FMO DATABASE

FMODB ID: 1N55Z

Calculation Name: 1UF2-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1UF2

Chain ID: A

ChEMBL ID:

UniProt ID: P22472

Base Structure: X-ray

Registration Date: 2023-09-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	967
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24854665.254443
FMO2-HF: Nuclear repulsion	24474302.404062
FMO2-HF: Total energy	-380362.850382
FMO2-MP2: Total energy	-381475.060507

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:50:GLN)

Summations of interaction energy for fragment #1(A:50:GLN)

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.
-4.689	-2.789	-0.012	-0.763	-1.125	0

Interaction energy analysis for fragmet #1(A:50:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.042 / q_NPA : -0.033

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	52	VAL	0	-0.020	-0.003	3.653	-0.940	0.754	-0.010	-0.722	-0.962
4	A	53	VAL	0	0.011	0.013	6.064	0.471	0.471	0.000	0.000	0.000
5	A	54	SER	0	-0.003	0.006	9.800	0.109	0.109	0.000	0.000	0.000
6	A	55	ARG	1	0.947	0.961	12.380	1.052	1.052	0.000	0.000	0.000
7	A	56	THR	0	0.006	0.011	15.458	0.141	0.141	0.000	0.000	0.000
8	A	57	PRO	0	-0.068	-0.031	16.187	-0.078	-0.078	0.000	0.000	0.000
9	A	58	ILE	0	0.002	0.001	17.422	-0.024	-0.024	0.000	0.000	0.000
10	A	59	PRO	0	0.026	0.047	18.619	0.082	0.082	0.000	0.000	0.000
11	A	60	LEU	0	0.013	0.009	21.331	0.027	0.027	0.000	0.000	0.000
12	A	61	SER	0	-0.027	-0.009	24.628	-0.009	-0.009	0.000	0.000	0.000
13	A	62	LYS	1	0.943	0.961	26.444	0.411	0.411	0.000	0.000	0.000
14	A	63	ILE	0	-0.016	0.008	30.080	-0.012	-0.012	0.000	0.000	0.000
15	A	64	GLY	0	0.068	0.036	32.814	0.012	0.012	0.000	0.000	0.000
16	A	65	LEU	0	-0.011	-0.013	36.524	-0.002	-0.002	0.000	0.000	0.000
17	A	66	GLN	0	0.013	-0.007	38.661	-0.007	-0.007	0.000	0.000	0.000
18	A	67	ASP	-1	-0.915	-0.962	34.839	-0.300	-0.300	0.000	0.000	0.000
19	A	68	VAL	0	-0.051	-0.005	35.992	-0.012	-0.012	0.000	0.000	0.000
20	A	69	LYS	1	0.859	0.929	36.091	0.258	0.258	0.000	0.000	0.000
21	A	70	LYS	1	0.910	0.957	38.249	0.203	0.203	0.000	0.000	0.000
22	A	71	LEU	0	-0.045	-0.024	39.850	-0.001	-0.001	0.000	0.000	0.000
23	A	72	PHE	0	-0.042	-0.029	43.317	0.007	0.007	0.000	0.000	0.000
24	A	73	ASP	-1	-0.868	-0.927	46.932	-0.171	-0.171	0.000	0.000	0.000
25	A	74	ILE	0	-0.029	-0.027	49.297	0.006	0.006	0.000	0.000	0.000
26	A	75	ASN	0	-0.039	-0.005	52.503	-0.001	-0.001	0.000	0.000	0.000
27	A	76	VAL	0	-0.004	0.001	55.574	0.002	0.002	0.000	0.000	0.000
28	A	77	ILE	0	-0.016	-0.007	58.721	0.000	0.000	0.000	0.000	0.000
29	A	78	LYS	1	0.961	0.980	62.159	0.095	0.095	0.000	0.000	0.000
30	A	79	CYS	0	-0.025	0.006	65.627	0.001	0.001	0.000	0.000	0.000
31	A	80	GLY	0	0.111	0.048	67.559	0.002	0.002	0.000	0.000	0.000
32	A	81	SER	0	-0.048	-0.018	71.166	0.001	0.001	0.000	0.000	0.000
33	A	82	SER	0	0.023	0.008	74.065	0.000	0.000	0.000	0.000	0.000
34	A	83	LEU	0	-0.069	-0.032	75.838	0.002	0.002	0.000	0.000	0.000
35	A	84	ARG	1	0.927	0.952	77.915	0.057	0.057	0.000	0.000	0.000
36	A	85	ILE	0	-0.003	-0.003	78.225	-0.001	-0.001	0.000	0.000	0.000
37	A	86	VAL	0	-0.027	-0.008	74.014	0.001	0.001	0.000	0.000	0.000
38	A	87	ASP	-1	-0.898	-0.953	75.939	-0.064	-0.064	0.000	0.000	0.000
39	A	88	GLU	-1	-0.980	-0.988	72.526	-0.072	-0.072	0.000	0.000	0.000
40	A	89	PRO	0	-0.053	-0.012	69.440	0.000	0.000	0.000	0.000	0.000
41	A	90	GLN	0	0.060	0.020	66.451	-0.001	-0.001	0.000	0.000	0.000
42	A	91	VAL	0	-0.010	-0.002	62.644	-0.002	-0.002	0.000	0.000	0.000
43	A	92	THR	0	-0.045	-0.028	61.102	0.000	0.000	0.000	0.000	0.000
44	A	93	PHE	0	-0.018	-0.014	56.874	-0.003	-0.003	0.000	0.000	0.000
45	A	94	ILE	0	-0.002	-0.005	55.664	0.001	0.001	0.000	0.000	0.000
46	A	95	VAL	0	-0.010	-0.008	51.165	-0.005	-0.005	0.000	0.000	0.000
47	A	96	SER	0	0.032	0.009	50.871	0.006	0.006	0.000	0.000	0.000
48	A	97	TYR	0	-0.016	-0.010	46.263	-0.007	-0.007	0.000	0.000	0.000
49	A	98	ALA	0	0.015	0.027	43.610	0.002	0.002	0.000	0.000	0.000
50	A	99	LYS	1	0.938	0.948	44.536	0.154	0.154	0.000	0.000	0.000
51	A	100	ASP	-1	-0.881	-0.935	39.078	-0.220	-0.220	0.000	0.000	0.000
52	A	101	ILE	0	-0.048	-0.037	38.668	-0.017	-0.017	0.000	0.000	0.000
53	A	102	TYR	0	0.019	0.009	34.441	-0.006	-0.006	0.000	0.000	0.000
54	A	103	ASP	-1	-0.802	-0.910	35.570	-0.232	-0.232	0.000	0.000	0.000
55	A	104	LYS	1	0.921	0.946	27.783	0.416	0.416	0.000	0.000	0.000
56	A	105	PHE	0	0.019	0.005	30.866	-0.009	-0.009	0.000	0.000	0.000
57	A	106	MET	0	-0.017	0.017	32.625	0.014	0.014	0.000	0.000	0.000
58	A	107	CYS	0	-0.014	0.000	33.585	0.005	0.005	0.000	0.000	0.000
59	A	108	ILE	0	0.081	0.035	36.361	0.011	0.011	0.000	0.000	0.000
60	A	109	GLU	-1	-0.946	-0.974	38.388	-0.172	-0.172	0.000	0.000	0.000
61	A	110	HIS	0	-0.084	-0.033	36.082	0.001	0.001	0.000	0.000	0.000
62	A	111	ASP	-1	-0.825	-0.916	38.533	-0.133	-0.133	0.000	0.000	0.000
63	A	112	SER	0	-0.011	-0.023	36.414	0.000	0.000	0.000	0.000	0.000
64	A	113	ALA	0	-0.058	-0.018	37.376	0.001	0.001	0.000	0.000	0.000
65	A	114	TYR	0	-0.015	-0.015	39.292	0.009	0.009	0.000	0.000	0.000
66	A	115	GLU	-1	-0.908	-0.952	34.588	-0.162	-0.162	0.000	0.000	0.000
67	A	116	PRO	0	0.018	0.023	33.122	-0.011	-0.011	0.000	0.000	0.000
68	A	117	SER	0	0.048	-0.008	29.875	-0.005	-0.005	0.000	0.000	0.000
69	A	118	LEU	0	0.036	0.036	29.649	-0.019	-0.019	0.000	0.000	0.000
70	A	119	THR	0	0.042	0.011	30.448	-0.023	-0.023	0.000	0.000	0.000
71	A	120	MET	0	0.021	0.024	25.581	-0.018	-0.018	0.000	0.000	0.000
72	A	121	HIS	0	0.030	0.007	26.384	-0.030	-0.030	0.000	0.000	0.000
73	A	122	ARG	1	0.852	0.928	26.903	0.184	0.184	0.000	0.000	0.000
74	A	123	VAL	0	-0.003	0.011	24.465	-0.023	-0.023	0.000	0.000	0.000
75	A	124	ARG	1	0.867	0.904	19.340	0.573	0.573	0.000	0.000	0.000
76	A	125	VAL	0	-0.014	-0.013	23.861	-0.047	-0.047	0.000	0.000	0.000
77	A	126	ILE	0	0.015	0.013	25.987	-0.030	-0.030	0.000	0.000	0.000
78	A	127	TYR	0	0.047	0.010	21.663	-0.020	-0.020	0.000	0.000	0.000
79	A	128	SER	0	-0.101	-0.045	22.891	-0.044	-0.044	0.000	0.000	0.000
80	A	129	MET	0	0.001	0.002	23.757	-0.006	-0.006	0.000	0.000	0.000
81	A	130	LEU	0	0.000	-0.001	23.488	0.009	0.009	0.000	0.000	0.000
82	A	131	ASN	0	0.003	-0.021	19.952	-0.009	-0.009	0.000	0.000	0.000
83	A	132	ASP	-1	-0.953	-0.961	24.157	-0.538	-0.538	0.000	0.000	0.000
84	A	133	TYR	0	-0.047	-0.036	26.935	0.025	0.025	0.000	0.000	0.000
85	A	134	CYS	0	-0.015	0.010	27.667	0.008	0.008	0.000	0.000	0.000
86	A	135	ALA	0	0.023	0.026	24.741	0.012	0.012	0.000	0.000	0.000
87	A	136	LYS	1	0.898	0.966	26.606	0.476	0.476	0.000	0.000	0.000
88	A	137	MET	0	0.035	0.035	29.160	0.029	0.029	0.000	0.000	0.000
89	A	138	ILE	0	-0.001	-0.005	31.556	-0.002	-0.002	0.000	0.000	0.000
90	A	139	SER	0	-0.055	-0.030	33.487	0.004	0.004	0.000	0.000	0.000
91	A	140	GLU	-1	-0.923	-0.963	35.614	-0.246	-0.246	0.000	0.000	0.000
92	A	141	VAL	0	0.015	0.019	38.487	0.002	0.002	0.000	0.000	0.000
93	A	142	PRO	0	-0.028	-0.011	41.884	0.004	0.004	0.000	0.000	0.000
94	A	143	TYR	0	0.026	-0.006	43.842	0.011	0.011	0.000	0.000	0.000
95	A	144	GLU	-1	-0.918	-0.946	47.633	-0.141	-0.141	0.000	0.000	0.000
96	A	145	SER	0	-0.043	-0.042	50.710	0.000	0.000	0.000	0.000	0.000
97	A	146	SER	0	0.023	0.017	53.516	0.001	0.001	0.000	0.000	0.000
98	A	147	PHE	0	0.022	0.018	56.626	-0.001	-0.001	0.000	0.000	0.000
99	A	148	VAL	0	-0.032	-0.012	58.320	0.000	0.000	0.000	0.000	0.000
100	A	149	GLY	0	-0.010	0.003	61.023	0.002	0.002	0.000	0.000	0.000
101	A	150	GLU	-1	-0.918	-0.969	64.053	-0.079	-0.079	0.000	0.000	0.000
102	A	151	LEU	0	-0.022	-0.009	58.695	-0.001	-0.001	0.000	0.000	0.000
103	A	152	PRO	0	-0.042	-0.004	57.418	-0.002	-0.002	0.000	0.000	0.000
104	A	153	VAL	0	0.013	-0.015	54.606	-0.001	-0.001	0.000	0.000	0.000
105	A	154	LYS	1	0.924	0.969	49.733	0.142	0.142	0.000	0.000	0.000
106	A	155	SER	0	0.026	0.013	51.188	-0.003	-0.003	0.000	0.000	0.000
107	A	156	VAL	0	0.024	-0.003	46.612	-0.004	-0.004	0.000	0.000	0.000
108	A	157	THR	0	-0.014	-0.008	47.836	0.004	0.004	0.000	0.000	0.000
109	A	158	LEU	0	0.013	-0.001	48.271	-0.008	-0.008	0.000	0.000	0.000
110	A	159	ASN	0	0.019	-0.002	49.418	-0.004	-0.004	0.000	0.000	0.000
111	A	160	LYS	1	0.909	0.964	44.917	0.183	0.183	0.000	0.000	0.000
112	A	161	LEU	0	-0.014	-0.007	44.037	-0.011	-0.011	0.000	0.000	0.000
113	A	162	GLY	0	0.027	0.019	46.113	-0.002	-0.002	0.000	0.000	0.000
114	A	163	ASP	-1	-0.888	-0.948	46.585	-0.172	-0.172	0.000	0.000	0.000
