A	478	LEU	0	0.027	0.035	43.763	0.000	0.000	0.000	0.000	0.000
476	A	479	LYS	1	0.929	0.978	47.682	-0.003	-0.003	0.000	0.000	0.000
477	A	480	VAL	0	0.007	0.000	49.688	0.000	0.000	0.000	0.000	0.000
478	A	481	GLY	0	0.045	0.018	50.084	0.000	0.000	0.000	0.000	0.000
479	A	482	ILE	0	-0.015	-0.017	48.538	0.000	0.000	0.000	0.000	0.000
480	A	483	PRO	0	-0.073	-0.066	51.967	0.000	0.000	0.000	0.000	0.000
481	A	484	VAL	0	0.051	0.035	53.687	0.000	0.000	0.000	0.000	0.000
482	A	485	LEU	0	0.000	0.005	51.350	0.000	0.000	0.000	0.000	0.000
483	A	486	ARG	1	0.878	0.950	53.992	0.000	0.000	0.000	0.000	0.000
484	A	487	ALA	0	-0.002	0.025	58.073	0.000	0.000	0.000	0.000	0.000
485	A	488	LEU	0	0.017	0.000	55.607	0.000	0.000	0.000	0.000	0.000
486	A	489	TYR	0	-0.035	-0.016	58.211	-0.001	-0.001	0.000	0.000	0.000
487	A	490	ASP	-1	-0.952	-0.982	60.031	-0.003	-0.003	0.000	0.000	0.000
488	A	491	SER	0	-0.022	-0.013	61.945	0.000	0.000	0.000	0.000	0.000
489	A	492	GLU	-1	-0.933	-0.967	63.891	-0.005	-0.005	0.000	0.000	0.000
490	A	493	ASP	-1	-0.850	-0.914	62.356	-0.010	-0.010	0.000	0.000	0.000
491	A	494	PRO	0	0.005	0.006	62.005	0.000	0.000	0.000	0.000	0.000
492	A	495	THR	0	-0.089	-0.059	58.494	0.000	0.000	0.000	0.000	0.000
493	A	496	VAL	0	0.045	0.020	57.423	0.000	0.000	0.000	0.000	0.000
494	A	497	LYS	1	0.892	0.976	58.085	0.005	0.005	0.000	0.000	0.000
495	A	498	VAL	0	-0.004	-0.021	55.767	0.000	0.000	0.000	0.000	0.000
496	A	499	ARG	1	0.872	0.958	52.418	0.013	0.013	0.000	0.000	0.000
497	A	500	ALA	0	0.019	0.005	53.078	0.000	0.000	0.000	0.000	0.000
498	A	501	LEU	0	-0.034	-0.027	54.637	0.001	0.001	0.000	0.000	0.000
499	A	502	VAL	0	0.070	0.022	49.494	0.001	0.001	0.000	0.000	0.000
500	A	503	GLY	0	0.024	-0.019	48.938	0.000	0.000	0.000	0.000	0.000
501	A	504	LEU	0	-0.075	-0.044	49.985	0.001	0.001	0.000	0.000	0.000
502	A	505	CYS	0	-0.052	-0.038	51.824	0.001	0.001	0.000	0.000	0.000
503	A	506	LYS	1	0.783	0.987	43.149	0.009	0.009	0.000	0.000	0.000
504	A	507	ILE	0	0.023	-0.006	47.519	0.000	0.000	0.000	0.000	0.000
505	A	508	NME	0	-0.016	0.013	48.391	0.000	0.000	0.000	0.000	0.000
506	A	524	ACE	0	-0.004	-0.029	59.695	0.000	0.000	0.000	0.000	0.000
507	A	525	VAL	0	0.035	0.003	56.594	0.000	0.000	0.000	0.000	0.000
508	A	526	ILE	0	0.103	0.050	57.150	0.000	0.000	0.000	0.000	0.000
509	A	527	SER	0	-0.051	-0.017	59.807	0.000	0.000	0.000	0.000	0.000
510	A	528	LEU	0	0.076	0.055	55.050	0.000	0.000	0.000	0.000	0.000
511	A	529	ALA	0	0.096	0.031	57.574	-0.001	-0.001	0.000	0.000	0.000
512	A	530	LYS	1	0.888	0.945	58.673	0.001	0.001	0.000	0.000	0.000
513	A	531	THR	0	-0.016	0.006	60.312	0.000	0.000	0.000	0.000	0.000
514	A	532	CYS	0	-0.013	-0.011	56.478	0.000	0.000	0.000	0.000	0.000
515	A	533	LYS	1	0.893	0.955	58.816	0.004	0.004	0.000	0.000	0.000
516	A	534	LYS	1	0.939	0.964	61.307	0.004	0.004	0.000	0.000	0.000
517	A	535	PHE	0	0.008	0.010	59.932	0.000	0.000	0.000	0.000	0.000
518	A	536	LEU	0	-0.015	-0.014	56.402	0.000	0.000	0.000	0.000	0.000
519	A	537	LEU	0	0.013	0.010	60.626	0.000	0.000	0.000	0.000	0.000
520	A	538	GLU	-1	-0.952	-0.949	63.962	-0.007	-0.007	0.000	0.000	0.000
521	A	539	THR	0	-0.058	-0.109	63.226	-0.001	-0.001	0.000	0.000	0.000
522	A	540	GLU	-1	-0.916	-0.970	64.059	-0.010	-0.010	0.000	0.000	0.000
523	A	541	LYS	1	0.877	0.975	66.225	0.007	0.007	0.000	0.000	0.000
524	A	542	TYR	0	0.035	0.025	62.119	0.000	0.000	0.000	0.000	0.000
525	A	543	SER	0	0.089	0.040	60.298	0.000	0.000	0.000	0.000	0.000
526	A	544	VAL	0	0.003	-0.025	56.608	0.000	0.000	0.000	0.000	0.000
527	A	545	ASP	-1	-0.848	-0.942	53.152	-0.015	-0.015	0.000	0.000	0.000
528	A	546	ILE	0	0.018	0.037	54.980	0.000	0.000	0.000	0.000	0.000
