FMO DATABASE

FMODB ID: 6Y3JZ

Calculation Name: 4UW2-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4UW2

Chain ID: A

ChEMBL ID:

UniProt ID: B6YWB8

Base Structure: X-ray

Registration Date: 2023-09-20

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	OptHSide
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	710
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-17897793.137474
FMO2-HF: Nuclear repulsion	17618177.039673
FMO2-HF: Total energy	-279616.097801
FMO2-MP2: Total energy	-280444.365561

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

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

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.
-4.497	-2.685	-0.029	-0.809	-0.973	0

Interaction energy analysis for fragmet #1(A:-1:ALA)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.019 / q_NPA : -0.022

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	1	MET	0	0.008	-0.003	3.832	1.254	2.843	-0.026	-0.797	-0.766
4	A	2	GLU	-1	-0.904	-0.921	5.046	-2.622	-2.553	-0.001	-0.007	-0.061
5	A	3	ILE	0	0.077	0.025	8.324	0.067	0.067	0.000	0.000	0.000
6	A	4	ASP	-1	-0.890	-0.934	11.251	-0.569	-0.569	0.000	0.000	0.000
7	A	5	GLU	-1	-0.823	-0.920	8.436	-1.138	-1.138	0.000	0.000	0.000
8	A	6	LEU	0	0.000	0.009	11.160	0.011	0.011	0.000	0.000	0.000
9	A	7	THR	0	0.018	-0.003	12.467	0.082	0.082	0.000	0.000	0.000
10	A	8	ALA	0	-0.032	0.002	14.055	0.036	0.036	0.000	0.000	0.000
11	A	9	LEU	0	0.043	0.004	10.447	0.065	0.065	0.000	0.000	0.000
12	A	10	GLY	0	0.047	0.025	14.602	0.044	0.044	0.000	0.000	0.000
13	A	11	GLY	0	0.020	-0.005	16.628	0.041	0.041	0.000	0.000	0.000
14	A	12	LEU	0	-0.083	-0.026	15.896	0.024	0.024	0.000	0.000	0.000
15	A	13	LEU	0	-0.005	-0.016	14.567	0.019	0.019	0.000	0.000	0.000
16	A	14	HIS	0	-0.012	-0.009	18.803	0.034	0.034	0.000	0.000	0.000
17	A	15	ASP	-1	-0.766	-0.878	21.478	-0.075	-0.075	0.000	0.000	0.000
18	A	16	ILE	0	-0.031	-0.011	19.334	0.006	0.006	0.000	0.000	0.000
19	A	17	GLY	0	0.067	0.011	22.395	0.009	0.009	0.000	0.000	0.000
20	A	18	LYS	1	0.790	0.894	24.758	0.094	0.094	0.000	0.000	0.000
21	A	19	PRO	0	-0.038	-0.014	24.849	0.008	0.008	0.000	0.000	0.000
22	A	20	VAL	0	0.020	0.005	23.647	0.006	0.006	0.000	0.000	0.000
23	A	21	GLN	0	0.001	0.015	26.971	0.004	0.004	0.000	0.000	0.000
24	A	22	ARG	1	0.772	0.904	29.755	0.072	0.072	0.000	0.000	0.000
25	A	23	ALA	0	-0.020	-0.023	29.134	0.002	0.002	0.000	0.000	0.000
26	A	24	GLY	0	-0.067	-0.051	31.166	0.002	0.002	0.000	0.000	0.000
27	A	25	LEU	0	-0.024	0.009	24.542	0.003	0.003	0.000	0.000	0.000
28	A	26	TYR	0	-0.037	-0.040	22.714	0.003	0.003	0.000	0.000	0.000
29	A	27	SER	0	-0.032	-0.020	29.141	-0.001	-0.001	0.000	0.000	0.000
30	A	28	GLY	0	0.024	0.015	30.126	0.001	0.001	0.000	0.000	0.000
31	A	29	ASP	-1	-0.817	-0.895	29.499	-0.030	-0.030	0.000	0.000	0.000
32	A	30	HIS	0	-0.003	-0.034	25.960	0.009	0.009	0.000	0.000	0.000
33	A	31	SER	0	0.034	0.020	25.641	-0.007	-0.007	0.000	0.000	0.000
34	A	32	THR	0	-0.022	-0.020	24.607	0.003	0.003	0.000	0.000	0.000
35	A	33	GLN	0	-0.065	-0.049	24.631	0.003	0.003	0.000	0.000	0.000
36	A	34	GLY	0	0.075	0.026	22.539	-0.001	-0.001	0.000	0.000	0.000
37	A	35	ALA	0	0.011	0.018	19.891	-0.009	-0.009	0.000	0.000	0.000
38	A	36	ARG	1	0.903	0.949	19.775	-0.001	-0.001	0.000	0.000	0.000
39	A	37	PHE	0	0.009	0.013	18.964	0.008	0.008	0.000	0.000	0.000
40	A	38	LEU	0	-0.027	-0.012	15.348	-0.003	-0.003	0.000	0.000	0.000
41	A	39	ARG	1	0.871	0.913	15.451	-0.016	-0.016	0.000	0.000	0.000
42	A	40	ASP	-1	-0.817	-0.878	16.879	0.044	0.044	0.000	0.000	0.000
43	A	41	LEU	0	-0.039	-0.027	14.510	0.009	0.009	0.000	0.000	0.000
44	A	42	ALA	0	-0.093	-0.030	12.039	-0.007	-0.007	0.000	0.000	0.000
45	A	43	GLU	-1	-0.917	-0.944	12.409	0.154	0.154	0.000	0.000	0.000
46	A	44	ASN	0	-0.094	-0.043	14.682	-0.006	-0.006	0.000	0.000	0.000
47	A	45	THR	0	-0.042	-0.025	13.121	-0.016	-0.016	0.000	0.000	0.000
48	A	46	GLY	0	0.032	0.010	9.412	-0.048	-0.048	0.000	0.000	0.000
49	A	47	ARG	1	0.909	0.963	4.399	-0.898	-0.800	-0.001	-0.005	-0.092