115	A	164	ARG	1	0.823	0.892	45.290	0.181	0.181	0.000	0.000	0.000
116	A	165	ASN	0	0.007	0.025	48.687	0.004	0.004	0.000	0.000	0.000
117	A	166	MET	0	0.037	-0.007	50.976	0.005	0.005	0.000	0.000	0.000
118	A	167	ASP	-1	-0.829	-0.923	53.446	-0.122	-0.122	0.000	0.000	0.000
119	A	168	ALA	0	-0.018	-0.010	54.298	0.005	0.005	0.000	0.000	0.000
120	A	169	LEU	0	-0.030	-0.024	53.370	0.004	0.004	0.000	0.000	0.000
121	A	170	ALA	0	0.029	0.010	56.340	0.004	0.004	0.000	0.000	0.000
122	A	171	GLU	-1	-0.991	-0.984	59.130	-0.107	-0.107	0.000	0.000	0.000
123	A	172	HIS	0	-0.030	-0.019	57.844	0.006	0.006	0.000	0.000	0.000
124	A	173	LEU	0	-0.094	-0.042	61.991	0.003	0.003	0.000	0.000	0.000
125	A	174	LEU	0	0.003	0.004	64.562	0.000	0.000	0.000	0.000	0.000
126	A	175	PHE	0	0.021	0.018	68.196	0.001	0.001	0.000	0.000	0.000
127	A	176	GLU	-1	-0.899	-0.953	67.235	-0.086	-0.086	0.000	0.000	0.000
128	A	177	HIS	0	0.019	-0.004	67.018	-0.003	-0.003	0.000	0.000	0.000
129	A	178	ASP	-1	-0.887	-0.937	66.371	-0.085	-0.085	0.000	0.000	0.000
130	A	179	VAL	0	0.019	0.022	61.962	-0.003	-0.003	0.000	0.000	0.000
131	A	180	VAL	0	0.029	0.023	62.780	-0.003	-0.003	0.000	0.000	0.000
132	A	181	ASN	0	-0.071	-0.048	63.000	-0.002	-0.002	0.000	0.000	0.000
133	A	182	ALA	0	0.061	0.039	60.357	-0.002	-0.002	0.000	0.000	0.000
134	A	183	GLN	0	0.018	-0.015	58.615	-0.002	-0.002	0.000	0.000	0.000
135	A	184	ARG	1	0.882	0.947	58.375	0.088	0.088	0.000	0.000	0.000
136	A	185	GLU	-1	-0.937	-0.981	59.197	-0.102	-0.102	0.000	0.000	0.000
137	A	186	ASN	0	0.003	0.003	54.983	-0.003	-0.003	0.000	0.000	0.000
138	A	187	ARG	1	0.916	0.964	54.556	0.106	0.106	0.000	0.000	0.000
139	A	188	ILE	0	-0.066	-0.021	55.459	-0.001	-0.001	0.000	0.000	0.000
140	A	189	PHE	0	0.005	-0.010	53.970	-0.002	-0.002	0.000	0.000	0.000
141	A	190	TYR	0	-0.020	-0.009	49.468	-0.003	-0.003	0.000	0.000	0.000
142	A	191	GLN	0	-0.069	-0.034	50.545	-0.002	-0.002	0.000	0.000	0.000
143	A	192	ARG	1	0.890	0.960	43.800	0.172	0.172	0.000	0.000	0.000
144	A	193	LYS	1	0.966	0.980	47.913	0.133	0.133	0.000	0.000	0.000
145	A	194	SER	0	0.034	0.015	47.164	-0.006	-0.006	0.000	0.000	0.000
146	A	195	ALA	0	-0.012	-0.001	43.471	0.002	0.002	0.000	0.000	0.000
147	A	196	PRO	0	-0.043	-0.013	45.015	0.004	0.004	0.000	0.000	0.000
148	A	197	ALA	0	0.028	-0.012	42.852	0.006	0.006	0.000	0.000	0.000
149	A	198	VAL	0	-0.039	-0.005	37.132	-0.004	-0.004	0.000	0.000	0.000
150	A	199	PRO	0	-0.013	0.012	36.603	0.003	0.003	0.000	0.000	0.000
151	A	200	VAL	0	0.011	0.012	31.627	-0.007	-0.007	0.000	0.000	0.000
152	A	201	ILE	0	0.001	0.000	33.836	0.012	0.012	0.000	0.000	0.000
153	A	202	PHE	0	-0.012	-0.002	28.611	-0.008	-0.008	0.000	0.000	0.000
154	A	203	GLY	0	-0.012	-0.015	31.170	0.016	0.016	0.000	0.000	0.000
155	A	204	ASP	-1	-0.887	-0.945	29.123	-0.274	-0.274	0.000	0.000	0.000
156	A	205	ASP	-1	-0.918	-0.940	31.952	-0.138	-0.138	0.000	0.000	0.000
157	A	206	LEU	0	-0.021	-0.022	31.340	-0.004	-0.004	0.000	0.000	0.000
158	A	207	GLU	-1	-0.891	-0.945	35.276	-0.136	-0.136	0.000	0.000	0.000
159	A	208	PRO	0	-0.021	-0.032	37.840	-0.009	-0.009	0.000	0.000	0.000
160	A	209	ALA	0	-0.024	-0.023	39.213	-0.005	-0.005	0.000	0.000	0.000
161	A	210	VAL	0	0.008	0.030	33.920	-0.003	-0.003	0.000	0.000	0.000
162	A	211	ARG	1	0.911	0.975	35.804	0.138	0.138	0.000	0.000	0.000
163	A	212	GLU	-1	-0.726	-0.778	34.474	-0.241	-0.241	0.000	0.000	0.000
164	A	213	ARG	1	0.968	0.970	37.235	0.175	0.175	0.000	0.000	0.000
165	A	214	ALA	0	0.082	0.019	40.853	-0.007	-0.007	0.000	0.000	0.000
166	A	215	ASN	0	0.005	0.004	42.926	-0.005	-0.005	0.000	0.000	0.000
167	A	216	LEU	0	-0.034	-0.003	38.503	0.003	0.003	0.000	0.000	0.000
168	A	217	TYR	0	-0.058	-0.075	35.756	-0.016	-0.016	0.000	0.000	0.000
169	A	218	HIS	0	-0.074	-0.052	41.325	0.022	0.022	0.000	0.000	0.000
170	A	219	ARG	1	0.873	0.938	42.532	0.148	0.148	0.000	0.000	0.000
171	A	220	TYR	0	0.013	0.003	41.930	0.013	0.013	0.000	0.000	0.000
172	A	221	SER	0	-0.004	0.019	44.985	-0.003	-0.003	0.000	0.000	0.000
173	A	222	VAL	0	-0.002	-0.008	43.100	0.004	0.004	0.000	0.000	0.000
174	A	223	PRO	0	0.017	0.017	46.440	0.002	0.002	0.000	0.000	0.000
175	A	224	TYR	0	-0.003	-0.029	42.012	-0.001	-0.001	0.000	0.000	0.000
176	A	225	HIS	0	0.084	0.059	45.194	-0.004	-0.004	0.000	0.000	0.000
177	A	226	GLN	0	0.099	0.044	41.997	-0.004	-0.004	0.000	0.000	0.000
178	A	227	ILE	0	-0.031	-0.021	41.391	-0.013	-0.013	0.000	0.000	0.000
179	A	228	GLU	-1	-0.727	-0.848	40.089	-0.202	-0.202	0.000	0.000	0.000
180	A	229	LEU	0	0.015	0.012	38.560	-0.014	-0.014	0.000	0.000	0.000
181	A	230	ALA	0	-0.036	-0.018	37.172	-0.014	-0.014	0.000	0.000	0.000
182	A	231	LEU	0	0.060	0.026	32.517	-0.009	-0.009	0.000	0.000	0.000
183	A	232	HIS	0	-0.002	-0.025	32.353	-0.005	-0.005	0.000	0.000	0.000
184	A	233	ALA	0	-0.032	-0.004	33.312	-0.009	-0.009	0.000	0.000	0.000
185	A	234	LEU	0	0.007	-0.007	30.584	-0.002	-0.002	0.000	0.000	0.000
186	A	235	ALA	0	0.021	0.033	28.978	-0.018	-0.018	0.000	0.000	0.000
187	A	236	ASN	0	0.002	-0.008	29.248	-0.029	-0.029	0.000	0.000	0.000
188	A	237	ASP	-1	-0.888	-0.945	29.896	-0.289	-0.289	0.000	0.000	0.000
189	A	238	LEU	0	-0.052	-0.042	24.616	-0.017	-0.017	0.000	0.000	0.000
190	A	239	LEU	0	-0.024	-0.029	25.520	-0.037	-0.037	0.000	0.000	0.000
191	A	240	SER	0	-0.029	-0.003	26.825	-0.012	-0.012	0.000	0.000	0.000
192	A	241	ILE	0	-0.069	-0.027	23.646	-0.012	-0.012	0.000	0.000	0.000
193	A	242	GLN	0	-0.036	-0.035	20.627	-0.108	-0.108	0.000	0.000	0.000
194	A	243	TYR	0	0.027	0.023	20.781	-0.048	-0.048	0.000	0.000	0.000
195	A	244	CYS	0	-0.008	-0.001	24.237	0.028	0.028	0.000	0.000	0.000
196	A	245	HIS	0	0.061	0.075	26.452	-0.020	-0.020	0.000	0.000	0.000
197	A	246	PRO	0	0.014	-0.009	25.625	0.002	0.002	0.000	0.000	0.000
198	A	247	THR	0	0.086	0.024	26.464	0.008	0.008	0.000	0.000	0.000
199	A	248	VAL	0	-0.021	-0.011	26.447	0.014	0.014	0.000	0.000	0.000
200	A	249	VAL	0	0.008	0.000	21.634	0.009	0.009	0.000	0.000	0.000
201	A	250	TYR	0	0.031	0.013	24.030	0.011	0.011	0.000	0.000	0.000
202	A	251	ASN	0	0.042	0.024	26.147	0.027	0.027	0.000	0.000	0.000
203	A	252	TYR	0	-0.016	-0.011	19.869	0.017	0.017	0.000	0.000	0.000
204	A	253	LEU	0	-0.008	-0.012	19.565	0.022	0.022	0.000	0.000	0.000
205	A	254	SER	0	-0.025	-0.009	23.280	0.035	0.035	0.000	0.000	0.000
206	A	255	SER	0	-0.022	0.000	26.536	0.024	0.024	0.000	0.000	0.000
207	A	256	ARG	1	0.835	0.934	20.701	0.184	0.184	0.000	0.000	0.000
208	A	257	ALA	0	0.017	0.026	23.998	0.011	0.011	0.000	0.000	0.000
209	A	258	PRO	0	-0.002	0.007	23.572	0.009	0.009	0.000	0.000	0.000
210	A	259	ASN	0	0.044	-0.007	26.459	-0.014	-0.014	0.000	0.000	0.000
211	A	260	PHE	0	-0.049	-0.038	23.095	-0.005	-0.005	0.000	0.000	0.000
212	A	261	LEU	0	-0.022	-0.011	21.254	0.018	0.018	0.000	0.000	0.000
213	A	262	ARG	1	0.919	0.977	24.831	0.010	0.010	0.000	0.000	0.000
214	A	263	LEU	0	0.021	0.001	22.036	0.000	0.000	0.000	0.000	0.000
215	A	264	ASP	-1	-0.831	-0.936	23.730	-0.097	-0.097	0.000	0.000	0.000
216	A	265	ASP	-1	-0.858	-0.922	25.392	-0.070	-0.070	0.000	0.000	0.000
217	A	266	GLN	0	-0.015	-0.022	27.286	-0.018	-0.018	0.000	0.000	0.000
218	A	267	VAL	0	-0.033	0.001	22.789	-0.021	-0.021	0.000	0.000	0.000
219	A	268	SER	0	0.013	0.011	25.758	-0.018	-0.018	0.000	0.000	0.000
220	A	269	LEU	0	0.020	0.017	28.056	-0.005	-0.005	0.000	0.000	0.000
221	A	270	LYS	1	0.929	0.970	25.240	0.328	0.328	0.000	0.000	0.000
222	A	271	LEU	0	-0.042	-0.049	23.580	-0.014	-0.014	0.000	0.000	0.000
223	A	272	THR	0	-0.014	0.007	27.704	-0.001	-0.001	0.000	0.000	0.000
224	A	273	SER	0	-0.092	-0.038	31.241	0.000	0.000	0.000	0.000	0.000
225	A	274	ALA	0	0.005	0.006	29.441	-0.004	-0.004	0.000	0.000	0.000
226	A	275	GLY	0	0.052	0.028	31.473	0.011	0.011	0.000	0.000	0.000
227	A	276	ILE	0	0.001	-0.026	33.048	-0.016	-0.016	0.000	0.000	0.000
228	A	277	GLY	0	0.009	0.003	33.383	-0.002	-0.002	0.000	0.000	0.000
229	A	278	THR	0	-0.011	0.003	28.702	-0.015	-0.015	0.000	0.000	0.000
230	A	279	LEU	0	-0.032	-0.022	26.236	0.009	0.009	0.000	0.000	0.000
231	A	280	MET	0	-0.036	0.013	21.456	-0.023	-0.023	0.000	0.000	0.000
232	A	281	PRO	0	0.020	0.013	18.303	0.031	0.031	0.000	0.000	0.000
233	A	282	ARG	1	0.883	0.919	20.605	0.381	0.381	0.000	0.000	0.000
234	A	283	PRO	0	-0.065	-0.021	18.993	-0.063	-0.063	0.000	0.000	0.000
235	A	284	VAL	0	-0.008	-0.008	16.362	0.046	0.046	0.000	0.000	0.000