529	A	547	ARG	1	0.869	0.947	56.184	0.011	0.011	0.000	0.000	0.000
530	A	548	ARG	1	0.953	1.007	47.294	0.018	0.018	0.000	0.000	0.000
531	A	549	TYR	0	-0.012	-0.046	50.071	0.000	0.000	0.000	0.000	0.000
532	A	550	ALA	0	-0.040	0.005	52.981	0.001	0.001	0.000	0.000	0.000
533	A	551	CYS	0	-0.005	0.045	51.690	0.001	0.001	0.000	0.000	0.000
534	A	552	GLU	-1	-0.811	-0.870	47.189	-0.011	-0.011	0.000	0.000	0.000
535	A	553	GLY	0	-0.007	-0.005	49.765	0.001	0.001	0.000	0.000	0.000
536	A	554	LEU	0	0.003	-0.022	51.625	0.001	0.001	0.000	0.000	0.000
537	A	555	SER	0	-0.027	-0.027	47.419	0.000	0.000	0.000	0.000	0.000
538	A	556	TYR	0	-0.091	-0.096	44.822	0.001	0.001	0.000	0.000	0.000
539	A	557	LEU	0	-0.011	0.000	48.729	0.001	0.001	0.000	0.000	0.000
540	A	558	SER	0	-0.009	-0.002	50.546	0.001	0.001	0.000	0.000	0.000
541	A	559	LEU	0	0.014	0.005	45.560	0.000	0.000	0.000	0.000	0.000
542	A	560	ASP	-1	-0.861	-0.898	49.115	0.002	0.002	0.000	0.000	0.000
543	A	561	ALA	0	0.029	-0.004	52.159	-0.001	-0.001	0.000	0.000	0.000
544	A	562	ASP	-1	-0.859	-0.940	54.186	0.001	0.001	0.000	0.000	0.000
545	A	563	VAL	0	-0.080	-0.047	53.739	-0.001	-0.001	0.000	0.000	0.000
546	A	564	LYS	1	0.770	0.860	48.750	0.000	0.000	0.000	0.000	0.000
547	A	565	GLU	-1	-0.840	-0.948	55.196	-0.002	-0.002	0.000	0.000	0.000
548	A	566	TRP	0	-0.037	-0.005	58.542	-0.001	-0.001	0.000	0.000	0.000
549	A	567	ILE	0	-0.034	-0.029	54.932	0.000	0.000	0.000	0.000	0.000
550	A	568	VAL	0	-0.052	-0.008	56.683	0.000	0.000	0.000	0.000	0.000
551	A	569	ASP	-1	-0.891	-0.937	59.427	-0.002	-0.002	0.000	0.000	0.000
552	A	570	ASP	-1	-0.917	-0.941	62.380	-0.005	-0.005	0.000	0.000	0.000
553	A	571	SER	0	0.082	0.031	62.544	0.000	0.000	0.000	0.000	0.000
554	A	572	LEU	0	-0.003	-0.008	62.837	-0.001	-0.001	0.000	0.000	0.000
555	A	573	LEU	0	0.013	0.002	58.361	-0.001	-0.001	0.000	0.000	0.000
556	A	574	LEU	0	0.058	0.029	57.308	-0.001	-0.001	0.000	0.000	0.000
557	A	575	LYS	1	0.915	0.966	59.260	0.007	0.007	0.000	0.000	0.000
558	A	576	ALA	0	-0.041	-0.026	61.133	-0.001	-0.001	0.000	0.000	0.000
559	A	577	LEU	0	0.001	-0.007	54.300	-0.001	-0.001	0.000	0.000	0.000
560	A	578	VAL	0	0.004	0.023	55.679	-0.001	-0.001	0.000	0.000	0.000
561	A	579	LEU	0	-0.068	-0.038	56.843	-0.001	-0.001	0.000	0.000	0.000
562	A	580	LEU	0	-0.001	0.000	53.777	-0.001	-0.001	0.000	0.000	0.000
563	A	581	ALA	0	0.116	0.061	52.509	-0.001	-0.001	0.000	0.000	0.000
564	A	582	LYS	1	0.897	0.963	53.810	0.011	0.011	0.000	0.000	0.000
565	A	583	LYS	1	0.828	0.894	55.134	0.016	0.016	0.000	0.000	0.000
566	A	584	ALA	0	0.016	0.011	52.499	0.000	0.000	0.000	0.000	0.000
567	A	585	GLY	0	0.064	0.035	50.344	-0.001	-0.001	0.000	0.000	0.000
568	A	586	ALA	0	0.023	-0.022	44.895	0.001	0.001	0.000	0.000	0.000
569	A	587	LEU	0	-0.023	0.001	45.801	0.000	0.000	0.000	0.000	0.000
570	A	588	CYS	0	-0.080	-0.025	47.892	0.001	0.001	0.000	0.000	0.000
571	A	589	VAL	0	0.058	0.047	43.462	0.001	0.001	0.000	0.000	0.000
572	A	590	TYR	0	0.023	0.005	38.859	0.001	0.001	0.000	0.000	0.000
573	A	591	THR	0	-0.026	-0.045	43.569	0.001	0.001	0.000	0.000	0.000
574	A	592	LEU	0	0.077	0.033	46.963	0.001	0.001	0.000	0.000	0.000
575	A	593	ALA	0	-0.019	-0.003	44.393	0.001	0.001	0.000	0.000	0.000
576	A	594	THR	0	0.036	-0.008	44.173	0.001	0.001	0.000	0.000	0.000
577	A	595	ILE	0	0.001	0.023	46.010	0.001	0.001	0.000	0.000	0.000
578	A	596	TYR	0	0.038	0.009	48.939	0.001	0.001	0.000	0.000	0.000
579	A	597	ALA	0	-0.021	0.006	44.554	0.001	0.001	0.000	0.000	0.000
580	A	598	ASN	0	-0.040	-0.044	45.229	0.001	0.001	0.000	0.000	0.000
581	A	599	LEU	0	-0.045	-0.017	47.983	0.001	0.001	0.000	0.000	0.000
582	A	600	SER	0	0.026	0.027	49.373	0.000	0.000	0.000	0.000	0.000