50	A	48	ALA	0	0.081	0.049	8.480	-0.103	-0.103	0.000	0.000	0.000
51	A	49	GLU	-1	-0.930	-0.984	5.167	-0.269	-0.213	-0.001	0.000	-0.054
52	A	50	TYR	0	0.020	-0.014	8.959	-0.068	-0.068	0.000	0.000	0.000
53	A	51	GLU	-1	-0.855	-0.937	12.201	0.212	0.212	0.000	0.000	0.000
54	A	52	LEU	0	0.009	0.020	11.845	0.001	0.001	0.000	0.000	0.000
55	A	53	LEU	0	0.003	-0.003	10.541	-0.019	-0.019	0.000	0.000	0.000
56	A	54	SER	0	-0.065	-0.029	14.238	-0.005	-0.005	0.000	0.000	0.000
57	A	55	LEU	0	0.036	0.012	16.715	0.007	0.007	0.000	0.000	0.000
58	A	56	PHE	0	-0.008	-0.003	14.926	0.002	0.002	0.000	0.000	0.000
59	A	57	SER	0	-0.046	-0.023	19.931	-0.001	-0.001	0.000	0.000	0.000
60	A	58	GLU	-1	-0.817	-0.863	21.499	0.020	0.020	0.000	0.000	0.000
61	A	59	PHE	0	-0.012	0.012	22.717	0.010	0.010	0.000	0.000	0.000
62	A	67	ASN	0	0.005	-0.021	28.802	0.000	0.000	0.000	0.000	0.000
63	A	68	ASP	-1	-0.815	-0.928	29.223	-0.013	-0.013	0.000	0.000	0.000
64	A	69	GLU	-1	-0.983	-0.996	29.063	0.037	0.037	0.000	0.000	0.000
65	A	70	LEU	0	0.031	0.011	28.087	0.006	0.006	0.000	0.000	0.000
66	A	71	MET	0	-0.003	0.021	24.371	0.005	0.005	0.000	0.000	0.000
67	A	72	ILE	0	-0.027	-0.017	23.771	0.010	0.010	0.000	0.000	0.000
68	A	73	ARG	1	0.864	0.943	24.500	-0.043	-0.043	0.000	0.000	0.000
69	A	74	ARG	1	0.850	0.898	20.090	-0.048	-0.048	0.000	0.000	0.000
70	A	75	ILE	0	-0.015	-0.003	17.846	0.008	0.008	0.000	0.000	0.000
71	A	76	LYS	1	0.893	0.936	18.228	-0.171	-0.171	0.000	0.000	0.000
72	A	77	GLU	-1	-0.936	-0.952	18.763	0.124	0.124	0.000	0.000	0.000
73	A	78	LEU	0	-0.056	-0.016	14.705	0.026	0.026	0.000	0.000	0.000
74	A	79	SER	0	0.024	0.053	11.518	-0.005	-0.005	0.000	0.000	0.000
75	A	80	PRO	0	-0.084	-0.025	11.889	-0.054	-0.054	0.000	0.000	0.000
76	A	81	GLU	-1	-0.898	-0.957	11.283	0.429	0.429	0.000	0.000	0.000
77	A	82	ARG	1	0.882	0.935	5.843	-2.160	-2.160	0.000	0.000	0.000
78	A	83	PHE	0	-0.010	-0.019	6.499	-0.195	-0.195	0.000	0.000	0.000
79	A	84	GLY	0	0.026	0.017	6.676	0.662	0.662	0.000	0.000	0.000
80	A	85	LEU	0	0.063	0.024	9.802	-0.104	-0.104	0.000	0.000	0.000
81	A	86	THR	0	0.070	0.001	12.589	-0.002	-0.002	0.000	0.000	0.000
82	A	87	MET	0	-0.018	0.003	15.474	-0.026	-0.026	0.000	0.000	0.000
83	A	88	GLU	-1	-0.921	-0.972	17.222	-0.002	-0.002	0.000	0.000	0.000
84	A	89	ASP	-1	-0.923	-0.959	14.174	-0.090	-0.090	0.000	0.000	0.000
85	A	90	VAL	0	-0.024	-0.013	15.293	-0.042	-0.042	0.000	0.000	0.000
86	A	91	LEU	0	0.027	0.002	17.458	-0.018	-0.018	0.000	0.000	0.000
87	A	92	ASN	0	-0.008	-0.031	19.614	-0.010	-0.010	0.000	0.000	0.000
88	A	93	ALA	0	0.033	0.020	17.074	-0.009	-0.009	0.000	0.000	0.000
89	A	94	LEU	0	-0.034	-0.011	19.093	-0.016	-0.016	0.000	0.000	0.000
90	A	95	TRP	0	-0.033	-0.029	21.335	-0.007	-0.007	0.000	0.000	0.000
91	A	96	ILE	0	0.005	0.011	20.523	-0.003	-0.003	0.000	0.000	0.000
92	A	97	VAL	0	-0.008	-0.003	19.641	-0.005	-0.005	0.000	0.000	0.000
93	A	98	TYR	0	-0.011	-0.006	22.838	0.002	0.002	0.000	0.000	0.000
94	A	99	GLU	-1	-0.917	-0.953	26.259	-0.081	-0.081	0.000	0.000	0.000
95	A	100	ALA	0	-0.015	-0.016	24.396	0.002	0.002	0.000	0.000	0.000
96	A	101	ASP	-1	-0.825	-0.904	26.416	-0.093	-0.093	0.000	0.000	0.000
97	A	102	ASN	0	-0.038	-0.014	28.111	0.007	0.007	0.000	0.000	0.000
98	A	103	LEU	0	-0.100	-0.039	28.526	0.004	0.004	0.000	0.000	0.000
99	A	104	ALA	0	-0.006	0.010	27.608	0.000	0.000	0.000	0.000	0.000
100	A	105	SER	0	-0.021	-0.037	29.705	0.003	0.003	0.000	0.000	0.000
101	A	106	GLY	0	0.083	0.067	32.919	0.001	0.001	0.000	0.000	0.000
102	A	107	GLU	-1	-0.933	-0.948	35.448	-0.052	-0.052	0.000	0.000	0.000
103	A	108	ARG	1	0.835	0.896	37.496	0.049	0.049	0.000	0.000	0.000
104	A	109	GLU	-1	-0.752	-0.824	36.058	-0.063	-0.063	0.000	0.000	0.000
105	A	110	GLU	-1	-0.945	-0.969	38.961	-0.041	-0.041	0.000	0.000	0.000
106	A	111	GLY	0	0.014	-0.024	40.934	0.000	0.000	0.000	0.000	0.000
107	A	112	GLN	0	-0.022	0.002	40.811	0.002	0.002	0.000	0.000	0.000
108	A	113	PRO	0	-0.001	0.016	37.237	0.001	0.001	0.000	0.000	0.000
109	A	114	GLN	0	0.043	0.034	39.309	0.001	0.001	0.000	0.000	0.000