236	A	285	VAL	0	-0.009	-0.018	18.145	0.002	0.002	0.000	0.000	0.000
237	A	286	GLN	0	0.021	0.001	19.643	0.022	0.022	0.000	0.000	0.000
238	A	287	LEU	0	-0.001	0.044	19.447	0.003	0.003	0.000	0.000	0.000
239	A	288	LEU	0	-0.020	-0.012	14.866	-0.017	-0.017	0.000	0.000	0.000
240	A	289	ASP	-1	-0.819	-0.900	18.688	0.089	0.089	0.000	0.000	0.000
241	A	290	TYR	0	0.021	-0.028	14.911	0.036	0.036	0.000	0.000	0.000
242	A	291	ASP	-1	-0.885	-0.944	17.435	0.225	0.225	0.000	0.000	0.000
243	A	292	LEU	0	-0.047	-0.025	16.263	0.032	0.032	0.000	0.000	0.000
244	A	293	VAL	0	0.001	0.014	13.317	0.042	0.042	0.000	0.000	0.000
245	A	294	TYR	0	-0.059	-0.073	14.937	0.081	0.081	0.000	0.000	0.000
246	A	295	MET	0	-0.046	-0.015	16.965	-0.030	-0.030	0.000	0.000	0.000
247	A	296	SER	0	-0.082	-0.100	12.369	0.031	0.031	0.000	0.000	0.000
248	A	297	PRO	0	0.029	0.018	13.074	0.076	0.076	0.000	0.000	0.000
249	A	298	LEU	0	0.026	0.015	5.898	0.091	0.091	0.000	0.000	0.000
250	A	299	ALA	0	0.030	0.006	8.889	0.208	0.208	0.000	0.000	0.000
251	A	300	LEU	0	0.018	0.020	10.411	0.000	0.000	0.000	0.000	0.000
252	A	301	ASN	0	-0.014	-0.019	8.122	-0.100	-0.100	0.000	0.000	0.000
253	A	302	ASN	0	-0.048	-0.028	5.357	0.055	0.055	0.000	0.000	0.000
254	A	303	LEU	0	-0.034	0.017	8.533	-0.033	-0.033	0.000	0.000	0.000
255	A	304	ALA	0	0.061	0.005	11.781	-0.028	-0.028	0.000	0.000	0.000
256	A	305	SER	0	-0.059	-0.022	8.601	0.030	0.030	0.000	0.000	0.000
257	A	306	ARG	1	0.906	0.961	6.450	-0.483	-0.483	0.000	0.000	0.000
258	A	307	LEU	0	-0.012	0.004	10.988	-0.074	-0.074	0.000	0.000	0.000
259	A	308	LEU	0	-0.003	-0.014	14.204	-0.062	-0.062	0.000	0.000	0.000
260	A	309	ARG	1	0.881	0.947	5.782	-3.584	-3.584	0.000	0.000	0.000
261	A	310	LYS	1	0.896	0.972	13.381	-0.554	-0.554	0.000	0.000	0.000
262	A	311	ILE	0	-0.022	0.008	15.515	-0.094	-0.094	0.000	0.000	0.000
263	A	312	SER	0	-0.010	-0.006	18.840	0.041	0.041	0.000	0.000	0.000
264	A	313	LEU	0	-0.023	-0.002	21.114	-0.049	-0.049	0.000	0.000	0.000
265	A	314	HIS	0	0.008	0.003	24.858	0.033	0.033	0.000	0.000	0.000
266	A	315	LEU	0	-0.004	-0.008	27.486	-0.024	-0.024	0.000	0.000	0.000
267	A	316	VAL	0	0.000	0.016	30.698	0.010	0.010	0.000	0.000	0.000
268	A	317	MET	0	-0.036	-0.018	32.046	-0.003	-0.003	0.000	0.000	0.000
269	A	318	GLN	0	-0.005	0.010	36.269	-0.008	-0.008	0.000	0.000	0.000
270	A	319	MET	0	0.003	-0.003	38.352	0.015	0.015	0.000	0.000	0.000
271	A	320	VAL	0	0.068	0.017	37.424	-0.006	-0.006	0.000	0.000	0.000
272	A	321	THR	0	0.004	-0.002	40.031	-0.003	-0.003	0.000	0.000	0.000
273	A	322	ALA	0	0.023	0.012	43.414	-0.005	-0.005	0.000	0.000	0.000
274	A	323	VAL	0	0.037	0.035	41.474	-0.006	-0.006	0.000	0.000	0.000
275	A	324	GLN	0	-0.035	-0.014	43.203	-0.009	-0.009	0.000	0.000	0.000
276	A	325	GLN	0	-0.067	-0.050	46.093	-0.007	-0.007	0.000	0.000	0.000
277	A	326	ASP	-1	-0.782	-0.850	47.623	0.129	0.129	0.000	0.000	0.000
278	A	327	LEU	0	0.004	-0.007	45.207	-0.005	-0.005	0.000	0.000	0.000
279	A	328	GLY	0	-0.023	-0.025	49.409	-0.004	-0.004	0.000	0.000	0.000
280	A	329	GLU	-1	-0.912	-0.950	51.252	0.112	0.112	0.000	0.000	0.000
281	A	330	VAL	0	-0.068	-0.030	51.088	-0.004	-0.004	0.000	0.000	0.000
282	A	331	VAL	0	-0.079	-0.044	51.535	-0.003	-0.003	0.000	0.000	0.000
283	A	332	SER	0	-0.029	0.002	54.360	-0.004	-0.004	0.000	0.000	0.000
284	A	333	VAL	0	-0.012	-0.004	51.429	-0.001	-0.001	0.000	0.000	0.000
285	A	334	SER	0	0.024	0.024	54.826	-0.004	-0.004	0.000	0.000	0.000
286	A	335	SER	0	0.028	0.015	54.678	0.001	0.001	0.000	0.000	0.000
287	A	336	ASN	0	-0.063	-0.044	55.695	0.002	0.002	0.000	0.000	0.000
288	A	337	VAL	0	-0.024	-0.014	56.944	0.000	0.000	0.000	0.000	0.000
289	A	338	THR	0	-0.010	0.012	51.987	0.005	0.005	0.000	0.000	0.000
290	A	339	ASN	0	0.036	-0.005	52.945	-0.002	-0.002	0.000	0.000	0.000
291	A	340	PRO	0	-0.046	-0.003	50.157	0.005	0.005	0.000	0.000	0.000
292	A	341	ALA	0	0.034	0.000	49.149	0.006	0.006	0.000	0.000	0.000
293	A	342	SER	0	0.038	0.029	48.858	0.008	0.008	0.000	0.000	0.000
294	A	343	ALA	0	0.011	0.003	47.579	0.005	0.005	0.000	0.000	0.000
295	A	344	CYS	0	-0.046	-0.024	44.245	0.008	0.008	0.000	0.000	0.000
296	A	345	LEU	0	0.005	0.007	43.425	0.010	0.010	0.000	0.000	0.000
297	A	346	VAL	0	0.026	0.020	42.797	0.003	0.003	0.000	0.000	0.000
298	A	347	ARG	1	0.838	0.937	39.879	-0.189	-0.189	0.000	0.000	0.000
299	A	348	MET	0	-0.012	0.003	38.881	0.007	0.007	0.000	0.000	0.000
300	A	349	ASN	0	0.046	0.015	33.605	-0.012	-0.012	0.000	0.000	0.000
301	A	350	VAL	0	0.057	0.016	32.019	0.001	0.001	0.000	0.000	0.000
302	A	351	GLN	0	-0.004	-0.005	26.922	-0.010	-0.010	0.000	0.000	0.000
303	A	352	GLY	0	0.053	0.023	29.436	0.023	0.023	0.000	0.000	0.000
304	A	353	VAL	0	0.054	0.031	30.578	0.011	0.011	0.000	0.000	0.000
305	A	354	GLN	0	-0.051	-0.017	25.690	-0.014	-0.014	0.000	0.000	0.000
306	A	355	THR	0	0.021	-0.001	25.658	0.027	0.027	0.000	0.000	0.000
307	A	356	LEU	0	0.005	-0.002	26.501	0.012	0.012	0.000	0.000	0.000
308	A	357	ALA	0	0.031	0.020	27.737	-0.002	-0.002	0.000	0.000	0.000
309	A	358	VAL	0	0.023	0.006	21.478	0.002	0.002	0.000	0.000	0.000
310	A	359	PHE	0	-0.012	0.003	23.585	0.011	0.011	0.000	0.000	0.000
311	A	360	ILE	0	-0.008	-0.016	25.082	-0.002	-0.002	0.000	0.000	0.000
312	A	361	ALA	0	0.006	0.002	23.379	-0.015	-0.015	0.000	0.000	0.000
313	A	362	GLN	0	0.064	0.017	20.317	-0.007	-0.007	0.000	0.000	0.000
314	A	363	SER	0	-0.081	-0.027	21.899	-0.012	-0.012	0.000	0.000	0.000
315	A	364	MET	0	-0.038	-0.009	24.321	-0.030	-0.030	0.000	0.000	0.000
316	A	365	LEU	0	-0.036	-0.017	19.164	-0.021	-0.021	0.000	0.000	0.000
317	A	366	ASN	0	0.037	-0.005	18.122	-0.036	-0.036	0.000	0.000	0.000
318	A	367	PRO	0	-0.019	0.004	21.186	0.035	0.035	0.000	0.000	0.000
319	A	368	ASN	0	-0.051	-0.029	20.142	-0.017	-0.017	0.000	0.000	0.000
320	A	369	ILE	0	0.007	0.020	16.017	0.031	0.031	0.000	0.000	0.000
321	A	370	SER	0	-0.043	-0.035	18.573	0.024	0.024	0.000	0.000	0.000
322	A	371	TYR	0	0.036	0.034	21.028	-0.034	-0.034	0.000	0.000	0.000
323	A	372	GLY	0	0.009	0.001	24.451	0.032	0.032	0.000	0.000	0.000
324	A	373	MET	0	-0.072	-0.035	26.988	-0.033	-0.033	0.000	0.000	0.000
325	A	374	ILE	0	0.021	-0.004	29.459	0.006	0.006	0.000	0.000	0.000
326	A	375	SER	0	0.002	0.004	32.758	-0.013	-0.013	0.000	0.000	0.000
327	A	376	GLY	0	0.035	0.017	34.756	-0.009	-0.009	0.000	0.000	0.000
328	A	377	LEU	0	0.031	0.017	36.142	-0.009	-0.009	0.000	0.000	0.000
329	A	378	THR	0	-0.004	-0.001	39.555	-0.004	-0.004	0.000	0.000	0.000
330	A	379	LEU	0	0.026	0.025	42.890	0.001	0.001	0.000	0.000	0.000
331	A	380	ASP	-1	-0.835	-0.949	45.374	0.140	0.140	0.000	0.000	0.000
332	A	381	CYS	0	0.015	0.030	42.904	-0.002	-0.002	0.000	0.000	0.000
333	A	382	PHE	0	0.011	-0.005	42.250	0.000	0.000	0.000	0.000	0.000
334	A	383	SER	0	0.001	0.023	46.264	-0.006	-0.006	0.000	0.000	0.000
335	A	384	ASN	0	-0.081	-0.033	45.256	-0.007	-0.007	0.000	0.000	0.000
336	A	385	PHE	0	0.047	-0.007	46.116	0.007	0.007	0.000	0.000	0.000
337	A	386	ILE	0	0.060	0.050	43.283	0.003	0.003	0.000	0.000	0.000
338	A	387	TYR	0	-0.001	-0.010	37.806	0.001	0.001	0.000	0.000	0.000
339	A	388	GLY	0	-0.006	0.000	41.726	0.006	0.006	0.000	0.000	0.000
340	A	389	ALA	0	0.025	-0.019	42.726	0.003	0.003	0.000	0.000	0.000
341	A	390	CYS	0	-0.046	-0.018	38.897	0.003	0.003	0.000	0.000	0.000
342	A	391	LEU	0	-0.003	0.007	36.878	0.008	0.008	0.000	0.000	0.000
343	A	392	MET	0	-0.039	-0.025	38.414	0.000	0.000	0.000	0.000	0.000
344	A	393	LEU	0	0.018	0.012	38.753	-0.001	-0.001	0.000	0.000	0.000
345	A	394	PHE	0	0.058	0.018	30.520	0.003	0.003	0.000	0.000	0.000
346	A	395	GLN	0	0.004	0.005	34.546	0.001	0.001	0.000	0.000	0.000
347	A	396	ALA	0	-0.032	-0.021	36.100	-0.005	-0.005	0.000	0.000	0.000
348	A	397	LEU	0	-0.078	-0.031	31.887	-0.002	-0.002	0.000	0.000	0.000
349	A	398	ILE	0	0.006	0.006	29.631	0.018	0.018	0.000	0.000	0.000
350	A	399	PRO	0	0.026	0.030	27.864	-0.020	-0.020	0.000	0.000	0.000
351	A	400	PRO	0	0.041	0.012	30.518	0.014	0.014	0.000	0.000	0.000
352	A	401	SER	0	0.024	-0.005	26.415	0.002	0.002	0.000	0.000	0.000
353	A	402	ALA	0	0.008	0.035	26.532	0.019	0.019	0.000	0.000	0.000
354	A	403	LEU	0	0.011	0.007	27.618	0.016	0.016	0.000	0.000	0.000
355	A	404	THR	0	0.017	0.010	29.388	-0.005	-0.005	0.000	0.000	0.000
356	A	405	ALA	0	0.051	0.029	30.315	-0.012	-0.012	0.000	0.000	0.000
357	A	406	ARG	1	0.940	0.986	32.073	-0.256	-0.256	0.000	0.000	0.000
358	A	407	GLN	0	0.039	0.007	32.099	0.004	0.004	0.000	0.000	0.000