583	A	601	ASN	0	-0.083	-0.029	47.416	0.000	0.000	0.000	0.000	0.000
584	A	602	ALA	0	0.101	0.056	44.226	0.000	0.000	0.000	0.000	0.000
585	A	603	PHE	0	-0.100	-0.050	40.030	-0.001	-0.001	0.000	0.000	0.000
586	A	604	GLU	-1	-0.889	-0.948	37.298	-0.002	-0.002	0.000	0.000	0.000
587	A	605	LYN	0	0.027	0.000	38.594	0.001	0.001	0.000	0.000	0.000
588	A	606	PRO	0	-0.021	-0.009	35.450	0.000	0.000	0.000	0.000	0.000
589	A	607	LYS	1	0.933	0.970	37.439	-0.008	-0.008	0.000	0.000	0.000
590	A	608	NME	0	0.030	0.027	37.052	0.002	0.002	0.000	0.000	0.000
591	A	617	ACE	0	0.026	0.005	50.628	0.000	0.000	0.000	0.000	0.000
592	A	618	PHE	0	-0.040	-0.023	47.849	-0.001	-0.001	0.000	0.000	0.000
593	A	619	ALA	0	0.048	0.017	48.412	0.001	0.001	0.000	0.000	0.000
594	A	620	LYS	1	0.936	0.957	49.846	-0.015	-0.015	0.000	0.000	0.000
595	A	621	HIS	0	0.020	-0.007	48.490	0.000	0.000	0.000	0.000	0.000
596	A	622	HIS	0	0.071	0.060	50.266	0.000	0.000	0.000	0.000	0.000
597	A	623	VAL	0	0.003	-0.008	52.430	-0.001	-0.001	0.000	0.000	0.000
598	A	624	PRO	0	-0.045	-0.009	49.923	-0.001	-0.001	0.000	0.000	0.000
599	A	625	GLU	-1	-0.940	-0.970	50.041	0.008	0.008	0.000	0.000	0.000
600	A	626	THR	0	0.023	0.014	51.401	-0.001	-0.001	0.000	0.000	0.000
601	A	627	HIS	1	0.883	0.932	52.992	-0.004	-0.004	0.000	0.000	0.000
602	A	628	PRO	0	0.068	0.019	55.897	-0.001	-0.001	0.000	0.000	0.000
603	A	629	LYS	1	0.890	0.934	56.048	-0.001	-0.001	0.000	0.000	0.000
604	A	630	ASP	-1	-0.938	-0.941	50.166	0.000	0.000	0.000	0.000	0.000
605	A	631	THR	0	-0.039	-0.012	51.554	0.000	0.000	0.000	0.000	0.000
606	A	632	GLU	-1	-0.850	-0.978	53.698	0.001	0.001	0.000	0.000	0.000
607	A	633	GLU	-1	-0.925	-0.919	55.068	-0.001	-0.001	0.000	0.000	0.000
608	A	634	TYR	0	0.063	0.053	56.836	-0.001	-0.001	0.000	0.000	0.000
609	A	635	VAL	0	-0.049	-0.014	51.445	-0.001	-0.001	0.000	0.000	0.000
610	A	636	GLU	-1	-0.796	-0.894	54.468	-0.003	-0.003	0.000	0.000	0.000
611	A	637	LYS	1	0.902	0.955	56.655	0.001	0.001	0.000	0.000	0.000
612	A	638	ARG	1	0.832	0.900	52.230	0.001	0.001	0.000	0.000	0.000
613	A	639	VAL	0	0.014	0.018	52.270	-0.001	-0.001	0.000	0.000	0.000
614	A	640	ARG	1	0.839	0.908	55.061	0.004	0.004	0.000	0.000	0.000
615	A	641	ALA	0	0.031	0.020	58.381	0.000	0.000	0.000	0.000	0.000
616	A	642	LEU	0	-0.062	-0.048	53.119	-0.001	-0.001	0.000	0.000	0.000
617	A	643	VAL	0	0.002	-0.001	54.764	-0.001	-0.001	0.000	0.000	0.000
618	A	644	GLU	-1	-0.952	-0.962	57.131	-0.008	-0.008	0.000	0.000	0.000
619	A	645	GLU	-1	-0.933	-0.961	59.409	-0.008	-0.008	0.000	0.000	0.000
620	A	646	GLY	0	-0.022	-0.027	57.939	-0.001	-0.001	0.000	0.000	0.000
621	A	647	ALA	0	0.045	0.056	53.896	0.000	0.000	0.000	0.000	0.000
622	A	648	VAL	0	0.040	-0.007	51.362	-0.001	-0.001	0.000	0.000	0.000
623	A	649	PRO	0	-0.036	-0.015	52.134	-0.001	-0.001	0.000	0.000	0.000
624	A	650	ALA	0	-0.024	-0.010	53.044	-0.001	-0.001	0.000	0.000	0.000
625	A	651	CYS	0	-0.007	0.000	48.289	-0.001	-0.001	0.000	0.000	0.000
626	A	652	VAL	0	0.006	-0.007	48.214	-0.002	-0.002	0.000	0.000	0.000
627	A	653	ALA	0	-0.055	-0.010	49.189	-0.001	-0.001	0.000	0.000	0.000
628	A	654	VAL	0	-0.046	-0.010	47.205	-0.001	-0.001	0.000	0.000	0.000
629	A	655	SER	0	0.005	-0.007	44.916	-0.001	-0.001	0.000	0.000	0.000
630	A	656	LYS	1	0.845	0.936	43.685	0.024	0.024	0.000	0.000	0.000
631	A	657	THR	0	0.086	0.044	40.799	0.000	0.000	0.000	0.000	0.000
632	A	658	GLU	-1	-0.928	-0.955	36.822	-0.036	-0.036	0.000	0.000	0.000
633	A	659	SER	0	-0.028	-0.034	36.567	-0.001	-0.001	0.000	0.000	0.000
634	A	660	LYS	1	0.927	0.917	30.687	0.037	0.037	0.000	0.000	0.000
635	A	661	ASN	0	0.009	-0.008	33.584	0.000	0.000	0.000	0.000	0.000
636	A	662	ALA	0	0.031	0.019	36.974	0.002	0.002	0.000	0.000	0.000