110	A	115	ALA	0	0.013	0.005	35.536	-0.002	-0.002	0.000	0.000	0.000
111	A	116	SER	0	-0.008	-0.002	35.624	-0.003	-0.003	0.000	0.000	0.000
112	A	117	ARG	1	0.821	0.912	37.956	0.041	0.041	0.000	0.000	0.000
113	A	118	PRO	0	0.043	0.020	36.630	-0.003	-0.003	0.000	0.000	0.000
114	A	119	LEU	0	-0.031	0.005	32.865	0.001	0.001	0.000	0.000	0.000
115	A	120	TYR	0	0.062	0.025	36.259	0.003	0.003	0.000	0.000	0.000
116	A	121	SER	0	-0.022	-0.018	37.824	-0.005	-0.005	0.000	0.000	0.000
117	A	122	VAL	0	0.019	0.004	36.562	0.003	0.003	0.000	0.000	0.000
118	A	123	PHE	0	-0.008	0.007	38.040	0.002	0.002	0.000	0.000	0.000
119	A	124	ASN	0	-0.060	-0.044	42.040	0.004	0.004	0.000	0.000	0.000
120	A	125	PRO	0	0.090	0.042	42.467	0.001	0.001	0.000	0.000	0.000
121	A	126	GLY	0	-0.004	0.015	43.543	0.001	0.001	0.000	0.000	0.000
122	A	127	LYS	1	0.834	0.934	44.455	0.043	0.043	0.000	0.000	0.000
123	A	128	ALA	0	0.027	0.014	40.250	-0.003	-0.003	0.000	0.000	0.000
124	A	129	TYR	0	0.015	0.004	36.845	0.001	0.001	0.000	0.000	0.000
125	A	130	PRO	0	-0.020	0.001	38.046	0.000	0.000	0.000	0.000	0.000
126	A	131	TRP	0	-0.010	-0.023	31.148	-0.004	-0.004	0.000	0.000	0.000
127	A	132	ALA	0	0.031	0.029	35.552	0.004	0.004	0.000	0.000	0.000
128	A	133	GLU	-1	-0.964	-0.974	30.750	-0.072	-0.072	0.000	0.000	0.000
129	A	134	LEU	0	-0.050	-0.025	27.483	0.001	0.001	0.000	0.000	0.000
130	A	135	ASP	-1	-0.781	-0.902	30.179	-0.084	-0.084	0.000	0.000	0.000
131	A	136	PHE	0	-0.029	-0.011	28.771	0.004	0.004	0.000	0.000	0.000
132	A	137	GLU	-1	-0.838	-0.932	33.972	-0.061	-0.061	0.000	0.000	0.000
133	A	138	LYS	1	0.807	0.888	34.640	0.069	0.069	0.000	0.000	0.000
134	A	139	GLU	-1	-0.847	-0.915	35.183	-0.057	-0.057	0.000	0.000	0.000
135	A	140	LEU	0	-0.062	-0.008	36.782	-0.004	-0.004	0.000	0.000	0.000
136	A	141	PRO	0	0.008	0.003	35.908	0.004	0.004	0.000	0.000	0.000
137	A	142	VAL	0	0.005	-0.014	38.641	0.001	0.001	0.000	0.000	0.000
138	A	143	PRO	0	-0.040	-0.010	40.744	0.001	0.001	0.000	0.000	0.000
139	A	144	GLY	0	0.012	0.004	42.463	0.002	0.002	0.000	0.000	0.000
140	A	145	ASP	-1	-0.933	-0.978	44.800	-0.037	-0.037	0.000	0.000	0.000
141	A	146	VAL	0	-0.005	-0.003	42.721	-0.002	-0.002	0.000	0.000	0.000
142	A	147	PHE	0	0.013	0.007	42.627	0.003	0.003	0.000	0.000	0.000
143	A	148	SER	0	-0.032	-0.020	40.745	-0.002	-0.002	0.000	0.000	0.000
144	A	149	ILE	0	-0.021	0.001	34.720	0.001	0.001	0.000	0.000	0.000
145	A	150	ARG	1	0.820	0.882	37.686	0.034	0.034	0.000	0.000	0.000
146	A	151	SER	0	0.106	0.050	33.999	-0.002	-0.002	0.000	0.000	0.000
147	A	152	GLN	0	-0.068	-0.046	32.993	-0.001	-0.001	0.000	0.000	0.000
148	A	153	ASP	-1	-0.754	-0.854	33.214	-0.039	-0.039	0.000	0.000	0.000
149	A	154	TYR	0	0.095	0.044	29.435	-0.007	-0.007	0.000	0.000	0.000
150	A	155	ARG	1	0.889	0.954	28.697	0.021	0.021	0.000	0.000	0.000
151	A	156	GLU	-1	-0.811	-0.886	28.041	-0.043	-0.043	0.000	0.000	0.000
152	A	157	LEU	0	-0.015	0.005	26.671	-0.003	-0.003	0.000	0.000	0.000
153	A	158	VAL	0	0.011	-0.016	23.447	-0.009	-0.009	0.000	0.000	0.000
154	A	159	LYS	1	0.853	0.946	23.414	0.040	0.040	0.000	0.000	0.000
155	A	160	ARG	1	0.867	0.915	23.670	0.062	0.062	0.000	0.000	0.000
156	A	161	LEU	0	-0.021	-0.020	20.639	-0.010	-0.010	0.000	0.000	0.000
157	A	162	TRP	0	-0.038	-0.010	19.268	-0.019	-0.019	0.000	0.000	0.000
158	A	163	GLU	-1	-0.851	-0.923	18.224	-0.060	-0.060	0.000	0.000	0.000
159	A	164	GLU	-1	-0.799	-0.872	17.965	-0.146	-0.146	0.000	0.000	0.000
160	A	165	LEU	0	-0.014	-0.006	15.421	-0.030	-0.030	0.000	0.000	0.000
161	A	166	SER	0	0.013	0.015	13.472	-0.027	-0.027	0.000	0.000	0.000
162	A	167	LYS	1	0.827	0.922	12.767	0.149	0.149	0.000	0.000	0.000
163	A	168	ALA	0	-0.082	-0.042	13.005	-0.015	-0.015	0.000	0.000	0.000
164	A	169	LYS	1	0.940	0.961	8.040	0.309	0.309	0.000	0.000	0.000
165	A	170	LEU	0	0.068	0.043	6.649	0.069	0.069	0.000	0.000	0.000
166	A	171	ARG	1	0.874	0.911	7.039	0.729	0.729	0.000	0.000	0.000
167	A	172	SER	0	0.042	0.009	9.828	0.212	0.212	0.000	0.000	0.000
168	A	173	ASP	-1	-0.810	-0.865	11.598	-0.604	-0.604	0.000	0.000	0.000