359	A	408	ARG	1	0.781	0.879	30.972	-0.239	-0.239	0.000	0.000	0.000
360	A	409	LEU	0	0.066	0.028	35.893	-0.009	-0.009	0.000	0.000	0.000
361	A	410	ASP	-1	-0.870	-0.939	37.737	0.189	0.189	0.000	0.000	0.000
362	A	411	ILE	0	-0.035	-0.010	36.330	-0.009	-0.009	0.000	0.000	0.000
363	A	412	ASN	0	0.025	0.017	40.120	-0.002	-0.002	0.000	0.000	0.000
364	A	413	ASN	0	0.037	0.011	42.430	-0.013	-0.013	0.000	0.000	0.000
365	A	414	ARG	1	0.814	0.895	41.613	-0.181	-0.181	0.000	0.000	0.000
366	A	415	PHE	0	0.017	0.004	44.258	-0.006	-0.006	0.000	0.000	0.000
367	A	416	ALA	0	0.048	0.017	46.000	-0.006	-0.006	0.000	0.000	0.000
368	A	417	TYR	0	-0.046	-0.018	47.872	-0.005	-0.005	0.000	0.000	0.000
369	A	418	PHE	0	0.010	-0.005	48.485	-0.005	-0.005	0.000	0.000	0.000
370	A	419	LEU	0	-0.051	-0.014	49.656	-0.005	-0.005	0.000	0.000	0.000
371	A	420	ILE	0	-0.009	-0.006	52.127	-0.005	-0.005	0.000	0.000	0.000
372	A	421	LYS	1	0.888	0.953	52.235	-0.125	-0.125	0.000	0.000	0.000
373	A	422	CYS	0	-0.039	-0.018	53.796	-0.001	-0.001	0.000	0.000	0.000
374	A	423	HIS	0	-0.013	-0.015	52.869	-0.006	-0.006	0.000	0.000	0.000
375	A	424	ALA	0	0.015	0.019	56.519	-0.003	-0.003	0.000	0.000	0.000
376	A	425	THR	0	0.008	0.008	58.304	-0.001	-0.001	0.000	0.000	0.000
377	A	426	GLN	0	0.042	0.022	61.644	0.002	0.002	0.000	0.000	0.000
378	A	427	ALA	0	0.002	-0.022	63.802	0.000	0.000	0.000	0.000	0.000
379	A	428	THR	0	-0.029	-0.020	58.653	-0.001	-0.001	0.000	0.000	0.000
380	A	429	THR	0	0.050	0.015	58.828	0.001	0.001	0.000	0.000	0.000
381	A	430	ALA	0	0.007	0.003	59.874	0.000	0.000	0.000	0.000	0.000
382	A	431	ARG	1	0.823	0.914	59.474	-0.078	-0.078	0.000	0.000	0.000
383	A	432	LEU	0	0.005	-0.001	55.397	-0.001	-0.001	0.000	0.000	0.000
384	A	433	VAL	0	0.020	-0.001	58.372	0.000	0.000	0.000	0.000	0.000
385	A	434	ALA	0	-0.027	-0.004	59.368	0.000	0.000	0.000	0.000	0.000
386	A	435	ASN	0	-0.097	-0.046	59.581	-0.003	-0.003	0.000	0.000	0.000
387	A	436	GLN	0	-0.012	0.000	56.721	0.001	0.001	0.000	0.000	0.000
388	A	437	VAL	0	-0.018	0.024	53.435	0.002	0.002	0.000	0.000	0.000
389	A	438	ILE	0	-0.008	-0.021	51.286	0.005	0.005	0.000	0.000	0.000
390	A	439	TYR	0	0.021	0.016	51.927	-0.003	-0.003	0.000	0.000	0.000
391	A	440	PRO	0	0.033	0.005	54.781	0.002	0.002	0.000	0.000	0.000
392	A	441	VAL	0	0.015	-0.005	53.756	0.003	0.003	0.000	0.000	0.000
393	A	442	ASP	-1	-0.894	-0.941	54.295	0.098	0.098	0.000	0.000	0.000
394	A	443	ALA	0	0.015	0.035	54.212	0.001	0.001	0.000	0.000	0.000
395	A	444	ILE	0	-0.025	-0.041	49.578	0.004	0.004	0.000	0.000	0.000
396	A	445	ASP	-1	-0.881	-0.960	49.334	0.118	0.118	0.000	0.000	0.000
397	A	446	GLN	0	-0.057	-0.021	49.003	0.002	0.002	0.000	0.000	0.000
398	A	447	TRP	0	-0.045	-0.024	48.049	0.003	0.003	0.000	0.000	0.000
399	A	448	GLN	0	-0.068	-0.015	44.090	0.013	0.013	0.000	0.000	0.000
400	A	449	SER	0	-0.030	-0.039	40.995	-0.007	-0.007	0.000	0.000	0.000
401	A	450	ASN	0	0.011	-0.002	42.061	-0.001	-0.001	0.000	0.000	0.000
402	A	451	GLY	0	0.013	0.001	40.970	-0.004	-0.004	0.000	0.000	0.000
403	A	452	ARG	1	0.906	0.977	42.012	-0.108	-0.108	0.000	0.000	0.000
404	A	453	ASP	-1	-0.791	-0.909	42.382	0.147	0.147	0.000	0.000	0.000
405	A	454	VAL	0	0.023	0.001	44.347	-0.006	-0.006	0.000	0.000	0.000
406	A	455	LEU	0	-0.006	0.017	44.672	-0.006	-0.006	0.000	0.000	0.000
407	A	456	VAL	0	-0.001	0.003	44.435	-0.006	-0.006	0.000	0.000	0.000
408	A	457	ALA	0	0.015	0.010	47.505	-0.006	-0.006	0.000	0.000	0.000
409	A	458	ILE	0	-0.019	-0.017	50.470	-0.005	-0.005	0.000	0.000	0.000
410	A	459	TYR	0	-0.057	-0.050	48.378	-0.006	-0.006	0.000	0.000	0.000
411	A	460	ASN	0	-0.053	-0.030	50.908	-0.001	-0.001	0.000	0.000	0.000
412	A	461	ASN	0	-0.057	-0.023	52.923	-0.002	-0.002	0.000	0.000	0.000
413	A	462	LEU	0	-0.003	0.008	54.182	-0.002	-0.002	0.000	0.000	0.000
414	A	463	LEU	0	-0.025	-0.019	57.318	-0.003	-0.003	0.000	0.000	0.000
415	A	464	PRO	0	0.013	-0.008	60.395	0.002	0.002	0.000	0.000	0.000
416	A	465	GLY	0	0.017	0.005	61.635	0.001	0.001	0.000	0.000	0.000
417	A	466	GLU	-1	-0.760	-0.835	59.410	0.080	0.080	0.000	0.000	0.000
418	A	467	LEU	0	0.015	-0.004	58.582	0.004	0.004	0.000	0.000	0.000
419	A	468	VAL	0	0.039	0.016	56.788	0.003	0.003	0.000	0.000	0.000
420	A	469	LEU	0	0.047	0.016	53.897	0.004	0.004	0.000	0.000	0.000
421	A	470	THR	0	0.030	0.003	53.389	0.004	0.004	0.000	0.000	0.000
422	A	471	ASN	0	-0.009	0.021	53.080	0.001	0.001	0.000	0.000	0.000
423	A	472	LEU	0	-0.001	-0.004	50.409	0.004	0.004	0.000	0.000	0.000
424	A	473	ILE	0	0.031	0.013	48.456	0.006	0.006	0.000	0.000	0.000
425	A	474	GLN	0	0.000	0.019	47.848	0.004	0.004	0.000	0.000	0.000
426	A	475	THR	0	-0.001	-0.004	47.170	0.002	0.002	0.000	0.000	0.000
427	A	476	TYR	0	-0.044	-0.036	41.156	0.008	0.008	0.000	0.000	0.000
428	A	477	PHE	0	-0.049	-0.037	42.616	0.007	0.007	0.000	0.000	0.000
429	A	478	ARG	1	0.875	0.943	39.710	-0.147	-0.147	0.000	0.000	0.000
430	A	479	GLY	0	0.019	0.021	44.781	-0.002	-0.002	0.000	0.000	0.000
431	A	480	ASN	0	-0.072	-0.040	43.290	-0.006	-0.006	0.000	0.000	0.000
432	A	481	THR	0	0.049	0.022	46.926	0.002	0.002	0.000	0.000	0.000
433	A	482	ALA	0	0.026	0.011	48.156	0.004	0.004	0.000	0.000	0.000
434	A	483	GLN	0	0.049	0.006	48.320	0.004	0.004	0.000	0.000	0.000
435	A	484	GLN	0	0.035	0.040	45.301	-0.002	-0.002	0.000	0.000	0.000
436	A	485	ALA	0	-0.017	-0.016	43.842	0.005	0.005	0.000	0.000	0.000
437	A	486	ALA	0	0.014	-0.007	43.293	0.007	0.007	0.000	0.000	0.000
438	A	487	GLU	-1	-0.858	-0.911	42.340	0.103	0.103	0.000	0.000	0.000
439	A	488	ILE	0	-0.038	-0.025	38.600	0.008	0.008	0.000	0.000	0.000
440	A	489	LEU	0	-0.087	-0.029	36.105	-0.004	-0.004	0.000	0.000	0.000
441	A	490	ILE	0	0.023	-0.006	31.252	-0.001	-0.001	0.000	0.000	0.000
442	A	491	PRO	0	0.038	0.029	35.294	0.004	0.004	0.000	0.000	0.000
443	A	492	ALA	0	0.069	0.028	34.668	0.007	0.007	0.000	0.000	0.000
444	A	493	ASP	-1	-0.978	-0.985	33.476	0.136	0.136	0.000	0.000	0.000
445	A	494	GLN	0	-0.034	-0.021	31.820	0.002	0.002	0.000	0.000	0.000
446	A	495	THR	0	-0.046	-0.015	29.169	0.013	0.013	0.000	0.000	0.000
447	A	496	SER	0	-0.050	-0.037	25.101	-0.008	-0.008	0.000	0.000	0.000
448	A	497	TYR	0	-0.073	-0.058	27.712	0.008	0.008	0.000	0.000	0.000
449	A	498	GLY	0	0.000	0.016	29.949	-0.005	-0.005	0.000	0.000	0.000
450	A	499	ALA	0	-0.012	-0.019	33.388	-0.008	-0.008	0.000	0.000	0.000
451	A	500	ASN	0	-0.002	-0.001	34.493	0.002	0.002	0.000	0.000	0.000
452	A	501	GLU	-1	-0.714	-0.799	32.201	0.217	0.217	0.000	0.000	0.000
453	A	502	THR	0	0.055	0.022	35.910	-0.006	-0.006	0.000	0.000	0.000
454	A	503	ARG	1	0.917	0.950	37.978	-0.107	-0.107	0.000	0.000	0.000
455	A	504	ALA	0	0.005	0.011	39.711	0.006	0.006	0.000	0.000	0.000
456	A	505	LEU	0	-0.030	0.009	36.262	0.005	0.005	0.000	0.000	0.000
457	A	506	SER	0	-0.044	-0.029	35.594	0.017	0.017	0.000	0.000	0.000
458	A	507	ALA	0	0.004	-0.004	36.631	0.004	0.004	0.000	0.000	0.000
459	A	508	PRO	0	-0.059	-0.009	38.383	-0.002	-0.002	0.000	0.000	0.000
460	A	509	TYR	0	0.007	-0.016	34.220	0.007	0.007	0.000	0.000	0.000
461	A	510	LEU	0	0.012	0.010	31.540	-0.005	-0.005	0.000	0.000	0.000
462	A	511	PHE	0	0.029	0.009	34.446	-0.007	-0.007	0.000	0.000	0.000
463	A	512	GLY	0	-0.037	-0.004	37.011	-0.011	-0.011	0.000	0.000	0.000
464	A	513	ALA	0	-0.026	-0.007	35.264	-0.009	-0.009	0.000	0.000	0.000
465	A	514	PRO	0	0.010	-0.018	35.670	0.010	0.010	0.000	0.000	0.000
466	A	515	ILE	0	0.026	0.004	29.710	0.003	0.003	0.000	0.000	0.000
467	A	516	ASN	0	-0.009	-0.012	30.678	0.006	0.006	0.000	0.000	0.000
468	A	517	MET	0	-0.038	-0.006	31.319	-0.005	-0.005	0.000	0.000	0.000
469	A	518	LEU	0	-0.028	0.000	28.537	-0.004	-0.004	0.000	0.000	0.000
470	A	519	ALA	0	0.041	0.019	31.390	-0.005	-0.005	0.000	0.000	0.000
471	A	520	PRO	0	0.008	0.007	29.088	0.013	0.013	0.000	0.000	0.000
472	A	521	ASP	-1	-0.777	-0.862	27.803	0.158	0.158	0.000	0.000	0.000
473	A	522	ALA	0	-0.021	-0.021	28.131	0.002	0.002	0.000	0.000	0.000
474	A	523	ARG	1	0.835	0.896	28.898	-0.176	-0.176	0.000	0.000	0.000
475	A	524	LEU	0	0.005	0.002	25.525	-0.010	-0.010	0.000	0.000	0.000
476	A	525	SER	0	-0.035	-0.018	27.196	-0.014	-0.014	0.000	0.000	0.000
477	A	526	THR	0	0.028	-0.006	27.561	-0.004	-0.004	0.000	0.000	0.000
478	A	527	TYR	0	0.033	0.017	24.209	-0.002	-0.002	0.000	0.000	0.000
479	A	528	LYS	1	0.850	0.924	20.967	-0.171	-0.171	0.000	0.000	0.000
480	A	529	ARG	1	0.945	0.963	24.117	-0.055	-0.055	0.000	0.000	0.000