637	A	663	LEU	0	0.009	0.001	37.707	0.002	0.002	0.000	0.000	0.000
638	A	664	GLU	-1	-0.841	-0.906	35.213	-0.015	-0.015	0.000	0.000	0.000
639	A	665	LEU	0	-0.011	0.002	38.953	0.002	0.002	0.000	0.000	0.000
640	A	666	ILE	0	0.040	0.019	42.213	0.001	0.001	0.000	0.000	0.000
641	A	667	ALA	0	-0.030	0.001	40.732	0.001	0.001	0.000	0.000	0.000
642	A	668	ARG	1	0.848	0.913	36.548	0.010	0.010	0.000	0.000	0.000
643	A	669	SER	0	-0.016	-0.016	43.334	0.002	0.002	0.000	0.000	0.000
644	A	670	LEU	0	0.010	-0.002	45.931	0.000	0.000	0.000	0.000	0.000
645	A	671	LEU	0	-0.079	-0.039	42.268	0.000	0.000	0.000	0.000	0.000
646	A	672	ALA	0	0.001	-0.008	46.107	0.001	0.001	0.000	0.000	0.000
647	A	673	PHE	0	-0.018	-0.008	48.265	0.000	0.000	0.000	0.000	0.000
648	A	674	ALA	0	-0.029	-0.019	49.937	0.000	0.000	0.000	0.000	0.000
649	A	675	GLU	-1	-0.912	-0.967	48.622	-0.004	-0.004	0.000	0.000	0.000
650	A	676	TYR	0	0.014	0.007	52.081	0.001	0.001	0.000	0.000	0.000
651	A	677	GLU	-1	-0.935	-1.013	55.522	-0.006	-0.006	0.000	0.000	0.000
652	A	678	ASP	-1	-0.870	-0.931	57.338	-0.006	-0.006	0.000	0.000	0.000
653	A	679	LEU	0	0.043	0.028	55.207	0.000	0.000	0.000	0.000	0.000
654	A	680	ARG	1	0.847	0.935	51.588	0.007	0.007	0.000	0.000	0.000
655	A	681	GLY	0	-0.007	0.001	55.354	-0.001	-0.001	0.000	0.000	0.000
656	A	682	ARG	1	0.844	0.917	57.716	0.009	0.009	0.000	0.000	0.000
657	A	683	ILE	0	0.015	0.025	51.806	-0.001	-0.001	0.000	0.000	0.000
658	A	684	ILE	0	-0.048	-0.001	53.307	-0.001	-0.001	0.000	0.000	0.000
659	A	685	ALA	0	-0.019	-0.013	54.520	-0.001	-0.001	0.000	0.000	0.000
660	A	686	GLU	-1	-0.868	-0.935	55.173	-0.012	-0.012	0.000	0.000	0.000
661	A	687	GLY	0	-0.021	-0.014	52.622	-0.001	-0.001	0.000	0.000	0.000
662	A	688	GLY	0	0.071	0.038	50.264	-0.001	-0.001	0.000	0.000	0.000
663	A	689	THR	0	0.057	0.026	48.369	-0.001	-0.001	0.000	0.000	0.000
664	A	690	VAL	0	-0.014	-0.009	47.049	-0.001	-0.001	0.000	0.000	0.000
665	A	691	LEU	0	0.019	0.011	45.355	-0.002	-0.002	0.000	0.000	0.000
666	A	692	CYS	0	-0.005	-0.013	43.917	-0.001	-0.001	0.000	0.000	0.000
667	A	693	LEU	0	0.035	0.027	42.326	-0.002	-0.002	0.000	0.000	0.000
668	A	694	ARG	1	0.790	0.900	41.383	0.025	0.025	0.000	0.000	0.000
669	A	695	LEU	0	-0.033	-0.017	40.005	-0.002	-0.002	0.000	0.000	0.000
670	A	696	THR	0	0.014	0.025	37.133	-0.001	-0.001	0.000	0.000	0.000
671	A	697	LYS	1	0.866	0.938	36.125	0.033	0.033	0.000	0.000	0.000
672	A	698	GLU	-1	-0.889	-0.965	35.235	-0.035	-0.035	0.000	0.000	0.000
673	A	699	ALA	0	0.002	0.008	35.473	-0.001	-0.001	0.000	0.000	0.000
674	A	700	SER	0	0.021	0.007	31.947	-0.003	-0.003	0.000	0.000	0.000
675	A	701	GLY	0	0.043	0.028	30.681	0.003	0.003	0.000	0.000	0.000
676	A	702	GLU	-1	-0.882	-0.956	31.539	-0.010	-0.010	0.000	0.000	0.000
677	A	703	GLY	0	0.016	0.004	34.066	0.002	0.002	0.000	0.000	0.000
678	A	704	LYS	1	0.863	0.948	31.415	0.044	0.044	0.000	0.000	0.000
679	A	705	ILE	0	0.014	0.008	32.641	0.001	0.001	0.000	0.000	0.000
680	A	706	LYS	1	0.893	0.950	36.579	0.010	0.010	0.000	0.000	0.000
681	A	707	ALA	0	0.017	0.010	39.467	0.001	0.001	0.000	0.000	0.000
682	A	708	GLY	0	0.066	0.025	39.800	0.001	0.001	0.000	0.000	0.000
683	A	709	HIS	0	0.007	0.016	40.829	0.001	0.001	0.000	0.000	0.000
684	A	710	ALA	0	0.050	0.020	42.662	0.001	0.001	0.000	0.000	0.000
685	A	711	ILE	0	-0.025	-0.013	42.553	0.000	0.000	0.000	0.000	0.000
686	A	712	ALA	0	-0.043	-0.016	44.038	0.001	0.001	0.000	0.000	0.000
687	A	713	LYS	1	0.926	0.991	45.982	0.007	0.007	0.000	0.000	0.000
688	A	714	LEU	0	-0.046	-0.019	48.355	0.001	0.001	0.000	0.000	0.000
689	A	715	GLY	0	-0.031	-0.025	49.529	0.000	0.000	0.000	0.000	0.000
690	A	716	ALA	0	0.089	0.032	50.149	0.000	0.000	0.000	0.000	0.000