169	A	174	ARG	1	0.704	0.814	11.293	0.504	0.504	0.000	0.000	0.000
170	A	175	LEU	0	0.054	0.021	12.116	0.071	0.071	0.000	0.000	0.000
171	A	176	LEU	0	-0.003	0.006	15.219	0.055	0.055	0.000	0.000	0.000
172	A	177	PRO	0	-0.019	-0.007	16.903	0.035	0.035	0.000	0.000	0.000
173	A	178	VAL	0	0.019	0.010	16.904	0.032	0.032	0.000	0.000	0.000
174	A	179	LEU	0	0.011	-0.005	17.598	0.029	0.029	0.000	0.000	0.000
175	A	180	GLU	-1	-0.783	-0.863	20.905	-0.173	-0.173	0.000	0.000	0.000
176	A	181	LYS	1	0.828	0.929	22.520	0.150	0.150	0.000	0.000	0.000
177	A	182	TYR	0	-0.037	-0.047	21.780	0.018	0.018	0.000	0.000	0.000
178	A	183	LEU	0	-0.022	0.000	22.807	0.013	0.013	0.000	0.000	0.000
179	A	184	THR	0	0.039	0.008	26.155	-0.004	-0.004	0.000	0.000	0.000
180	A	185	PHE	0	-0.014	-0.006	28.607	0.002	0.002	0.000	0.000	0.000
181	A	186	VAL	0	0.007	0.001	29.336	0.007	0.007	0.000	0.000	0.000
182	A	187	SER	0	-0.014	-0.013	30.793	-0.005	-0.005	0.000	0.000	0.000
183	A	188	SER	0	0.065	0.018	29.916	0.001	0.001	0.000	0.000	0.000
184	A	189	VAL	0	-0.002	-0.006	30.875	0.001	0.001	0.000	0.000	0.000
185	A	190	THR	0	-0.018	0.004	33.751	0.000	0.000	0.000	0.000	0.000
186	A	191	SER	0	-0.018	-0.062	36.219	0.004	0.004	0.000	0.000	0.000
187	A	192	GLU	-1	-0.882	-0.956	39.374	-0.038	-0.038	0.000	0.000	0.000
188	A	193	GLY	0	0.012	0.019	41.319	0.001	0.001	0.000	0.000	0.000
189	A	194	ASN	0	-0.032	-0.004	34.331	-0.005	-0.005	0.000	0.000	0.000
190	A	195	ILE	0	-0.011	-0.014	36.833	-0.001	-0.001	0.000	0.000	0.000
191	A	196	ILE	0	-0.022	-0.001	31.063	-0.004	-0.004	0.000	0.000	0.000
192	A	197	SER	0	0.004	0.002	29.589	-0.001	-0.001	0.000	0.000	0.000
193	A	198	LEU	0	0.014	0.006	25.853	-0.004	-0.004	0.000	0.000	0.000
194	A	199	TYR	0	-0.008	-0.016	21.227	-0.012	-0.012	0.000	0.000	0.000
195	A	200	ASP	-1	-0.741	-0.880	24.602	-0.151	-0.151	0.000	0.000	0.000
196	A	201	HIS	0	-0.014	-0.005	26.505	-0.006	-0.006	0.000	0.000	0.000
197	A	202	MET	0	-0.007	0.003	21.890	-0.007	-0.007	0.000	0.000	0.000
198	A	203	ARG	1	0.826	0.929	21.779	0.165	0.165	0.000	0.000	0.000
199	A	204	MET	0	-0.008	0.001	21.765	-0.018	-0.018	0.000	0.000	0.000
200	A	205	THR	0	0.049	0.030	22.606	0.000	0.000	0.000	0.000	0.000
201	A	206	SER	0	0.039	0.029	17.716	-0.019	-0.019	0.000	0.000	0.000
202	A	207	ALA	0	-0.077	-0.025	19.436	-0.016	-0.016	0.000	0.000	0.000
203	A	208	ILE	0	-0.011	-0.025	21.423	-0.003	-0.003	0.000	0.000	0.000
204	A	209	ALA	0	0.025	0.019	20.257	0.008	0.008	0.000	0.000	0.000
205	A	210	LEU	0	0.004	0.010	15.709	0.005	0.005	0.000	0.000	0.000
206	A	211	ALA	0	-0.019	-0.008	19.104	0.002	0.002	0.000	0.000	0.000
207	A	212	MET	0	0.023	0.003	22.178	0.010	0.010	0.000	0.000	0.000
208	A	213	LEU	0	0.013	0.016	16.595	0.014	0.014	0.000	0.000	0.000
209	A	214	ARG	1	0.796	0.870	14.502	0.395	0.395	0.000	0.000	0.000
210	A	215	ALA	0	-0.064	-0.039	20.824	0.013	0.013	0.000	0.000	0.000
211	A	216	GLY	0	0.010	0.014	22.793	0.016	0.016	0.000	0.000	0.000
212	A	217	CYS	0	-0.131	-0.063	23.619	0.018	0.018	0.000	0.000	0.000
213	A	218	THR	0	0.029	0.013	21.708	-0.013	-0.013	0.000	0.000	0.000
214	A	219	ALA	0	0.012	0.015	23.337	0.007	0.007	0.000	0.000	0.000
215	A	220	GLU	-1	-0.864	-0.897	25.359	-0.038	-0.038	0.000	0.000	0.000
216	A	228	ARG	1	0.900	0.913	31.823	0.049	0.049	0.000	0.000	0.000
217	A	229	LYS	1	0.937	0.990	32.564	0.055	0.055	0.000	0.000	0.000
218	A	230	GLU	-1	-0.778	-0.876	32.241	-0.069	-0.069	0.000	0.000	0.000
219	A	231	LYS	1	0.880	0.956	33.423	0.080	0.080	0.000	0.000	0.000
220	A	232	ARG	1	0.852	0.907	27.234	0.083	0.083	0.000	0.000	0.000
221	A	233	PHE	0	0.033	0.009	26.029	-0.008	-0.008	0.000	0.000	0.000
222	A	234	LEU	0	-0.059	-0.025	28.202	0.012	0.012	0.000	0.000	0.000
223	A	235	LEU	0	0.005	0.007	29.063	-0.007	-0.007	0.000	0.000	0.000
224	A	236	ILE	0	0.013	0.006	27.639	0.010	0.010	0.000	0.000	0.000
225	A	237	GLU	-1	-0.761	-0.871	30.446	-0.104	-0.104	0.000	0.000	0.000
226	A	238	GLY	0	0.005	0.000	32.201	0.004	0.004	0.000	0.000	0.000
227	A	239	ASP	-1	-0.825	-0.895	33.096	-0.095	-0.095	0.000	0.000	0.000