481	A	530	ASP	-1	-0.894	-0.934	26.103	-0.043	-0.043	0.000	0.000	0.000
482	A	531	LEU	0	-0.105	-0.049	21.719	-0.028	-0.028	0.000	0.000	0.000
483	A	532	ALA	0	0.033	0.019	21.451	-0.035	-0.035	0.000	0.000	0.000
484	A	533	LEU	0	-0.059	-0.023	17.643	-0.004	-0.004	0.000	0.000	0.000
485	A	534	PRO	0	-0.035	-0.019	18.153	-0.004	-0.004	0.000	0.000	0.000
486	A	535	ASP	-1	-0.887	-0.946	20.863	0.081	0.081	0.000	0.000	0.000
487	A	536	ARG	1	0.898	0.971	17.187	-0.250	-0.250	0.000	0.000	0.000
488	A	537	SER	0	-0.010	-0.011	23.153	-0.005	-0.005	0.000	0.000	0.000
489	A	538	PRO	0	0.028	0.022	22.608	0.013	0.013	0.000	0.000	0.000
490	A	539	ILE	0	0.003	-0.003	24.481	-0.027	-0.027	0.000	0.000	0.000
491	A	540	LEU	0	-0.042	-0.006	27.402	0.008	0.008	0.000	0.000	0.000
492	A	541	ILE	0	-0.011	-0.008	29.199	-0.004	-0.004	0.000	0.000	0.000
493	A	542	THR	0	-0.060	-0.055	31.306	-0.006	-0.006	0.000	0.000	0.000
494	A	543	THR	0	0.046	0.035	33.939	0.004	0.004	0.000	0.000	0.000
495	A	544	VAL	0	-0.032	-0.025	33.721	0.005	0.005	0.000	0.000	0.000
496	A	545	GLU	-1	-0.929	-0.968	36.883	0.095	0.095	0.000	0.000	0.000
497	A	546	GLY	0	0.004	-0.017	39.978	0.001	0.001	0.000	0.000	0.000
498	A	547	GLN	0	-0.009	0.014	40.574	-0.002	-0.002	0.000	0.000	0.000
499	A	548	ASN	0	-0.018	-0.036	36.046	0.000	0.000	0.000	0.000	0.000
500	A	549	SER	0	-0.013	0.016	38.619	0.004	0.004	0.000	0.000	0.000
501	A	550	ILE	0	0.004	-0.006	34.427	0.001	0.001	0.000	0.000	0.000
502	A	551	SER	0	0.069	0.057	37.923	-0.002	-0.002	0.000	0.000	0.000
503	A	552	ILE	0	0.008	-0.010	38.203	0.009	0.009	0.000	0.000	0.000
504	A	553	GLU	-1	-0.954	-0.982	40.242	0.127	0.127	0.000	0.000	0.000
505	A	554	ASN	0	0.040	0.016	36.204	-0.011	-0.011	0.000	0.000	0.000
506	A	555	LEU	0	0.041	0.019	37.123	-0.003	-0.003	0.000	0.000	0.000
507	A	556	ARG	1	0.943	0.978	40.800	-0.121	-0.121	0.000	0.000	0.000
508	A	557	HIS	0	0.023	0.016	42.552	-0.005	-0.005	0.000	0.000	0.000
509	A	558	LYS	1	0.912	0.964	40.115	-0.172	-0.172	0.000	0.000	0.000
510	A	559	THR	0	0.003	0.008	43.587	0.000	0.000	0.000	0.000	0.000
511	A	560	GLY	0	-0.027	-0.021	45.776	-0.003	-0.003	0.000	0.000	0.000
512	A	561	LEU	0	-0.011	-0.003	44.997	-0.004	-0.004	0.000	0.000	0.000
513	A	562	ILE	0	0.003	0.016	43.439	-0.002	-0.002	0.000	0.000	0.000
514	A	563	ARG	1	0.949	0.971	47.741	-0.115	-0.115	0.000	0.000	0.000
515	A	564	ALA	0	-0.024	-0.021	51.053	-0.004	-0.004	0.000	0.000	0.000
516	A	565	MET	0	-0.018	0.012	46.247	-0.001	-0.001	0.000	0.000	0.000
517	A	566	TYR	0	-0.040	-0.043	47.224	0.004	0.004	0.000	0.000	0.000
518	A	567	LEU	0	-0.040	-0.015	51.974	-0.003	-0.003	0.000	0.000	0.000
519	A	568	ASN	0	-0.019	0.008	54.932	-0.005	-0.005	0.000	0.000	0.000
520	A	569	GLY	0	0.044	0.019	56.709	-0.003	-0.003	0.000	0.000	0.000
521	A	570	PHE	0	-0.060	-0.027	53.582	0.001	0.001	0.000	0.000	0.000
522	A	571	VAL	0	-0.030	0.022	58.497	-0.004	-0.004	0.000	0.000	0.000
523	A	572	THR	0	-0.010	-0.022	58.402	-0.004	-0.004	0.000	0.000	0.000
524	A	573	GLN	0	-0.040	-0.022	57.488	0.006	0.006	0.000	0.000	0.000
525	A	574	PRO	0	0.048	0.018	53.264	-0.001	-0.001	0.000	0.000	0.000
526	A	575	PRO	0	0.057	0.026	54.327	-0.002	-0.002	0.000	0.000	0.000
527	A	576	ALA	0	-0.010	-0.015	52.842	-0.002	-0.002	0.000	0.000	0.000
528	A	577	TRP	0	-0.001	-0.022	52.220	0.000	0.000	0.000	0.000	0.000
529	A	578	ILE	0	0.027	0.047	56.913	-0.003	-0.003	0.000	0.000	0.000
530	A	579	ARG	1	0.951	0.956	59.680	-0.099	-0.099	0.000	0.000	0.000
531	A	580	ASN	0	-0.014	-0.001	55.870	-0.001	-0.001	0.000	0.000	0.000
532	A	581	ALA	0	0.070	0.048	56.824	0.003	0.003	0.000	0.000	0.000
533	A	582	ASN	0	0.029	0.010	57.365	0.002	0.002	0.000	0.000	0.000
534	A	583	SER	0	0.027	0.006	54.835	0.003	0.003	0.000	0.000	0.000
535	A	584	ASN	0	-0.002	-0.014	52.780	0.004	0.004	0.000	0.000	0.000
536	A	585	THR	0	0.033	0.013	52.675	0.004	0.004	0.000	0.000	0.000
537	A	586	ALA	0	-0.010	0.009	53.707	0.001	0.001	0.000	0.000	0.000
538	A	587	LEU	0	0.057	0.031	47.374	0.002	0.002	0.000	0.000	0.000
539	A	588	LEU	0	-0.022	-0.021	47.866	0.005	0.005	0.000	0.000	0.000
540	A	589	SER	0	-0.007	-0.007	49.280	0.001	0.001	0.000	0.000	0.000
541	A	590	ARG	1	0.860	0.914	47.214	-0.135	-0.135	0.000	0.000	0.000
542	A	591	PHE	0	-0.021	-0.026	41.704	0.003	0.003	0.000	0.000	0.000
543	A	592	LEU	0	-0.046	-0.037	45.368	0.004	0.004	0.000	0.000	0.000
544	A	593	ASP	-1	-0.953	-0.964	46.705	0.117	0.117	0.000	0.000	0.000
545	A	594	ALA	0	-0.018	-0.004	43.811	-0.001	-0.001	0.000	0.000	0.000
546	A	595	THR	0	0.014	0.013	41.683	0.007	0.007	0.000	0.000	0.000
547	A	596	PRO	0	-0.012	-0.007	40.615	0.009	0.009	0.000	0.000	0.000
548	A	597	ASN	0	0.067	0.041	39.689	0.000	0.000	0.000	0.000	0.000
549	A	598	LEU	0	-0.030	-0.028	35.680	0.010	0.010	0.000	0.000	0.000
550	A	599	LEU	0	-0.033	-0.009	35.489	0.012	0.012	0.000	0.000	0.000
551	A	600	GLY	0	0.014	-0.005	34.745	0.004	0.004	0.000	0.000	0.000
552	A	601	ILE	0	0.004	-0.002	30.011	0.012	0.012	0.000	0.000	0.000
553	A	602	TYR	0	0.028	0.005	30.575	0.005	0.005	0.000	0.000	0.000
554	A	603	GLH	0	-0.059	-0.069	31.333	0.004	0.004	0.000	0.000	0.000
555	A	604	ALA	0	0.012	0.010	27.848	0.003	0.003	0.000	0.000	0.000
556	A	605	ILE	0	-0.023	0.001	26.351	0.020	0.020	0.000	0.000	0.000
557	A	606	LEU	0	0.013	-0.009	26.800	0.003	0.003	0.000	0.000	0.000
558	A	607	ALA	0	-0.029	0.005	27.716	-0.017	-0.017	0.000	0.000	0.000
559	A	608	ASN	0	-0.004	-0.003	22.957	-0.034	-0.034	0.000	0.000	0.000
560	A	609	THR	0	0.013	-0.010	24.189	0.011	0.011	0.000	0.000	0.000
561	A	610	TYR	0	0.076	0.012	23.683	0.004	0.004	0.000	0.000	0.000
562	A	611	ALA	0	-0.053	-0.026	19.819	-0.004	-0.004	0.000	0.000	0.000
563	A	612	ASN	0	0.025	0.017	19.629	0.061	0.061	0.000	0.000	0.000
564	A	613	ALA	0	0.011	0.004	21.259	0.011	0.011	0.000	0.000	0.000
565	A	614	VAL	0	-0.013	-0.006	19.782	-0.012	-0.012	0.000	0.000	0.000
566	A	615	ASN	0	-0.032	-0.019	15.815	0.026	0.026	0.000	0.000	0.000
567	A	616	VAL	0	0.020	0.001	13.565	-0.016	-0.016	0.000	0.000	0.000
568	A	617	TYR	0	0.002	-0.009	13.146	0.014	0.014	0.000	0.000	0.000
569	A	618	CYS	0	-0.059	-0.007	15.588	0.007	0.007	0.000	0.000	0.000
570	A	619	ASP	-1	-0.770	-0.881	19.307	0.234	0.234	0.000	0.000	0.000
571	A	620	SER	0	0.021	-0.005	21.843	0.013	0.013	0.000	0.000	0.000
572	A	621	VAL	0	-0.047	0.001	24.639	-0.012	-0.012	0.000	0.000	0.000
573	A	622	TYR	0	-0.025	-0.055	24.865	0.030	0.030	0.000	0.000	0.000
574	A	623	ARG	1	0.896	0.967	22.008	-0.261	-0.261	0.000	0.000	0.000
575	A	624	ALA	0	0.029	0.000	24.716	0.023	0.023	0.000	0.000	0.000
576	A	625	ASP	-1	-0.923	-0.960	24.602	0.238	0.238	0.000	0.000	0.000
577	A	626	ILE	0	-0.033	-0.009	19.983	0.013	0.013	0.000	0.000	0.000
578	A	627	PRO	0	0.010	0.007	20.357	-0.006	-0.006	0.000	0.000	0.000
579	A	628	ILE	0	0.031	0.021	21.220	0.040	0.040	0.000	0.000	0.000
580	A	629	GLU	-1	-0.911	-0.969	20.490	0.387	0.387	0.000	0.000	0.000
581	A	630	TRP	0	-0.061	-0.053	16.938	0.061	0.061	0.000	0.000	0.000
582	A	631	LYS	1	0.940	0.997	16.912	-0.303	-0.303	0.000	0.000	0.000
583	A	632	LEU	0	-0.029	-0.008	14.971	0.006	0.006	0.000	0.000	0.000
584	A	633	HIS	0	-0.007	-0.011	19.148	-0.047	-0.047	0.000	0.000	0.000
585	A	634	GLN	0	0.018	0.016	22.489	0.042	0.042	0.000	0.000	0.000
586	A	635	SER	0	-0.024	-0.019	24.546	-0.039	-0.039	0.000	0.000	0.000
587	A	636	VAL	0	-0.012	0.002	28.165	0.017	0.017	0.000	0.000	0.000
588	A	637	ASP	-1	-0.823	-0.923	30.445	0.247	0.247	0.000	0.000	0.000
589	A	638	PRO	0	-0.008	-0.012	34.052	0.000	0.000	0.000	0.000	0.000
590	A	639	GLN	0	0.012	-0.002	36.087	-0.017	-0.017	0.000	0.000	0.000
591	A	640	ASP	-1	-0.859	-0.909	32.794	0.307	0.307	0.000	0.000	0.000
592	A	641	LEU	0	-0.077	-0.044	34.295	0.001	0.001	0.000	0.000	0.000
593	A	642	LEU	0	0.024	0.001	35.905	-0.011	-0.011	0.000	0.000	0.000
594	A	643	PHE	0	0.002	-0.009	35.673	-0.008	-0.008	0.000	0.000	0.000
595	A	644	GLY	0	0.043	0.022	35.815	-0.003	-0.003	0.000	0.000	0.000
596	A	645	VAL	0	-0.036	-0.009	36.544	-0.005	-0.005	0.000	0.000	0.000
597	A	646	PHE	0	-0.014	-0.020	39.721	-0.010	-0.010	0.000	0.000	0.000
598	A	647	GLY	0	0.014	-0.001	38.445	-0.007	-0.007	0.000	0.000	0.000
599	A	648	ILE	0	-0.046	-0.027	33.548	0.001	0.001	0.000	0.000	0.000
600	A	649	VAL	0	0.003	0.007	36.640	-0.012	-0.012	0.000	0.000	0.000
601	A	650	PRO	0	-0.029	-0.003	36.576	0.008	0.008	0.000	0.000	0.000
602	A	651	GLN	0	0.086	0.049	34.625	-0.007	-0.007	0.000	0.000	0.000