691	A	717	LYS	1	0.933	0.990	52.562	0.005	0.005	0.000	0.000	0.000
692	A	718	ALA	0	-0.008	-0.013	54.870	0.000	0.000	0.000	0.000	0.000
693	A	719	ASP	-1	-0.847	-0.917	55.439	-0.012	-0.012	0.000	0.000	0.000
694	A	720	PRO	0	0.046	0.042	53.623	-0.001	-0.001	0.000	0.000	0.000
695	A	721	MET	0	0.002	-0.014	54.489	-0.001	-0.001	0.000	0.000	0.000
696	A	722	ILE	0	-0.078	-0.034	57.134	-0.001	-0.001	0.000	0.000	0.000
697	A	723	SER	0	0.000	-0.036	53.114	0.000	0.000	0.000	0.000	0.000
698	A	724	PHE	0	-0.047	-0.029	48.044	-0.001	-0.001	0.000	0.000	0.000
699	A	725	PRO	0	0.079	0.043	52.206	-0.001	-0.001	0.000	0.000	0.000
700	A	726	GLY	0	0.100	0.037	52.501	-0.001	-0.001	0.000	0.000	0.000
701	A	727	GLN	0	-0.070	-0.025	47.315	0.000	0.000	0.000	0.000	0.000
702	A	728	ARG	1	0.826	0.920	47.524	0.023	0.023	0.000	0.000	0.000
703	A	729	ALA	0	0.042	-0.001	47.452	-0.001	-0.001	0.000	0.000	0.000
704	A	730	TYR	0	-0.014	-0.004	45.211	-0.001	-0.001	0.000	0.000	0.000
705	A	731	GLU	-1	-0.862	-0.955	42.505	-0.031	-0.031	0.000	0.000	0.000
706	A	732	VAL	0	-0.057	-0.011	42.129	-0.001	-0.001	0.000	0.000	0.000
707	A	733	VAL	0	0.059	0.004	41.179	0.002	0.002	0.000	0.000	0.000
708	A	734	LYS	1	0.940	0.974	34.205	0.041	0.041	0.000	0.000	0.000
709	A	735	PRO	0	0.071	0.037	37.589	0.000	0.000	0.000	0.000	0.000
710	A	736	LEU	0	0.011	0.019	38.206	0.001	0.001	0.000	0.000	0.000
711	A	737	CYS	0	-0.106	-0.057	38.449	0.002	0.002	0.000	0.000	0.000
712	A	738	ASP	-1	-0.886	-0.961	33.133	-0.033	-0.033	0.000	0.000	0.000
713	A	739	LEU	0	-0.124	-0.035	34.558	0.001	0.001	0.000	0.000	0.000
714	A	740	LEU	0	0.010	0.014	37.053	0.002	0.002	0.000	0.000	0.000
715	A	741	HIS	0	0.026	0.030	29.069	0.004	0.004	0.000	0.000	0.000
716	A	742	PRO	0	-0.111	-0.050	32.211	0.003	0.003	0.000	0.000	0.000
717	A	743	ASP	-1	-0.788	-0.920	34.083	-0.002	-0.002	0.000	0.000	0.000
718	A	744	VAL	0	-0.104	-0.026	32.085	0.002	0.002	0.000	0.000	0.000
719	A	745	GLU	-1	-0.876	-0.955	35.549	0.007	0.007	0.000	0.000	0.000
720	A	746	GLY	0	-0.025	0.016	37.671	0.000	0.000	0.000	0.000	0.000
721	A	747	LYS	1	0.831	0.905	34.255	0.005	0.005	0.000	0.000	0.000
722	A	748	ALA	0	0.053	0.021	40.599	0.001	0.001	0.000	0.000	0.000
723	A	749	ASN	0	0.015	0.029	39.394	-0.003	-0.003	0.000	0.000	0.000
724	A	750	TYR	0	0.056	0.003	42.818	-0.001	-0.001	0.000	0.000	0.000
725	A	751	ASP	-1	-0.883	-0.946	45.982	-0.006	-0.006	0.000	0.000	0.000
726	A	752	SER	0	-0.082	-0.045	42.097	-0.001	-0.001	0.000	0.000	0.000
727	A	753	LEU	0	0.055	0.026	43.720	-0.001	-0.001	0.000	0.000	0.000
728	A	754	LEU	0	0.012	0.030	46.867	-0.001	-0.001	0.000	0.000	0.000
729	A	755	THR	0	-0.025	-0.029	46.860	-0.001	-0.001	0.000	0.000	0.000
730	A	756	LEU	0	0.022	0.002	43.023	-0.001	-0.001	0.000	0.000	0.000
731	A	757	THR	0	-0.029	-0.031	47.597	-0.001	-0.001	0.000	0.000	0.000
732	A	758	ASN	0	-0.038	-0.019	50.609	0.000	0.000	0.000	0.000	0.000
733	A	759	LEU	0	-0.065	-0.021	46.985	-0.001	-0.001	0.000	0.000	0.000
734	A	760	ALA	0	-0.036	-0.036	49.109	-0.001	-0.001	0.000	0.000	0.000
735	A	761	SER	0	-0.003	0.023	50.821	0.000	0.000	0.000	0.000	0.000
736	A	762	VAL	0	0.013	0.009	54.587	0.000	0.000	0.000	0.000	0.000
737	A	763	SER	0	-0.001	-0.019	52.953	-0.001	-0.001	0.000	0.000	0.000
738	A	764	ASP	-1	-0.783	-0.912	52.094	-0.017	-0.017	0.000	0.000	0.000
739	A	765	SER	0	-0.048	-0.019	49.126	-0.001	-0.001	0.000	0.000	0.000
740	A	766	ILE	0	-0.035	-0.010	47.641	-0.002	-0.002	0.000	0.000	0.000
741	A	767	ARG	1	0.975	0.987	46.776	0.014	0.014	0.000	0.000	0.000
742	A	768	GLY	0	-0.015	0.010	46.332	0.000	0.000	0.000	0.000	0.000
743	A	769	ARG	1	0.886	0.936	41.098	0.030	0.030	0.000	0.000	0.000