228	A	240	PHE	0	0.050	0.040	32.991	0.002	0.002	0.000	0.000	0.000
229	A	241	SER	0	0.024	-0.001	38.017	0.001	0.001	0.000	0.000	0.000
230	A	242	GLY	0	0.039	0.038	41.820	0.001	0.001	0.000	0.000	0.000
231	A	243	ILE	0	0.035	0.011	38.275	0.000	0.000	0.000	0.000	0.000
232	A	244	GLN	0	-0.014	-0.031	41.594	0.000	0.000	0.000	0.000	0.000
233	A	245	ASP	-1	-0.952	-0.992	44.560	-0.057	-0.057	0.000	0.000	0.000
234	A	246	PHE	0	0.054	0.042	38.528	0.001	0.001	0.000	0.000	0.000
235	A	247	ILE	0	-0.028	-0.001	39.722	0.001	0.001	0.000	0.000	0.000
236	A	248	TYR	0	-0.034	-0.048	43.440	0.003	0.003	0.000	0.000	0.000
237	A	249	ARG	1	0.789	0.858	46.968	0.053	0.053	0.000	0.000	0.000
238	A	250	VAL	0	0.071	0.056	44.928	0.001	0.001	0.000	0.000	0.000
239	A	251	SER	0	-0.046	-0.021	48.283	0.002	0.002	0.000	0.000	0.000
240	A	252	GLY	0	0.071	0.021	49.506	0.002	0.002	0.000	0.000	0.000
241	A	253	LYS	1	0.814	0.967	48.589	0.042	0.042	0.000	0.000	0.000
242	A	254	GLY	0	0.099	0.048	47.132	0.000	0.000	0.000	0.000	0.000
243	A	255	THR	0	-0.009	-0.066	48.016	0.001	0.001	0.000	0.000	0.000
244	A	256	LEU	0	0.025	0.030	45.130	-0.002	-0.002	0.000	0.000	0.000
245	A	257	LYS	1	0.904	0.942	42.874	0.051	0.051	0.000	0.000	0.000
246	A	258	TYR	0	0.035	0.018	41.737	-0.003	-0.003	0.000	0.000	0.000
247	A	259	LEU	0	-0.037	-0.002	41.742	-0.003	-0.003	0.000	0.000	0.000
248	A	260	ARG	1	0.920	0.955	37.540	0.074	0.074	0.000	0.000	0.000
249	A	261	ALA	0	-0.023	0.003	37.753	-0.005	-0.005	0.000	0.000	0.000
250	A	262	ARG	1	0.956	0.976	37.031	0.062	0.062	0.000	0.000	0.000
251	A	263	SER	0	-0.040	-0.027	37.740	-0.004	-0.004	0.000	0.000	0.000
252	A	264	ALA	0	-0.012	-0.008	33.803	-0.004	-0.004	0.000	0.000	0.000
253	A	265	TYR	0	-0.026	-0.028	32.309	-0.002	-0.002	0.000	0.000	0.000
254	A	266	LEU	0	0.025	0.010	32.634	-0.007	-0.007	0.000	0.000	0.000
255	A	267	GLU	-1	-0.841	-0.908	30.336	-0.128	-0.128	0.000	0.000	0.000
256	A	268	LEU	0	-0.021	-0.003	27.474	-0.011	-0.011	0.000	0.000	0.000
257	A	269	ILE	0	-0.011	-0.008	28.182	-0.010	-0.010	0.000	0.000	0.000
258	A	270	GLY	0	0.018	0.012	29.609	-0.004	-0.004	0.000	0.000	0.000
259	A	271	TRP	0	0.054	0.002	22.972	-0.015	-0.015	0.000	0.000	0.000
260	A	272	ASP	-1	-0.699	-0.840	24.755	-0.199	-0.199	0.000	0.000	0.000
261	A	273	VAL	0	-0.010	-0.010	25.142	-0.009	-0.009	0.000	0.000	0.000
262	A	274	VAL	0	-0.018	-0.010	23.415	-0.006	-0.006	0.000	0.000	0.000
263	A	275	LEU	0	-0.049	-0.026	19.669	-0.018	-0.018	0.000	0.000	0.000
264	A	276	GLU	-1	-0.774	-0.851	20.430	-0.255	-0.255	0.000	0.000	0.000
265	A	277	ILE	0	-0.036	-0.026	22.260	-0.004	-0.004	0.000	0.000	0.000
266	A	278	LEU	0	-0.073	-0.041	18.508	-0.005	-0.005	0.000	0.000	0.000
267	A	279	SER	0	0.005	0.012	17.017	-0.050	-0.050	0.000	0.000	0.000
268	A	280	ARG	1	0.765	0.870	17.591	0.169	0.169	0.000	0.000	0.000
269	A	281	LEU	0	-0.029	0.003	19.754	0.006	0.006	0.000	0.000	0.000
270	A	282	GLY	0	0.055	0.032	16.310	-0.001	-0.001	0.000	0.000	0.000
271	A	283	LEU	0	-0.085	-0.036	16.537	-0.009	-0.009	0.000	0.000	0.000
272	A	284	THR	0	0.082	0.037	14.463	-0.032	-0.032	0.000	0.000	0.000
273	A	285	ARG	1	0.908	0.929	17.172	0.296	0.296	0.000	0.000	0.000
274	A	286	ALA	0	-0.002	-0.002	18.806	0.031	0.031	0.000	0.000	0.000
275	A	287	ASN	0	-0.002	-0.014	19.870	-0.001	-0.001	0.000	0.000	0.000
276	A	288	VAL	0	-0.009	0.008	22.134	0.024	0.024	0.000	0.000	0.000
277	A	289	VAL	0	0.010	0.018	24.310	0.000	0.000	0.000	0.000	0.000
278	A	290	PHE	0	-0.012	-0.018	27.254	0.003	0.003	0.000	0.000	0.000
279	A	291	ASN	0	-0.013	-0.020	26.070	0.009	0.009	0.000	0.000	0.000
280	A	292	ALA	0	0.033	0.025	28.865	-0.003	-0.003	0.000	0.000	0.000
281	A	293	GLY	0	0.001	0.004	31.612	0.006	0.006	0.000	0.000	0.000
282	A	294	GLY	0	0.023	0.007	32.705	0.006	0.006	0.000	0.000	0.000
283	A	295	HIS	0	-0.049	-0.028	33.752	0.001	0.001	0.000	0.000	0.000
284	A	296	PHE	0	0.050	0.017	28.737	-0.006	-0.006	0.000	0.000	0.000
285	A	297	MET	0	-0.069	-0.029	29.537	0.010	0.010	0.000	0.000	0.000
286	A	298	ILE	0	-0.023	-0.010	24.069	-0.009	-0.009	0.000	0.000	0.000