603	A	652	TYR	0	-0.021	0.003	36.876	0.003	0.003	0.000	0.000	0.000
604	A	653	GLN	0	0.007	0.005	36.816	-0.005	-0.005	0.000	0.000	0.000
605	A	654	ILE	0	0.014	0.017	30.502	0.009	0.009	0.000	0.000	0.000
606	A	655	LEU	0	0.027	0.005	31.971	-0.010	-0.010	0.000	0.000	0.000
607	A	656	ASN	0	-0.036	-0.028	26.917	-0.017	-0.017	0.000	0.000	0.000
608	A	657	GLU	-1	-0.847	-0.905	26.073	0.147	0.147	0.000	0.000	0.000
609	A	658	ALA	0	-0.029	-0.007	20.698	-0.002	-0.002	0.000	0.000	0.000
610	A	659	VAL	0	0.009	-0.018	18.202	-0.018	-0.018	0.000	0.000	0.000
611	A	660	PRO	0	0.021	0.022	18.132	0.062	0.062	0.000	0.000	0.000
612	A	661	ASP	-1	-0.834	-0.932	13.187	0.537	0.537	0.000	0.000	0.000
613	A	662	PHE	0	-0.042	-0.013	14.495	-0.091	-0.091	0.000	0.000	0.000
614	A	663	PHE	0	-0.004	-0.024	14.107	0.051	0.051	0.000	0.000	0.000
615	A	664	ALA	0	-0.028	0.003	10.221	-0.060	-0.060	0.000	0.000	0.000
616	A	665	GLY	0	-0.022	-0.040	7.908	0.171	0.171	0.000	0.000	0.000
617	A	666	GLY	0	0.022	0.028	8.981	0.164	0.164	0.000	0.000	0.000
618	A	667	GLU	-1	-0.864	-0.935	6.007	-0.780	-0.780	0.000	0.000	0.000
619	A	668	ASP	-1	-0.812	-0.913	6.864	1.964	1.964	0.000	0.000	0.000
620	A	669	ILE	0	-0.010	0.000	9.452	-0.048	-0.048	0.000	0.000	0.000
621	A	670	LEU	0	0.003	0.017	12.197	-0.031	-0.031	0.000	0.000	0.000
622	A	671	ILE	0	0.010	-0.002	8.442	-0.080	-0.080	0.000	0.000	0.000
623	A	672	LEU	0	0.010	0.003	11.864	-0.035	-0.035	0.000	0.000	0.000
624	A	673	GLN	0	0.051	0.009	13.950	-0.017	-0.017	0.000	0.000	0.000
625	A	674	LEU	0	0.010	0.004	14.296	-0.012	-0.012	0.000	0.000	0.000
626	A	675	ILE	0	-0.008	0.008	12.590	-0.016	-0.016	0.000	0.000	0.000
627	A	676	ARG	1	0.813	0.910	16.535	0.042	0.042	0.000	0.000	0.000
628	A	677	ALA	0	0.001	0.005	19.417	-0.002	-0.002	0.000	0.000	0.000
629	A	678	VAL	0	0.040	0.007	18.344	0.003	0.003	0.000	0.000	0.000
630	A	679	TYR	0	-0.066	-0.062	20.523	0.008	0.008	0.000	0.000	0.000
631	A	680	ASP	-1	-0.810	-0.911	22.145	-0.100	-0.100	0.000	0.000	0.000
632	A	681	THR	0	-0.047	-0.013	24.299	0.004	0.004	0.000	0.000	0.000
633	A	682	LEU	0	-0.028	-0.015	22.810	0.007	0.007	0.000	0.000	0.000
634	A	683	SER	0	-0.057	-0.043	25.749	0.014	0.014	0.000	0.000	0.000
635	A	684	ASN	0	-0.064	-0.017	28.013	0.010	0.010	0.000	0.000	0.000
636	A	685	LYS	1	0.831	0.883	28.988	0.226	0.226	0.000	0.000	0.000
637	A	686	LEU	0	-0.038	0.000	28.681	0.004	0.004	0.000	0.000	0.000
638	A	687	GLY	0	0.011	0.019	31.574	0.008	0.008	0.000	0.000	0.000
639	A	688	ARG	1	0.939	0.953	31.987	0.091	0.091	0.000	0.000	0.000
640	A	689	ASN	0	0.063	0.067	26.441	-0.018	-0.018	0.000	0.000	0.000
641	A	690	PRO	0	0.063	0.033	25.517	0.006	0.006	0.000	0.000	0.000
642	A	691	ALA	0	-0.002	-0.003	25.680	-0.002	-0.002	0.000	0.000	0.000
643	A	692	ASP	-1	-0.967	-0.976	27.432	-0.046	-0.046	0.000	0.000	0.000
644	A	693	ILE	0	-0.073	-0.032	30.302	0.004	0.004	0.000	0.000	0.000
645	A	694	PHE	0	-0.014	-0.020	26.948	-0.006	-0.006	0.000	0.000	0.000
646	A	695	HIS	0	0.027	0.022	25.623	0.015	0.015	0.000	0.000	0.000
647	A	696	LEU	0	0.043	0.013	21.221	-0.014	-0.014	0.000	0.000	0.000
648	A	697	GLU	-1	-0.935	-0.975	20.190	-0.094	-0.094	0.000	0.000	0.000
649	A	698	GLU	-1	-0.899	-0.962	20.473	-0.259	-0.259	0.000	0.000	0.000
650	A	699	VAL	0	-0.025	0.006	21.671	-0.030	-0.030	0.000	0.000	0.000
651	A	700	PHE	0	-0.003	-0.023	16.997	-0.020	-0.020	0.000	0.000	0.000
652	A	701	LYS	1	0.968	0.998	17.576	0.252	0.252	0.000	0.000	0.000
653	A	702	VAL	0	0.031	0.018	18.326	-0.066	-0.066	0.000	0.000	0.000
654	A	703	ILE	0	-0.003	-0.013	16.222	-0.043	-0.043	0.000	0.000	0.000
655	A	704	GLU	-1	-0.909	-0.969	13.636	-0.451	-0.451	0.000	0.000	0.000
656	A	705	GLU	-1	-0.860	-0.892	14.894	-0.656	-0.656	0.000	0.000	0.000
657	A	706	ILE	0	-0.010	0.010	16.805	-0.082	-0.082	0.000	0.000	0.000
658	A	707	VAL	0	0.047	0.023	12.639	-0.084	-0.084	0.000	0.000	0.000
659	A	708	SER	0	-0.088	-0.060	12.375	-0.122	-0.122	0.000	0.000	0.000
660	A	709	VAL	0	-0.017	-0.021	13.343	-0.213	-0.213	0.000	0.000	0.000
661	A	710	LEU	0	-0.046	-0.017	16.044	-0.019	-0.019	0.000	0.000	0.000
662	A	711	VAL	0	-0.035	-0.026	10.950	0.013	0.013	0.000	0.000	0.000
663	A	712	GLN	0	-0.030	-0.001	11.401	-0.494	-0.494	0.000	0.000	0.000
664	A	713	GLN	0	0.079	0.050	4.504	-0.868	-0.729	-0.001	-0.034	-0.104
665	A	714	LYS	1	0.935	0.977	8.770	2.482	2.482	0.000	0.000	0.000
666	A	715	ILE	0	0.005	0.016	6.997	-0.204	-0.204	0.000	0.000	0.000
667	A	716	ASP	-1	-0.833	-0.939	8.686	-0.079	-0.079	0.000	0.000	0.000
668	A	717	VAL	0	-0.002	0.004	10.268	0.236	0.236	0.000	0.000	0.000
669	A	718	ARG	1	0.939	0.974	12.755	0.193	0.193	0.000	0.000	0.000
670	A	719	LYS	1	0.934	0.981	4.541	-1.705	-1.638	-0.001	-0.007	-0.059
671	A	720	TYR	0	-0.025	-0.006	7.054	0.170	0.170	0.000	0.000	0.000
672	A	721	PHE	0	-0.029	0.036	11.496	0.023	0.023	0.000	0.000	0.000
673	A	722	THR	0	0.037	0.042	12.823	-0.064	-0.064	0.000	0.000	0.000
674	A	723	GLU	-1	-0.918	-0.962	15.247	0.220	0.220	0.000	0.000	0.000
675	A	724	SER	0	0.000	0.000	16.736	0.010	0.010	0.000	0.000	0.000
676	A	725	MET	0	0.013	0.020	13.262	0.030	0.030	0.000	0.000	0.000
677	A	726	ARG	1	0.921	0.958	13.473	-0.494	-0.494	0.000	0.000	0.000
678	A	727	SER	0	-0.016	0.001	15.961	-0.019	-0.019	0.000	0.000	0.000
679	A	728	GLY	0	0.054	-0.001	14.009	0.029	0.029	0.000	0.000	0.000
680	A	729	SER	0	-0.022	-0.003	14.752	-0.053	-0.053	0.000	0.000	0.000
681	A	730	PHE	0	0.023	0.008	16.417	0.026	0.026	0.000	0.000	0.000
682	A	731	SER	0	0.059	0.034	17.898	-0.023	-0.023	0.000	0.000	0.000
683	A	732	LYS	1	0.925	0.957	20.124	-0.026	-0.026	0.000	0.000	0.000
684	A	733	PRO	0	0.031	0.014	22.306	-0.009	-0.009	0.000	0.000	0.000
685	A	734	ARG	1	0.927	0.973	17.240	-0.319	-0.319	0.000	0.000	0.000
686	A	735	TRP	0	0.006	0.008	17.322	-0.002	-0.002	0.000	0.000	0.000
687	A	736	ASP	-1	-0.838	-0.937	20.221	0.023	0.023	0.000	0.000	0.000
688	A	737	ASN	0	-0.068	-0.044	22.755	-0.024	-0.024	0.000	0.000	0.000
689	A	738	PHE	0	-0.035	-0.010	17.172	0.002	0.002	0.000	0.000	0.000
690	A	739	LEU	0	-0.033	-0.019	20.967	-0.019	-0.019	0.000	0.000	0.000
691	A	740	ARG	1	0.934	0.966	23.295	-0.056	-0.056	0.000	0.000	0.000
692	A	741	ARG	1	0.846	0.937	21.944	-0.092	-0.092	0.000	0.000	0.000
693	A	742	PRO	0	0.004	0.008	24.983	-0.016	-0.016	0.000	0.000	0.000
694	A	743	VAL	0	0.010	-0.015	22.980	0.012	0.012	0.000	0.000	0.000
695	A	744	ALA	0	-0.013	0.012	23.927	-0.006	-0.006	0.000	0.000	0.000
696	A	745	GLN	0	0.030	0.017	22.156	-0.022	-0.022	0.000	0.000	0.000
697	A	746	ARG	1	0.954	0.973	23.364	0.134	0.134	0.000	0.000	0.000
698	A	747	LEU	0	0.014	0.008	19.089	0.003	0.003	0.000	0.000	0.000
699	A	748	PRO	0	0.026	-0.002	17.582	0.011	0.011	0.000	0.000	0.000
700	A	749	ASN	0	0.032	0.004	20.862	0.002	0.002	0.000	0.000	0.000
701	A	750	LEU	0	0.046	0.031	18.012	0.011	0.011	0.000	0.000	0.000
702	A	751	TYR	0	0.050	0.006	14.967	0.030	0.030	0.000	0.000	0.000
703	A	752	SER	0	-0.003	0.012	20.759	0.016	0.016	0.000	0.000	0.000
704	A	753	VAL	0	0.048	0.026	24.235	0.015	0.015	0.000	0.000	0.000
705	A	754	ILE	0	0.003	0.003	20.174	0.009	0.009	0.000	0.000	0.000
706	A	755	MET	0	0.006	-0.010	22.099	0.007	0.007	0.000	0.000	0.000
707	A	756	THR	0	-0.021	0.004	24.694	0.029	0.029	0.000	0.000	0.000
708	A	757	GLN	0	0.006	-0.016	27.176	0.029	0.029	0.000	0.000	0.000
709	A	758	ALA	0	-0.009	0.007	25.401	0.003	0.003	0.000	0.000	0.000
710	A	759	ASP	-1	-0.804	-0.889	27.512	-0.227	-0.227	0.000	0.000	0.000
711	A	760	HIS	0	0.008	0.007	30.103	0.019	0.019	0.000	0.000	0.000
712	A	761	VAL	0	0.038	0.025	29.445	0.013	0.013	0.000	0.000	0.000
713	A	762	TYR	0	-0.021	-0.020	30.240	0.010	0.010	0.000	0.000	0.000
714	A	763	ASN	0	-0.020	-0.028	32.051	0.023	0.023	0.000	0.000	0.000
715	A	764	TYR	0	-0.039	-0.022	34.884	0.009	0.009	0.000	0.000	0.000
716	A	765	MET	0	-0.027	-0.018	32.766	0.010	0.010	0.000	0.000	0.000
717	A	766	THR	0	-0.007	-0.011	35.163	0.013	0.013	0.000	0.000	0.000
718	A	767	GLN	0	0.017	0.009	37.295	0.006	0.006	0.000	0.000	0.000
719	A	768	LEU	0	-0.078	-0.025	37.824	0.008	0.008	0.000	0.000	0.000
720	A	769	THR	0	0.005	-0.009	39.002	-0.001	-0.001	0.000	0.000	0.000
721	A	770	HIS	0	-0.045	-0.036	41.130	0.006	0.006	0.000	0.000	0.000
722	A	771	ILE	0	0.009	0.027	42.485	0.005	0.005	0.000	0.000	0.000
723	A	772	ILE	0	-0.077	-0.016	40.838	-0.001	-0.001	0.000	0.000	0.000
724	A	773	PRO	0	-0.005	-0.026	44.231	0.006	0.006	0.000	0.000	0.000