744	A	770	ILE	0	0.027	0.013	42.095	-0.001	-0.001	0.000	0.000	0.000
745	A	771	LEU	0	0.021	0.033	42.001	0.000	0.000	0.000	0.000	0.000
746	A	772	LYS	1	0.947	0.955	37.468	0.039	0.039	0.000	0.000	0.000
747	A	773	GLU	-1	-0.917	-0.967	36.892	-0.036	-0.036	0.000	0.000	0.000
748	A	774	LYS	1	0.913	0.970	30.585	0.033	0.033	0.000	0.000	0.000
749	A	775	ALA	0	0.061	0.017	36.603	0.001	0.001	0.000	0.000	0.000
750	A	776	ILE	0	0.036	-0.035	38.954	0.002	0.002	0.000	0.000	0.000
751	A	777	PRO	0	-0.039	-0.012	36.735	0.002	0.002	0.000	0.000	0.000
752	A	778	LYS	1	0.972	0.986	33.270	0.011	0.011	0.000	0.000	0.000
753	A	779	ILE	0	-0.050	0.051	38.698	0.002	0.002	0.000	0.000	0.000
754	A	780	GLU	-1	-0.841	-0.923	41.755	-0.008	-0.008	0.000	0.000	0.000
755	A	781	GLU	-1	-0.862	-0.948	37.107	-0.002	-0.002	0.000	0.000	0.000
756	A	782	PHE	0	-0.116	-0.048	40.460	0.002	0.002	0.000	0.000	0.000
757	A	783	TRP	0	0.020	-0.006	44.392	0.000	0.000	0.000	0.000	0.000
758	A	784	PHE	0	-0.015	0.000	41.980	0.001	0.001	0.000	0.000	0.000
759	A	785	MET	0	-0.039	-0.007	42.004	0.002	0.002	0.000	0.000	0.000
760	A	786	THR	0	0.037	0.001	46.120	0.000	0.000	0.000	0.000	0.000
761	A	787	ASP	-1	-0.941	-0.962	48.662	0.005	0.005	0.000	0.000	0.000
762	A	788	HIS	1	0.904	0.929	44.135	-0.004	-0.004	0.000	0.000	0.000
763	A	789	GLU	-1	-0.872	-0.928	49.050	0.001	0.001	0.000	0.000	0.000
764	A	790	HIS	0	0.026	0.030	50.546	-0.001	-0.001	0.000	0.000	0.000
765	A	791	LEU	0	-0.096	-0.060	44.377	-0.001	-0.001	0.000	0.000	0.000
766	A	792	ARG	1	0.985	0.981	47.133	-0.001	-0.001	0.000	0.000	0.000
767	A	793	ALA	0	0.012	0.010	49.471	-0.001	-0.001	0.000	0.000	0.000
768	A	794	ALA	0	0.043	0.027	48.536	-0.001	-0.001	0.000	0.000	0.000
769	A	795	ALA	0	0.019	-0.006	46.573	-0.001	-0.001	0.000	0.000	0.000
770	A	796	ALA	0	0.005	0.027	48.319	-0.001	-0.001	0.000	0.000	0.000
771	A	797	GLU	-1	-0.937	-0.986	51.780	-0.006	-0.006	0.000	0.000	0.000
772	A	798	LEU	0	-0.051	0.005	45.881	-0.001	-0.001	0.000	0.000	0.000
773	A	799	LEU	0	-0.004	-0.023	46.208	-0.001	-0.001	0.000	0.000	0.000
774	A	800	LEU	0	-0.005	0.021	50.001	0.000	0.000	0.000	0.000	0.000
775	A	801	ASN	0	-0.015	-0.042	52.874	-0.001	-0.001	0.000	0.000	0.000
776	A	802	LEU	0	-0.067	-0.025	45.585	-0.001	-0.001	0.000	0.000	0.000
777	A	803	LEU	0	-0.008	0.009	49.102	-0.001	-0.001	0.000	0.000	0.000
778	A	804	PHE	0	-0.051	0.010	51.739	0.000	0.000	0.000	0.000	0.000
779	A	805	PHE	0	-0.083	-0.079	53.489	0.000	0.000	0.000	0.000	0.000
780	A	806	GLU	-1	-0.869	-0.938	52.041	-0.018	-0.018	0.000	0.000	0.000
781	A	807	LYS	1	0.897	0.983	47.332	0.019	0.019	0.000	0.000	0.000
782	A	808	PHE	0	0.028	-0.022	44.571	0.000	0.000	0.000	0.000	0.000
783	A	809	TYR	0	0.007	0.009	48.365	0.001	0.001	0.000	0.000	0.000
784	A	810	GLU	-1	-0.911	-0.965	51.040	-0.015	-0.015	0.000	0.000	0.000
785	A	811	GLU	-1	-0.975	-0.983	44.704	-0.017	-0.017	0.000	0.000	0.000
786	A	812	THR	0	-0.067	-0.049	47.417	0.001	0.001	0.000	0.000	0.000
787	A	813	VAL	0	0.003	0.011	49.557	0.001	0.001	0.000	0.000	0.000
788	A	814	ALA	0	-0.019	-0.014	50.869	0.001	0.001	0.000	0.000	0.000
789	A	815	PRO	0	-0.063	-0.020	45.658	0.001	0.001	0.000	0.000	0.000
790	A	816	GLY	0	0.049	0.025	47.667	0.000	0.000	0.000	0.000	0.000
791	A	817	THR	0	-0.032	-0.009	44.092	0.001	0.001	0.000	0.000	0.000
792	A	818	ASP	-1	-0.866	-0.946	46.592	-0.002	-0.002	0.000	0.000	0.000
793	A	819	ARG	1	0.872	0.925	43.818	0.011	0.011	0.000	0.000	0.000
794	A	820	LEU	0	0.038	0.018	49.158	0.001	0.001	0.000	0.000	0.000
795	A	821	LYS	1	0.920	0.974	50.493	0.001	0.001	0.000	0.000	0.000
796	A	822	LEU	0	0.046	0.017	48.867	0.001	0.001	0.000	0.000	0.000
797	A	823	TRP	0	0.014	0.016	49.551	0.000	0.000	0.000	0.000	0.000