287	A	299	ILE	0	0.007	0.011	25.521	0.014	0.014	0.000	0.000	0.000
288	A	300	ALA	0	0.042	0.021	24.353	-0.020	-0.020	0.000	0.000	0.000
289	A	301	GLN	0	0.097	0.054	22.323	0.009	0.009	0.000	0.000	0.000
290	A	302	ASN	0	-0.065	-0.037	26.022	0.007	0.007	0.000	0.000	0.000
291	A	303	THR	0	0.081	0.034	24.754	0.006	0.006	0.000	0.000	0.000
292	A	304	PRO	0	-0.007	-0.024	27.871	-0.003	-0.003	0.000	0.000	0.000
293	A	305	ASP	-1	-0.919	-0.947	22.841	-0.176	-0.176	0.000	0.000	0.000
294	A	306	ALA	0	0.050	0.031	25.231	-0.004	-0.004	0.000	0.000	0.000
295	A	307	VAL	0	-0.024	-0.027	26.102	0.000	0.000	0.000	0.000	0.000
296	A	308	LYS	1	0.905	0.962	28.203	0.099	0.099	0.000	0.000	0.000
297	A	309	GLU	-1	-0.761	-0.880	23.677	-0.178	-0.178	0.000	0.000	0.000
298	A	310	LEU	0	-0.024	-0.012	26.892	-0.002	-0.002	0.000	0.000	0.000
299	A	311	GLU	-1	-0.975	-0.998	28.956	-0.089	-0.089	0.000	0.000	0.000
300	A	312	GLU	-1	-0.946	-0.951	28.139	-0.114	-0.114	0.000	0.000	0.000
301	A	313	ILE	0	0.001	-0.002	24.642	0.004	0.004	0.000	0.000	0.000
302	A	314	ARG	1	0.861	0.920	29.213	0.105	0.105	0.000	0.000	0.000
303	A	315	ALA	0	-0.008	-0.003	32.555	0.005	0.005	0.000	0.000	0.000
304	A	316	LYS	1	0.871	0.929	30.751	0.112	0.112	0.000	0.000	0.000
305	A	317	ALA	0	0.001	-0.009	31.220	0.002	0.002	0.000	0.000	0.000
306	A	318	VAL	0	-0.083	-0.045	33.033	0.004	0.004	0.000	0.000	0.000
307	A	319	GLU	-1	-0.806	-0.884	35.769	-0.086	-0.086	0.000	0.000	0.000
308	A	320	TRP	0	-0.092	-0.044	33.749	0.000	0.000	0.000	0.000	0.000
309	A	321	LEU	0	0.044	0.018	34.957	0.003	0.003	0.000	0.000	0.000
310	A	322	TYR	0	0.029	-0.011	37.866	0.004	0.004	0.000	0.000	0.000
311	A	323	ARG	1	0.877	0.926	35.090	0.091	0.091	0.000	0.000	0.000
312	A	324	GLU	-1	-0.896	-0.921	36.207	-0.089	-0.089	0.000	0.000	0.000
313	A	325	PHE	0	-0.025	-0.031	36.095	0.002	0.002	0.000	0.000	0.000
314	A	326	GLU	-1	-0.954	-0.876	41.600	-0.061	-0.061	0.000	0.000	0.000
315	A	327	SER	0	-0.090	-0.049	43.704	0.002	0.002	0.000	0.000	0.000
316	A	328	ASP	-1	-0.828	-0.941	43.152	-0.064	-0.064	0.000	0.000	0.000
317	A	329	LEU	0	-0.098	-0.042	37.706	0.001	0.001	0.000	0.000	0.000
318	A	330	TYR	0	-0.069	-0.058	39.663	-0.002	-0.002	0.000	0.000	0.000
319	A	331	LEU	0	-0.014	-0.019	32.333	-0.001	-0.001	0.000	0.000	0.000
320	A	332	ALA	0	-0.036	-0.015	36.797	0.003	0.003	0.000	0.000	0.000
321	A	333	ILE	0	0.047	0.017	30.689	-0.003	-0.003	0.000	0.000	0.000
322	A	334	GLU	-1	-0.842	-0.908	34.422	-0.085	-0.085	0.000	0.000	0.000
323	A	335	TRP	0	0.078	0.031	31.701	-0.007	-0.007	0.000	0.000	0.000
324	A	336	GLU	-1	-0.853	-0.902	33.581	-0.072	-0.072	0.000	0.000	0.000
325	A	337	PRO	0	-0.060	-0.027	33.087	-0.006	-0.006	0.000	0.000	0.000
326	A	338	VAL	0	-0.009	0.003	32.108	0.007	0.007	0.000	0.000	0.000
327	A	339	SER	0	-0.039	-0.045	33.008	-0.001	-0.001	0.000	0.000	0.000
328	A	340	GLY	0	0.079	0.035	31.768	-0.002	-0.002	0.000	0.000	0.000
329	A	341	ARG	1	0.884	0.933	32.532	0.061	0.061	0.000	0.000	0.000
330	A	342	GLU	-1	-0.907	-0.945	35.506	-0.071	-0.071	0.000	0.000	0.000
331	A	343	PHE	0	0.037	0.005	29.995	-0.004	-0.004	0.000	0.000	0.000
332	A	344	GLY	0	0.064	0.028	34.726	-0.002	-0.002	0.000	0.000	0.000
333	A	345	ARG	1	0.803	0.900	37.463	0.060	0.060	0.000	0.000	0.000
334	A	346	GLU	-1	-0.860	-0.930	40.779	-0.053	-0.053	0.000	0.000	0.000
335	A	347	GLY	0	0.007	0.005	43.307	0.001	0.001	0.000	0.000	0.000
336	A	348	GLY	0	-0.015	-0.007	45.870	0.001	0.001	0.000	0.000	0.000
337	A	349	LYS	1	0.834	0.905	44.846	0.051	0.051	0.000	0.000	0.000
338	A	350	ASN	0	0.001	-0.011	40.402	-0.004	-0.004	0.000	0.000	0.000
339	A	351	LEU	0	0.058	0.016	39.220	-0.001	-0.001	0.000	0.000	0.000
340	A	352	PHE	0	0.067	0.053	32.764	-0.003	-0.003	0.000	0.000	0.000
341	A	353	ALA	0	0.050	0.014	37.692	-0.003	-0.003	0.000	0.000	0.000
342	A	354	GLU	-1	-0.842	-0.912	39.865	-0.055	-0.055	0.000	0.000	0.000
343	A	355	ALA	0	0.008	0.005	37.068	0.001	0.001	0.000	0.000	0.000
344	A	356	ARG	1	0.845	0.917	34.435	0.095	0.095	0.000	0.000	0.000
345	A	357	LYS	1	0.889	0.951	38.021	0.062	0.062	0.000	0.000	0.000