725	A	774	ILE	0	-0.032	-0.026	43.296	0.000	0.000	0.000	0.000	0.000
726	A	775	THR	0	-0.007	0.018	47.398	0.002	0.002	0.000	0.000	0.000
727	A	776	ASP	-1	-0.910	-0.955	49.494	-0.100	-0.100	0.000	0.000	0.000
728	A	777	CYS	0	-0.074	-0.037	50.660	0.006	0.006	0.000	0.000	0.000
729	A	778	PHE	0	0.032	0.017	52.822	-0.002	-0.002	0.000	0.000	0.000
730	A	779	TYR	0	0.019	-0.012	55.672	0.005	0.005	0.000	0.000	0.000
731	A	780	ILE	0	-0.019	0.000	58.574	-0.002	-0.002	0.000	0.000	0.000
732	A	781	VAL	0	-0.018	-0.031	61.243	0.003	0.003	0.000	0.000	0.000
733	A	782	LYS	1	0.869	0.962	64.669	0.056	0.056	0.000	0.000	0.000
734	A	783	ASN	0	0.007	-0.001	66.996	-0.003	-0.003	0.000	0.000	0.000
735	A	784	SER	0	-0.037	-0.022	64.531	0.000	0.000	0.000	0.000	0.000
736	A	785	GLY	0	0.099	0.044	65.384	-0.001	-0.001	0.000	0.000	0.000
737	A	786	PHE	0	-0.024	-0.003	65.538	0.002	0.002	0.000	0.000	0.000
738	A	787	VAL	0	0.020	0.017	67.110	-0.002	-0.002	0.000	0.000	0.000
739	A	788	ASP	-1	-0.781	-0.888	69.480	-0.068	-0.068	0.000	0.000	0.000
740	A	789	ARG	1	0.954	0.950	71.140	0.060	0.060	0.000	0.000	0.000
741	A	790	GLY	0	-0.038	-0.018	73.382	0.002	0.002	0.000	0.000	0.000
742	A	791	SER	0	-0.061	-0.014	70.185	0.001	0.001	0.000	0.000	0.000
743	A	792	THR	0	-0.019	-0.013	71.308	0.000	0.000	0.000	0.000	0.000
744	A	793	GLY	0	-0.010	0.011	68.075	-0.002	-0.002	0.000	0.000	0.000
745	A	794	PRO	0	0.071	0.006	62.916	0.000	0.000	0.000	0.000	0.000
746	A	795	VAL	0	-0.002	0.018	62.378	-0.002	-0.002	0.000	0.000	0.000
747	A	796	ILE	0	-0.009	-0.007	64.651	0.003	0.003	0.000	0.000	0.000
748	A	797	ALA	0	-0.013	-0.010	65.322	0.003	0.003	0.000	0.000	0.000
749	A	798	SER	0	0.003	0.006	60.920	-0.003	-0.003	0.000	0.000	0.000
750	A	799	SER	0	0.013	0.007	59.913	0.002	0.002	0.000	0.000	0.000
751	A	800	SER	0	-0.047	-0.023	59.799	0.003	0.003	0.000	0.000	0.000
752	A	801	VAL	0	-0.002	-0.010	61.938	0.002	0.002	0.000	0.000	0.000
753	A	802	TYR	0	0.046	0.024	62.261	-0.003	-0.003	0.000	0.000	0.000
754	A	803	GLU	-1	-0.899	-0.964	60.317	-0.077	-0.077	0.000	0.000	0.000
755	A	804	ASN	0	-0.015	-0.003	63.039	0.000	0.000	0.000	0.000	0.000
756	A	805	VAL	0	-0.043	-0.025	66.307	0.003	0.003	0.000	0.000	0.000
757	A	806	LEU	0	0.003	0.013	62.302	0.002	0.002	0.000	0.000	0.000
758	A	807	LYS	1	0.893	0.954	66.493	0.052	0.052	0.000	0.000	0.000
759	A	808	VAL	0	0.004	-0.006	62.850	0.000	0.000	0.000	0.000	0.000
760	A	809	VAL	0	-0.031	-0.014	65.867	0.002	0.002	0.000	0.000	0.000
761	A	810	HIS	0	0.017	0.009	64.157	0.001	0.001	0.000	0.000	0.000
762	A	811	THR	0	-0.013	-0.014	59.161	-0.003	-0.003	0.000	0.000	0.000
763	A	812	ILE	0	-0.042	-0.008	56.479	0.002	0.002	0.000	0.000	0.000
764	A	813	ALA	0	-0.007	-0.017	55.561	-0.003	-0.003	0.000	0.000	0.000
765	A	814	ASP	-1	-0.795	-0.891	50.875	-0.074	-0.074	0.000	0.000	0.000
766	A	815	PHE	0	0.040	-0.012	48.812	0.001	0.001	0.000	0.000	0.000
767	A	816	ASP	-1	-0.855	-0.914	50.179	-0.071	-0.071	0.000	0.000	0.000
768	A	817	ALA	0	-0.020	-0.009	52.072	0.003	0.003	0.000	0.000	0.000
769	A	818	ALA	0	-0.012	-0.024	54.519	0.003	0.003	0.000	0.000	0.000
770	A	819	ASN	0	-0.021	-0.008	51.649	0.002	0.002	0.000	0.000	0.000
771	A	820	ALA	0	-0.008	-0.010	54.828	0.003	0.003	0.000	0.000	0.000
772	A	821	LEU	0	-0.065	-0.032	57.017	0.003	0.003	0.000	0.000	0.000
773	A	822	ARG	1	0.853	0.938	57.097	0.068	0.068	0.000	0.000	0.000
774	A	823	LEU	0	-0.038	-0.019	54.880	0.002	0.002	0.000	0.000	0.000
775	A	824	GLN	0	-0.019	0.000	59.500	0.004	0.004	0.000	0.000	0.000
776	A	825	ARG	1	0.937	0.971	59.877	0.052	0.052	0.000	0.000	0.000
777	A	826	ARG	1	0.853	0.914	65.166	0.045	0.045	0.000	0.000	0.000
778	A	827	ARG	1	0.910	0.952	68.885	0.034	0.034	0.000	0.000	0.000
779	A	828	VAL	0	-0.052	-0.008	71.683	0.001	0.001	0.000	0.000	0.000
780	A	829	ASP	-1	-0.796	-0.894	74.150	-0.038	-0.038	0.000	0.000	0.000
781	A	830	ASN	0	-0.032	-0.025	76.195	0.000	0.000	0.000	0.000	0.000
782	A	831	THR	0	-0.088	-0.059	75.111	0.000	0.000	0.000	0.000	0.000
783	A	832	SER	0	0.017	0.022	72.166	-0.002	-0.002	0.000	0.000	0.000
784	A	833	TYR	0	0.002	-0.009	64.960	0.001	0.001	0.000	0.000	0.000
785	A	834	THR	0	0.026	0.018	67.687	-0.002	-0.002	0.000	0.000	0.000
786	A	835	ASP	-1	-0.787	-0.934	62.379	-0.057	-0.057	0.000	0.000	0.000
787	A	836	SER	0	0.019	0.008	63.310	-0.001	-0.001	0.000	0.000	0.000
788	A	837	LEU	0	0.008	0.037	58.712	0.000	0.000	0.000	0.000	0.000
789	A	838	SER	0	0.002	-0.015	62.703	-0.001	-0.001	0.000	0.000	0.000
790	A	839	ASP	-1	-0.922	-0.958	64.926	-0.046	-0.046	0.000	0.000	0.000
791	A	840	MET	0	-0.016	0.009	61.867	0.001	0.001	0.000	0.000	0.000
792	A	841	PHE	0	0.017	0.016	64.433	0.000	0.000	0.000	0.000	0.000
793	A	842	ASN	0	-0.038	-0.050	66.337	-0.001	-0.001	0.000	0.000	0.000
794	A	843	GLY	0	-0.021	0.003	69.574	0.001	0.001	0.000	0.000	0.000
795	A	844	LEU	0	-0.048	0.002	65.796	0.000	0.000	0.000	0.000	0.000
796	A	845	ARG	1	0.912	0.930	70.375	0.052	0.052	0.000	0.000	0.000
797	A	846	SER	0	-0.030	-0.019	71.495	-0.003	-0.003	0.000	0.000	0.000
798	A	847	ILE	0	-0.002	0.011	71.551	0.002	0.002	0.000	0.000	0.000
799	A	848	SER	0	0.048	0.005	72.669	-0.002	-0.002	0.000	0.000	0.000
800	A	849	SER	0	0.081	0.018	71.426	-0.001	-0.001	0.000	0.000	0.000
801	A	850	SER	0	-0.015	0.004	73.008	-0.001	-0.001	0.000	0.000	0.000
802	A	851	GLU	-1	-0.833	-0.934	75.717	-0.053	-0.053	0.000	0.000	0.000
803	A	852	PHE	0	-0.036	-0.010	69.329	0.000	0.000	0.000	0.000	0.000
804	A	853	VAL	0	-0.042	-0.008	71.952	-0.001	-0.001	0.000	0.000	0.000
805	A	854	ARG	1	0.878	0.964	74.157	0.052	0.052	0.000	0.000	0.000
806	A	855	SER	0	-0.028	-0.061	76.733	-0.001	-0.001	0.000	0.000	0.000
807	A	856	VAL	0	-0.040	-0.017	79.107	0.002	0.002	0.000	0.000	0.000
808	A	857	ASN	0	-0.033	-0.023	82.151	0.000	0.000	0.000	0.000	0.000
809	A	858	GLY	0	0.009	-0.001	79.982	0.000	0.000	0.000	0.000	0.000
810	A	859	ARG	1	0.822	0.911	73.020	0.063	0.063	0.000	0.000	0.000
811	A	860	SER	0	0.053	0.043	73.995	0.001	0.001	0.000	0.000	0.000
812	A	861	VAL	0	-0.058	-0.034	76.028	0.000	0.000	0.000	0.000	0.000
813	A	862	PHE	0	0.006	0.005	72.216	0.000	0.000	0.000	0.000	0.000
814	A	863	THR	0	0.006	-0.004	75.918	0.000	0.000	0.000	0.000	0.000
815	A	864	GLU	-1	-0.874	-0.921	75.363	-0.050	-0.050	0.000	0.000	0.000
816	A	865	GLY	0	-0.028	0.002	75.528	0.000	0.000	0.000	0.000	0.000
817	A	866	ARG	1	0.932	0.963	69.532	0.056	0.056	0.000	0.000	0.000
818	A	867	ILE	0	-0.006	-0.011	67.051	0.002	0.002	0.000	0.000	0.000
819	A	868	ASP	-1	-0.907	-0.941	68.129	-0.055	-0.055	0.000	0.000	0.000
820	A	869	ALA	0	0.002	-0.019	63.863	-0.001	-0.001	0.000	0.000	0.000
821	A	870	ILE	0	0.022	0.011	60.805	0.002	0.002	0.000	0.000	0.000
822	A	871	LYS	1	0.951	0.982	57.342	0.075	0.075	0.000	0.000	0.000
823	A	872	VAL	0	-0.002	-0.003	54.360	0.003	0.003	0.000	0.000	0.000
824	A	873	ASN	0	-0.004	-0.004	53.547	-0.005	-0.005	0.000	0.000	0.000
825	A	874	MET	0	-0.019	0.006	50.545	0.000	0.000	0.000	0.000	0.000
826	A	875	ARG	1	0.907	0.969	40.688	0.146	0.146	0.000	0.000	0.000
827	A	876	ALA	0	-0.008	-0.028	48.183	0.000	0.000	0.000	0.000	0.000
828	A	877	LYS	1	1.014	1.022	43.609	0.157	0.157	0.000	0.000	0.000
829	A	878	PHE	0	-0.018	0.004	47.774	0.003	0.003	0.000	0.000	0.000
830	A	879	ASP	-1	-0.977	-0.995	49.194	-0.142	-0.142	0.000	0.000	0.000
831	A	880	LEU	0	-0.018	-0.016	50.433	0.004	0.004	0.000	0.000	0.000
832	A	881	GLN	0	0.008	-0.006	52.007	-0.001	-0.001	0.000	0.000	0.000
833	A	882	PHE	0	0.009	0.009	54.184	0.005	0.005	0.000	0.000	0.000
834	A	883	ILE	0	0.020	0.004	56.989	-0.002	-0.002	0.000	0.000	0.000
835	A	884	THR	0	-0.010	0.019	59.767	0.000	0.000	0.000	0.000	0.000
836	A	885	GLU	-1	-0.812	-0.875	62.205	-0.083	-0.083	0.000	0.000	0.000
837	A	886	GLU	-1	-0.805	-0.926	64.206	-0.092	-0.092	0.000	0.000	0.000
838	A	887	GLY	0	0.021	-0.021	67.419	0.002	0.002	0.000	0.000	0.000
839	A	888	GLY	0	-0.048	-0.012	70.222	0.003	0.003	0.000	0.000	0.000
840	A	889	TYR	0	-0.004	-0.012	70.545	-0.001	-0.001	0.000	0.000	0.000
841	A	890	SER	0	-0.059	-0.027	71.078	0.001	0.001	0.000	0.000	0.000
842	A	891	LYS	1	0.950	0.962	67.521	0.080	0.080	0.000	0.000	0.000
843	A	892	PRO	0	0.029	0.019	67.716	-0.002	-0.002	0.000	0.000	0.000
844	A	893	PRO	0	0.023	0.039	63.310	-0.002	-0.002	0.000	0.000	0.000
845	A	894	ASN	0	-0.008	-0.016	59.659	0.005	0.005	0.000	0.000	0.000
846	A	895	VAL	0	-0.003	-0.004	60.472	-0.004	-0.004	0.000	0.000	0.000