798	A	824	VAL	0	-0.036	-0.005	54.856	0.000	0.000	0.000	0.000	0.000
799	A	825	LEU	0	-0.031	-0.034	53.320	0.000	0.000	0.000	0.000	0.000
800	A	826	TYR	0	0.013	0.014	49.807	0.001	0.001	0.000	0.000	0.000
801	A	827	SER	0	-0.060	-0.020	56.504	0.000	0.000	0.000	0.000	0.000
802	A	828	ALA	0	-0.017	-0.046	59.384	0.000	0.000	0.000	0.000	0.000
803	A	829	GLU	-1	-1.014	-0.996	54.495	0.002	0.002	0.000	0.000	0.000
804	A	830	VAL	0	-0.029	-0.006	58.088	0.000	0.000	0.000	0.000	0.000
805	A	831	GLU	-1	-0.911	-0.962	57.474	0.002	0.002	0.000	0.000	0.000
806	A	832	GLU	-1	-0.906	-0.946	55.466	0.000	0.000	0.000	0.000	0.000
807	A	833	GLU	-1	-0.867	-0.967	59.161	-0.002	-0.002	0.000	0.000	0.000
808	A	834	ARG	1	1.023	1.022	56.979	0.004	0.004	0.000	0.000	0.000
809	A	835	LEU	0	0.010	0.017	52.343	-0.001	-0.001	0.000	0.000	0.000
810	A	836	SER	0	0.052	0.049	56.143	0.000	0.000	0.000	0.000	0.000
811	A	837	ARG	1	0.789	0.833	59.017	0.002	0.002	0.000	0.000	0.000
812	A	838	ALA	0	0.006	0.032	55.522	-0.001	-0.001	0.000	0.000	0.000
813	A	839	SER	0	-0.019	-0.015	54.039	-0.001	-0.001	0.000	0.000	0.000
814	A	840	ALA	0	0.073	0.038	56.406	0.000	0.000	0.000	0.000	0.000
815	A	841	ALA	0	-0.048	-0.028	59.703	0.000	0.000	0.000	0.000	0.000
816	A	842	GLY	0	-0.027	-0.009	56.907	-0.001	-0.001	0.000	0.000	0.000
817	A	843	PHE	0	-0.041	0.016	57.425	0.000	0.000	0.000	0.000	0.000
818	A	844	ALA	0	0.003	-0.007	59.876	0.000	0.000	0.000	0.000	0.000
819	A	845	ILE	0	-0.043	-0.021	58.943	0.000	0.000	0.000	0.000	0.000
820	A	846	LEU	0	-0.003	0.008	54.595	-0.001	-0.001	0.000	0.000	0.000
821	A	847	THR	0	0.001	-0.031	58.712	0.000	0.000	0.000	0.000	0.000
822	A	848	GLU	-1	-1.063	-1.000	60.656	-0.010	-0.010	0.000	0.000	0.000
823	A	849	ASP	-1	-0.787	-0.901	57.880	-0.010	-0.010	0.000	0.000	0.000
824	A	850	GLU	-1	-0.938	-0.977	60.651	-0.007	-0.007	0.000	0.000	0.000
825	A	851	ASN	0	-0.068	-0.063	56.750	0.001	0.001	0.000	0.000	0.000
826	A	852	ALA	0	0.055	0.047	56.972	0.000	0.000	0.000	0.000	0.000
827	A	853	CYS	0	-0.064	-0.012	58.050	0.001	0.001	0.000	0.000	0.000
828	A	854	ALA	0	-0.051	-0.036	58.259	0.001	0.001	0.000	0.000	0.000
829	A	855	ARG	1	0.936	0.981	53.783	0.008	0.008	0.000	0.000	0.000
830	A	856	ILE	0	0.041	0.063	55.994	0.001	0.001	0.000	0.000	0.000
831	A	857	MET	0	-0.046	-0.022	58.124	0.001	0.001	0.000	0.000	0.000
832	A	858	ASP	-1	-0.954	-0.985	57.679	-0.003	-0.003	0.000	0.000	0.000
833	A	859	GLU	-1	-0.884	-0.933	52.383	0.000	0.000	0.000	0.000	0.000
834	A	860	ILE	0	-0.097	-0.017	56.167	0.001	0.001	0.000	0.000	0.000
835	A	861	LYS	1	0.949	0.954	53.645	-0.002	-0.002	0.000	0.000	0.000
836	A	862	SER	0	0.011	-0.033	59.167	0.000	0.000	0.000	0.000	0.000
837	A	863	TRP	0	0.039	0.045	61.270	0.000	0.000	0.000	0.000	0.000
838	A	864	PRO	0	-0.051	-0.014	62.310	0.000	0.000	0.000	0.000	0.000
839	A	865	GLU	-1	-0.956	-0.984	62.429	0.002	0.002	0.000	0.000	0.000
840	A	866	VAL	0	0.134	0.075	59.735	0.000	0.000	0.000	0.000	0.000
841	A	867	PHE	0	-0.006	-0.024	62.829	0.000	0.000	0.000	0.000	0.000
842	A	868	LYS	1	0.864	0.927	65.269	-0.001	-0.001	0.000	0.000	0.000
843	A	869	ASP	-1	-0.853	-0.924	63.708	0.001	0.001	0.000	0.000	0.000
844	A	870	ILE	0	-0.028	0.001	62.378	0.000	0.000	0.000	0.000	0.000
845	A	871	ALA	0	-0.022	0.009	65.550	0.000	0.000	0.000	0.000	0.000
846	A	872	MET	0	-0.106	-0.052	68.989	0.000	0.000	0.000	0.000	0.000
847	A	873	HIS	0	0.059	0.051	64.255	0.000	0.000	0.000	0.000	0.000
848	A	874	GLU	-1	-0.942	-0.990	66.669	0.000	0.000	0.000	0.000	0.000
849	A	875	ASP	-1	-0.688	-0.756	63.974	-0.002	-0.002	0.000	0.000	0.000
850	A	876	ALA	0	0.093	0.030	67.120	0.000	0.000	0.000	0.000	0.000
851	A	877	GLU	-1	-0.890	-0.936	65.605	-0.005	-0.005	0.000	0.000	0.000