346	A	358	ARG	1	0.821	0.897	38.458	0.074	0.074	0.000	0.000	0.000
347	A	359	LEU	0	-0.041	-0.010	33.774	0.002	0.002	0.000	0.000	0.000
348	A	360	LYS	1	0.901	0.938	37.835	0.088	0.088	0.000	0.000	0.000
349	A	361	HIS	0	-0.020	0.003	40.278	0.001	0.001	0.000	0.000	0.000
350	A	362	LYS	1	0.864	0.920	37.227	0.086	0.086	0.000	0.000	0.000
351	A	363	LEU	0	-0.001	0.011	36.392	0.002	0.002	0.000	0.000	0.000
352	A	364	THR	0	0.040	0.008	40.505	0.001	0.001	0.000	0.000	0.000
353	A	365	VAL	0	-0.013	-0.002	44.055	0.003	0.003	0.000	0.000	0.000
354	A	366	ARG	1	0.825	0.887	38.932	0.082	0.082	0.000	0.000	0.000
355	A	367	LYS	1	0.790	0.889	39.627	0.083	0.083	0.000	0.000	0.000
356	A	368	LEU	0	-0.066	-0.012	44.152	0.002	0.002	0.000	0.000	0.000
357	A	369	LYS	1	0.967	1.003	44.301	0.058	0.058	0.000	0.000	0.000
358	A	425	ASN	0	-0.037	-0.036	35.424	0.002	0.002	0.000	0.000	0.000
359	A	426	LEU	0	0.021	0.006	36.727	-0.001	-0.001	0.000	0.000	0.000
360	A	427	PRO	0	-0.004	0.025	34.645	0.001	0.001	0.000	0.000	0.000
361	A	428	LYS	1	0.904	0.931	28.196	0.096	0.096	0.000	0.000	0.000
362	A	429	LEU	0	-0.001	0.012	29.103	-0.002	-0.002	0.000	0.000	0.000
363	A	430	LEU	0	-0.065	-0.057	26.398	0.003	0.003	0.000	0.000	0.000
364	A	431	GLY	0	0.037	0.015	25.254	-0.008	-0.008	0.000	0.000	0.000
365	A	432	PHE	0	0.001	-0.005	24.866	0.013	0.013	0.000	0.000	0.000
366	A	433	GLY	0	0.022	0.020	21.475	-0.016	-0.016	0.000	0.000	0.000
367	A	434	ARG	1	0.782	0.862	20.173	0.264	0.264	0.000	0.000	0.000
368	A	435	THR	0	-0.003	0.004	20.137	-0.020	-0.020	0.000	0.000	0.000
369	A	436	ALA	0	0.067	0.032	21.872	-0.004	-0.004	0.000	0.000	0.000
370	A	437	LYS	1	0.835	0.923	23.327	0.138	0.138	0.000	0.000	0.000
371	A	438	ASN	0	-0.052	-0.020	25.328	0.003	0.003	0.000	0.000	0.000
372	A	439	ASP	-1	-0.879	-0.931	23.305	-0.157	-0.157	0.000	0.000	0.000
373	A	440	ALA	0	0.015	-0.001	27.011	0.003	0.003	0.000	0.000	0.000
374	A	441	GLY	0	-0.055	-0.031	28.008	-0.006	-0.006	0.000	0.000	0.000
375	A	442	VAL	0	-0.006	0.005	27.070	-0.001	-0.001	0.000	0.000	0.000
376	A	443	LEU	0	-0.069	-0.037	29.567	0.009	0.009	0.000	0.000	0.000
377	A	444	VAL	0	-0.062	-0.035	31.053	0.007	0.007	0.000	0.000	0.000
378	A	445	GLU	-1	-0.812	-0.908	30.440	-0.132	-0.132	0.000	0.000	0.000
379	A	446	GLY	0	0.047	0.033	29.405	0.003	0.003	0.000	0.000	0.000
380	A	447	PRO	0	-0.062	-0.026	28.959	0.005	0.005	0.000	0.000	0.000
381	A	448	PHE	0	-0.055	-0.038	25.346	0.006	0.006	0.000	0.000	0.000
382	A	449	SER	0	-0.043	-0.010	23.391	-0.016	-0.016	0.000	0.000	0.000
383	A	450	GLY	0	0.048	0.045	25.301	0.013	0.013	0.000	0.000	0.000
384	A	451	PHE	0	0.018	-0.006	23.897	-0.015	-0.015	0.000	0.000	0.000
385	A	452	VAL	0	0.026	0.015	24.788	0.017	0.017	0.000	0.000	0.000
386	A	453	PRO	0	-0.022	-0.001	26.080	-0.007	-0.007	0.000	0.000	0.000
387	A	454	TYR	0	0.080	0.019	23.243	0.010	0.010	0.000	0.000	0.000
388	A	455	LEU	0	-0.054	-0.017	26.814	0.002	0.002	0.000	0.000	0.000
389	A	456	GLN	0	0.094	0.038	25.512	-0.009	-0.009	0.000	0.000	0.000
390	A	457	GLY	0	-0.021	0.002	26.495	0.000	0.000	0.000	0.000	0.000
391	A	458	GLY	0	0.029	0.033	27.701	0.003	0.003	0.000	0.000	0.000
392	A	459	ARG	1	0.872	0.933	22.174	0.116	0.116	0.000	0.000	0.000
393	A	460	PRO	0	-0.017	-0.020	18.804	-0.004	-0.004	0.000	0.000	0.000
394	A	461	VAL	0	0.019	0.034	18.595	-0.001	-0.001	0.000	0.000	0.000
395	A	462	GLY	0	0.051	0.017	17.453	0.024	0.024	0.000	0.000	0.000
396	A	463	GLU	-1	-0.871	-0.942	13.828	-0.390	-0.390	0.000	0.000	0.000
397	A	464	GLN	0	0.035	0.022	14.966	0.015	0.015	0.000	0.000	0.000
398	A	465	ILE	0	-0.006	0.004	17.254	0.041	0.041	0.000	0.000	0.000
399	A	466	LEU	0	-0.012	0.001	19.750	-0.006	-0.006	0.000	0.000	0.000
400	A	467	VAL	0	-0.020	0.000	20.558	0.024	0.024	0.000	0.000	0.000
401	A	468	LYS	1	0.891	0.936	23.392	0.106	0.106	0.000	0.000	0.000
402	A	469	ASN	0	-0.052	-0.023	26.912	0.002	0.002	0.000	0.000	0.000
403	A	470	THR	0	0.029	0.007	23.400	0.008	0.008	0.000	0.000	0.000
404	A	471	LEU	0	0.023	0.005	22.634	-0.010	-0.010	0.000	0.000	0.000