847	A	896	LYS	1	0.932	0.966	52.296	0.123	0.123	0.000	0.000	0.000
848	A	897	LYS	1	0.904	0.967	58.623	0.080	0.080	0.000	0.000	0.000
849	A	898	LEU	0	0.014	0.014	54.439	-0.001	-0.001	0.000	0.000	0.000
850	A	899	MET	0	0.002	0.000	58.534	0.003	0.003	0.000	0.000	0.000
851	A	900	PHE	0	0.067	0.016	59.347	-0.002	-0.002	0.000	0.000	0.000
852	A	901	SER	0	0.021	-0.008	59.859	0.000	0.000	0.000	0.000	0.000
853	A	902	ASP	-1	-0.857	-0.927	56.102	-0.087	-0.087	0.000	0.000	0.000
854	A	903	PHE	0	-0.002	-0.001	53.635	-0.002	-0.002	0.000	0.000	0.000
855	A	904	LEU	0	-0.012	-0.010	55.431	-0.001	-0.001	0.000	0.000	0.000
856	A	905	SER	0	0.010	0.006	55.349	0.000	0.000	0.000	0.000	0.000
857	A	906	PHE	0	-0.012	-0.002	48.268	-0.002	-0.002	0.000	0.000	0.000
858	A	907	LEU	0	-0.002	-0.014	51.456	-0.002	-0.002	0.000	0.000	0.000
859	A	908	ASP	-1	-0.846	-0.917	52.739	-0.069	-0.069	0.000	0.000	0.000
860	A	909	SER	0	-0.106	-0.049	49.196	0.001	0.001	0.000	0.000	0.000
861	A	910	HIS	1	0.853	0.915	45.306	0.105	0.105	0.000	0.000	0.000
862	A	911	LYS	1	0.940	1.000	48.437	0.070	0.070	0.000	0.000	0.000
863	A	912	SER	0	-0.014	-0.032	47.015	0.003	0.003	0.000	0.000	0.000
864	A	913	ASP	-1	-0.841	-0.900	44.275	-0.105	-0.105	0.000	0.000	0.000
865	A	914	TYR	0	-0.035	-0.018	37.513	0.001	0.001	0.000	0.000	0.000
866	A	915	ARG	1	0.957	0.966	36.544	0.132	0.132	0.000	0.000	0.000
867	A	916	PRO	0	-0.040	0.012	43.124	-0.002	-0.002	0.000	0.000	0.000
868	A	917	PRO	0	0.009	0.021	43.826	-0.007	-0.007	0.000	0.000	0.000
869	A	918	LEU	0	0.014	0.007	43.158	0.004	0.004	0.000	0.000	0.000
870	A	919	LEU	0	-0.035	-0.006	45.877	-0.001	-0.001	0.000	0.000	0.000
871	A	920	THR	0	-0.009	-0.018	47.252	-0.005	-0.005	0.000	0.000	0.000
872	A	921	VAL	0	0.013	0.003	49.322	0.004	0.004	0.000	0.000	0.000
873	A	922	PRO	0	-0.035	-0.003	52.551	-0.004	-0.004	0.000	0.000	0.000
874	A	923	ILE	0	0.015	0.013	54.058	0.004	0.004	0.000	0.000	0.000
875	A	924	THR	0	-0.014	-0.011	55.891	-0.004	-0.004	0.000	0.000	0.000
876	A	925	ILE	0	0.004	0.002	57.854	0.004	0.004	0.000	0.000	0.000
877	A	926	GLY	0	0.026	-0.002	60.035	-0.003	-0.003	0.000	0.000	0.000
878	A	927	LEU	0	-0.016	-0.027	58.360	0.002	0.002	0.000	0.000	0.000
879	A	928	ASN	0	-0.036	-0.031	62.778	0.000	0.000	0.000	0.000	0.000
880	A	929	ASN	0	0.072	0.036	63.964	-0.002	-0.002	0.000	0.000	0.000
881	A	930	LEU	0	-0.059	0.023	66.052	0.001	0.001	0.000	0.000	0.000
882	A	931	GLY	0	0.065	0.022	69.320	0.001	0.001	0.000	0.000	0.000
883	A	932	GLU	-1	-0.925	-0.961	65.006	-0.090	-0.090	0.000	0.000	0.000
884	A	933	THR	0	-0.074	-0.019	69.704	0.002	0.002	0.000	0.000	0.000
885	A	934	ASN	0	-0.015	-0.026	72.817	0.003	0.003	0.000	0.000	0.000
886	A	935	SER	0	-0.048	-0.017	76.054	0.001	0.001	0.000	0.000	0.000
887	A	936	ASN	0	0.028	0.005	79.668	-0.001	-0.001	0.000	0.000	0.000
888	A	937	THR	0	-0.015	0.002	82.403	0.002	0.002	0.000	0.000	0.000
889	A	938	LEU	0	0.017	0.006	82.445	-0.001	-0.001	0.000	0.000	0.000
890	A	939	ARG	1	0.955	0.984	78.569	0.062	0.062	0.000	0.000	0.000
891	A	940	MET	0	0.009	0.008	76.411	0.000	0.000	0.000	0.000	0.000
892	A	941	ARG	1	0.930	0.950	81.928	0.052	0.052	0.000	0.000	0.000
893	A	942	SER	0	0.059	0.037	80.686	-0.002	-0.002	0.000	0.000	0.000
894	A	943	GLU	-1	-0.826	-0.926	79.477	-0.052	-0.052	0.000	0.000	0.000
895	A	944	ALA	0	-0.010	-0.004	78.357	-0.001	-0.001	0.000	0.000	0.000
896	A	945	ILE	0	-0.009	0.007	74.700	-0.002	-0.002	0.000	0.000	0.000
897	A	946	ASP	-1	-0.789	-0.853	74.447	-0.062	-0.062	0.000	0.000	0.000
898	A	947	GLU	-1	-0.961	-0.993	73.941	-0.061	-0.061	0.000	0.000	0.000
899	A	948	TYR	0	-0.071	-0.030	67.763	-0.001	-0.001	0.000	0.000	0.000
900	A	949	PHE	0	0.054	0.008	68.570	-0.002	-0.002	0.000	0.000	0.000
901	A	950	SER	0	-0.054	-0.024	69.315	-0.002	-0.002	0.000	0.000	0.000
902	A	951	SER	0	0.001	-0.009	66.640	-0.001	-0.001	0.000	0.000	0.000
903	A	952	TYR	0	-0.103	-0.073	63.173	-0.003	-0.003	0.000	0.000	0.000
904	A	953	VAL	0	-0.063	-0.028	64.914	-0.001	-0.001	0.000	0.000	0.000
905	A	954	GLY	0	-0.022	-0.021	66.248	0.000	0.000	0.000	0.000	0.000
906	A	955	ALA	0	-0.036	-0.010	61.303	0.000	0.000	0.000	0.000	0.000
907	A	956	GLN	0	0.027	0.013	61.844	0.001	0.001	0.000	0.000	0.000
908	A	957	ILE	0	-0.030	0.015	55.932	0.002	0.002	0.000	0.000	0.000
909	A	958	LEU	0	-0.019	-0.008	57.713	-0.002	-0.002	0.000	0.000	0.000
910	A	959	VAL	0	0.047	0.019	53.462	0.001	0.001	0.000	0.000	0.000
911	A	960	PRO	0	0.007	0.010	56.854	0.000	0.000	0.000	0.000	0.000
912	A	961	ILE	0	0.031	0.007	57.483	-0.004	-0.004	0.000	0.000	0.000
913	A	962	ASN	0	0.024	-0.002	58.057	-0.002	-0.002	0.000	0.000	0.000
914	A	963	VAL	0	-0.013	0.006	52.536	-0.001	-0.001	0.000	0.000	0.000
915	A	964	VAL	0	-0.062	-0.024	53.215	-0.005	-0.005	0.000	0.000	0.000
916	A	965	ASP	-1	-0.877	-0.925	51.557	-0.118	-0.118	0.000	0.000	0.000
917	A	966	THR	0	-0.054	-0.033	52.631	-0.004	-0.004	0.000	0.000	0.000
918	A	967	ARG	1	0.928	0.967	52.471	0.127	0.127	0.000	0.000	0.000
919	A	968	VAL	0	-0.008	-0.002	55.916	-0.002	-0.002	0.000	0.000	0.000
920	A	969	TYR	0	0.027	0.017	54.680	0.001	0.001	0.000	0.000	0.000
921	A	970	THR	0	0.044	0.014	59.913	0.000	0.000	0.000	0.000	0.000
922	A	971	GLU	-1	-0.887	-0.937	62.253	-0.090	-0.090	0.000	0.000	0.000
923	A	972	PHE	0	-0.025	-0.026	56.259	-0.003	-0.003	0.000	0.000	0.000
924	A	973	SER	0	0.014	0.006	58.408	-0.005	-0.005	0.000	0.000	0.000
925	A	974	GLU	-1	-0.846	-0.940	57.802	-0.108	-0.108	0.000	0.000	0.000
926	A	975	LEU	0	-0.039	0.000	53.869	-0.005	-0.005	0.000	0.000	0.000
927	A	976	ARG	1	0.867	0.928	53.803	0.109	0.109	0.000	0.000	0.000
928	A	977	ASN	0	-0.030	-0.023	52.837	-0.008	-0.008	0.000	0.000	0.000
929	A	978	PHE	0	-0.076	-0.009	49.552	-0.003	-0.003	0.000	0.000	0.000
930	A	979	PHE	0	-0.027	-0.018	47.795	-0.007	-0.007	0.000	0.000	0.000
931	A	980	THR	0	-0.037	0.009	48.733	0.001	0.001	0.000	0.000	0.000
932	A	981	GLY	0	0.023	0.023	45.162	0.001	0.001	0.000	0.000	0.000
933	A	982	ASP	-1	-0.908	-0.969	43.893	-0.165	-0.165	0.000	0.000	0.000
934	A	983	VAL	0	0.001	0.003	39.257	-0.011	-0.011	0.000	0.000	0.000
935	A	984	VAL	0	-0.032	-0.030	39.710	0.010	0.010	0.000	0.000	0.000
936	A	985	ILE	0	-0.021	-0.013	36.622	-0.013	-0.013	0.000	0.000	0.000
937	A	986	ARG	1	0.752	0.853	34.597	0.270	0.270	0.000	0.000	0.000
938	A	987	ASP	-1	-0.857	-0.916	37.697	-0.201	-0.201	0.000	0.000	0.000
939	A	988	ASP	-1	-0.908	-0.943	36.374	-0.231	-0.231	0.000	0.000	0.000
940	A	989	PRO	0	-0.046	-0.044	32.185	-0.010	-0.010	0.000	0.000	0.000
941	A	990	PHE	0	0.006	0.003	29.566	0.004	0.004	0.000	0.000	0.000
942	A	991	ASP	-1	-0.903	-0.944	28.415	-0.386	-0.386	0.000	0.000	0.000
943	A	992	VAL	0	-0.007	-0.017	22.917	0.005	0.005	0.000	0.000	0.000
944	A	993	TRP	0	-0.066	-0.033	23.500	-0.021	-0.021	0.000	0.000	0.000
945	A	994	ASP	-1	-0.848	-0.942	18.161	-0.918	-0.918	0.000	0.000	0.000
946	A	995	GLY	0	-0.037	-0.005	17.635	-0.045	-0.045	0.000	0.000	0.000
947	A	996	VAL	0	-0.055	-0.033	18.686	0.078	0.078	0.000	0.000	0.000
948	A	997	LYS	1	0.926	0.957	16.512	0.461	0.461	0.000	0.000	0.000
949	A	998	ALA	0	0.021	0.013	18.336	0.067	0.067	0.000	0.000	0.000
950	A	999	THR	0	-0.023	-0.013	16.380	-0.047	-0.047	0.000	0.000	0.000
951	A	1000	TYR	0	-0.069	-0.054	18.683	0.019	0.019	0.000	0.000	0.000
952	A	1001	ILE	0	0.013	0.005	20.121	0.025	0.025	0.000	0.000	0.000
953	A	1002	PRO	0	0.002	0.004	21.910	-0.014	-0.014	0.000	0.000	0.000
954	A	1003	ILE	0	-0.024	0.021	24.758	-0.007	-0.007	0.000	0.000	0.000
955	A	1004	GLY	0	0.023	0.004	28.079	0.017	0.017	0.000	0.000	0.000
956	A	1005	VAL	0	0.041	0.049	29.827	0.007	0.007	0.000	0.000	0.000
957	A	1006	HIS	1	0.795	0.871	28.347	-0.136	-0.136	0.000	0.000	0.000
958	A	1007	GLY	0	0.045	0.028	33.427	0.010	0.010	0.000	0.000	0.000
959	A	1008	VAL	0	0.005	0.013	30.573	-0.009	-0.009	0.000	0.000	0.000
960	A	1009	ARG	1	0.952	0.997	33.368	-0.059	-0.059	0.000	0.000	0.000
961	A	1010	LEU	0	-0.030	-0.024	31.624	0.002	0.002	0.000	0.000	0.000
962	A	1011	ASP	-1	-0.919	-0.959	32.348	0.075	0.075	0.000	0.000	0.000
963	A	1012	PRO	0	0.022	0.012	34.256	0.011	0.011	0.000	0.000	0.000
964	A	1013	ASN	0	-0.018	-0.014	33.232	0.000	0.000	0.000	0.000	0.000
965	A	1014	GLY	0	0.007	0.002	36.136	-0.005	-0.005	0.000	0.000	0.000
966	A	1015	ASP	-1	-0.895	-0.933	38.119	0.076	0.076	0.000	0.000	0.000
967	A	1016	GLN	0	-0.069	-0.034	41.598	-0.007	-0.007	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:50:GLN)