852	A	878	THR	0	-0.097	-0.129	62.925	-0.001	-0.001	0.000	0.000	0.000
853	A	879	GLN	0	0.022	0.037	65.152	0.000	0.000	0.000	0.000	0.000
854	A	880	ARG	1	0.780	0.882	67.825	0.004	0.004	0.000	0.000	0.000
855	A	881	ARG	1	0.847	0.904	61.633	0.005	0.005	0.000	0.000	0.000
856	A	882	GLY	0	0.104	0.043	63.950	0.000	0.000	0.000	0.000	0.000
857	A	883	LEU	0	-0.019	-0.042	64.993	0.000	0.000	0.000	0.000	0.000
858	A	884	MET	0	0.014	0.017	66.591	0.000	0.000	0.000	0.000	0.000
859	A	885	GLY	0	0.015	0.004	63.732	0.000	0.000	0.000	0.000	0.000
860	A	886	ILE	0	0.032	0.017	64.408	0.000	0.000	0.000	0.000	0.000
861	A	887	ALA	0	-0.061	-0.031	66.218	0.000	0.000	0.000	0.000	0.000
862	A	888	ASN	0	-0.051	-0.039	65.906	0.000	0.000	0.000	0.000	0.000
863	A	889	ILE	0	0.035	-0.006	62.556	0.000	0.000	0.000	0.000	0.000
864	A	890	MET	0	-0.072	-0.009	65.690	0.000	0.000	0.000	0.000	0.000
865	A	891	HIS	0	-0.062	-0.022	68.754	0.000	0.000	0.000	0.000	0.000
866	A	892	SER	0	0.007	0.006	66.418	0.000	0.000	0.000	0.000	0.000
867	A	893	SER	0	0.052	0.041	65.238	0.000	0.000	0.000	0.000	0.000
868	A	894	ASN	0	0.063	-0.003	68.052	0.000	0.000	0.000	0.000	0.000
869	A	895	LYS	1	0.877	0.954	64.041	0.004	0.004	0.000	0.000	0.000
870	A	896	LEU	0	0.086	0.030	64.000	0.000	0.000	0.000	0.000	0.000
871	A	897	CYS	0	-0.017	-0.011	67.938	0.000	0.000	0.000	0.000	0.000
872	A	898	SER	0	-0.088	-0.049	71.258	0.000	0.000	0.000	0.000	0.000
873	A	899	GLU	-1	-0.909	-0.926	67.256	-0.001	-0.001	0.000	0.000	0.000
874	A	900	ILE	0	-0.024	-0.019	70.489	0.000	0.000	0.000	0.000	0.000
875	A	901	VAL	0	0.003	-0.015	70.388	0.000	0.000	0.000	0.000	0.000
876	A	902	SER	0	-0.063	-0.020	71.150	0.000	0.000	0.000	0.000	0.000
877	A	903	SER	0	0.043	-0.005	69.978	0.000	0.000	0.000	0.000	0.000
878	A	904	GLU	-1	-0.940	-0.982	72.165	-0.001	-0.001	0.000	0.000	0.000
879	A	905	VAL	0	-0.010	-0.006	75.188	0.000	0.000	0.000	0.000	0.000
880	A	906	PHE	0	0.089	0.050	70.076	0.000	0.000	0.000	0.000	0.000
881	A	907	ARG	1	0.885	0.888	74.019	0.002	0.002	0.000	0.000	0.000
882	A	908	VAL	0	0.003	0.023	76.153	0.000	0.000	0.000	0.000	0.000
883	A	909	LEU	0	0.027	0.012	76.758	0.000	0.000	0.000	0.000	0.000
884	A	910	VAL	0	-0.166	-0.052	74.920	0.000	0.000	0.000	0.000	0.000
885	A	911	ALA	0	0.103	0.022	77.952	0.000	0.000	0.000	0.000	0.000
886	A	912	VAL	0	-0.039	-0.019	81.207	0.000	0.000	0.000	0.000	0.000
887	A	913	THR	0	0.033	0.003	82.624	0.000	0.000	0.000	0.000	0.000
888	A	914	LYS	1	0.920	0.976	77.596	0.001	0.001	0.000	0.000	0.000
889	A	915	LEU	0	0.016	0.045	78.706	0.000	0.000	0.000	0.000	0.000
890	A	916	GLY	0	0.014	-0.016	75.952	0.000	0.000	0.000	0.000	0.000
891	A	917	THR	0	0.052	0.014	73.776	0.000	0.000	0.000	0.000	0.000
892	A	918	ILE	0	-0.021	0.011	71.235	0.000	0.000	0.000	0.000	0.000
893	A	919	ASN	0	0.002	-0.038	73.550	0.000	0.000	0.000	0.000	0.000
894	A	920	GLN	0	-0.043	-0.011	74.174	0.000	0.000	0.000	0.000	0.000
895	A	921	GLU	-1	-0.829	-0.912	69.846	-0.005	-0.005	0.000	0.000	0.000
896	A	922	ARG	1	0.712	0.904	71.749	0.002	0.002	0.000	0.000	0.000
897	A	923	ALA	0	-0.056	-0.040	74.450	0.000	0.000	0.000	0.000	0.000
898	A	924	GLY	0	0.067	0.030	73.788	0.000	0.000	0.000	0.000	0.000
899	A	925	SER	0	0.082	0.032	71.957	0.000	0.000	0.000	0.000	0.000
900	A	926	THR	0	-0.142	-0.074	73.575	0.000	0.000	0.000	0.000	0.000
901	A	927	GLU	-1	-0.793	-0.862	76.398	-0.004	-0.004	0.000	0.000	0.000
902	A	928	GLN	0	0.003	0.015	70.332	0.000	0.000	0.000	0.000	0.000
903	A	929	ALA	0	-0.003	-0.009	75.106	0.000	0.000	0.000	0.000	0.000
904	A	930	LYS	1	0.730	0.850	77.761	0.004	0.004	0.000	0.000	0.000
905	A	931	NME	0	0.031	0.019	77.044	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:4:ACE )