405	A	472	ASN	0	-0.088	-0.061	19.827	-0.026	-0.026	0.000	0.000	0.000
406	A	473	PRO	0	0.004	0.032	16.072	0.013	0.013	0.000	0.000	0.000
407	A	474	GLY	0	-0.044	-0.011	17.031	0.012	0.012	0.000	0.000	0.000
408	A	475	GLU	-1	-0.774	-0.894	15.587	-0.294	-0.294	0.000	0.000	0.000
409	A	476	ILE	0	-0.019	-0.006	12.497	-0.012	-0.012	0.000	0.000	0.000
410	A	477	PRO	0	-0.025	-0.020	8.732	-0.027	-0.027	0.000	0.000	0.000
411	A	478	GLU	-1	-0.942	-0.951	8.245	-0.515	-0.515	0.000	0.000	0.000
412	A	479	SER	0	-0.021	-0.036	6.747	-0.064	-0.064	0.000	0.000	0.000
413	A	480	ALA	0	0.009	0.014	8.939	0.037	0.037	0.000	0.000	0.000
414	A	481	GLN	0	0.000	0.009	10.704	0.072	0.072	0.000	0.000	0.000
415	A	482	PHE	0	0.016	-0.002	14.001	0.070	0.070	0.000	0.000	0.000
416	A	483	VAL	0	-0.022	-0.015	16.490	-0.006	-0.006	0.000	0.000	0.000
417	A	484	PRO	0	-0.041	0.005	19.591	0.023	0.023	0.000	0.000	0.000
418	A	485	TYR	0	-0.079	-0.067	22.510	0.000	0.000	0.000	0.000	0.000
419	A	486	PHE	0	0.027	0.011	26.007	0.007	0.007	0.000	0.000	0.000
420	A	487	VAL	0	-0.029	-0.021	29.397	0.001	0.001	0.000	0.000	0.000
421	A	488	ALA	0	0.013	0.024	32.631	0.003	0.003	0.000	0.000	0.000
422	A	489	ASP	-1	-0.824	-0.916	33.851	-0.094	-0.094	0.000	0.000	0.000
423	A	490	TYR	0	0.013	0.012	36.854	0.001	0.001	0.000	0.000	0.000
424	A	491	PHE	0	-0.047	-0.044	37.598	0.002	0.002	0.000	0.000	0.000
425	A	492	LYS	1	0.862	0.928	42.224	0.045	0.045	0.000	0.000	0.000
426	A	493	LYS	1	0.831	0.883	40.550	0.053	0.053	0.000	0.000	0.000
427	A	494	ASP	-1	-0.880	-0.933	44.227	-0.046	-0.046	0.000	0.000	0.000
428	A	495	PRO	0	0.020	-0.004	45.399	-0.001	-0.001	0.000	0.000	0.000
429	A	496	LYS	1	0.922	0.947	44.889	0.042	0.042	0.000	0.000	0.000
430	A	497	GLY	0	-0.011	0.004	41.888	-0.001	-0.001	0.000	0.000	0.000
431	A	498	GLY	0	0.040	0.036	41.088	-0.003	-0.003	0.000	0.000	0.000
432	A	499	VAL	0	-0.041	-0.014	40.918	0.000	0.000	0.000	0.000	0.000
433	A	500	ALA	0	0.052	0.038	43.667	0.002	0.002	0.000	0.000	0.000
434	A	501	THR	0	-0.089	-0.082	46.822	-0.002	-0.002	0.000	0.000	0.000
435	A	502	PHE	0	0.027	-0.017	48.969	0.000	0.000	0.000	0.000	0.000
436	A	503	GLU	-1	-0.891	-0.962	51.705	-0.040	-0.040	0.000	0.000	0.000
437	A	504	GLU	-1	-0.794	-0.882	49.662	-0.044	-0.044	0.000	0.000	0.000
438	A	505	LEU	0	-0.022	0.003	48.013	0.000	0.000	0.000	0.000	0.000
439	A	506	SER	0	-0.003	-0.019	52.085	0.001	0.001	0.000	0.000	0.000
440	A	507	MET	0	-0.052	-0.013	54.971	0.002	0.002	0.000	0.000	0.000
441	A	508	ALA	0	-0.004	0.014	53.727	0.001	0.001	0.000	0.000	0.000
442	A	509	SER	0	-0.083	-0.047	55.815	0.000	0.000	0.000	0.000	0.000
443	A	510	THR	0	-0.053	-0.036	57.519	0.002	0.002	0.000	0.000	0.000
444	A	511	GLY	0	-0.008	-0.003	60.220	0.000	0.000	0.000	0.000	0.000
445	A	512	THR	0	-0.112	-0.066	61.987	0.001	0.001	0.000	0.000	0.000
446	A	513	ARG	1	0.995	0.990	59.959	0.029	0.029	0.000	0.000	0.000
447	A	514	ARG	1	0.822	0.932	59.227	0.032	0.032	0.000	0.000	0.000
448	A	515	LEU	0	0.083	0.042	51.657	0.000	0.000	0.000	0.000	0.000
449	A	516	GLY	0	-0.002	-0.011	53.769	0.001	0.001	0.000	0.000	0.000
450	A	517	VAL	0	-0.051	-0.023	50.253	-0.002	-0.002	0.000	0.000	0.000
451	A	518	MET	0	0.011	0.009	47.861	0.002	0.002	0.000	0.000	0.000
452	A	519	LYS	1	0.857	0.920	46.929	0.057	0.057	0.000	0.000	0.000
453	A	520	GLY	0	0.030	-0.010	47.033	0.003	0.003	0.000	0.000	0.000
454	A	521	ASP	-1	-0.798	-0.880	44.895	-0.060	-0.060	0.000	0.000	0.000
455	A	522	VAL	0	0.020	0.007	42.342	0.002	0.002	0.000	0.000	0.000
456	A	523	ASP	-1	-0.774	-0.874	45.477	-0.051	-0.051	0.000	0.000	0.000
457	A	524	ARG	1	0.886	0.936	47.314	0.049	0.049	0.000	0.000	0.000
458	A	525	LEU	0	0.096	0.056	39.756	0.000	0.000	0.000	0.000	0.000
459	A	526	GLY	0	0.005	-0.003	42.065	-0.003	-0.003	0.000	0.000	0.000
460	A	527	GLU	-1	-0.869	-0.922	42.774	-0.060	-0.060	0.000	0.000	0.000
461	A	528	PHE	0	0.029	0.011	39.182	0.001	0.001	0.000	0.000	0.000
462	A	529	PHE	0	-0.001	-0.016	36.561	-0.002	-0.002	0.000	0.000	0.000
463	A	530	SER	0	-0.059	-0.056	39.688	-0.003	-0.003	0.000	0.000	0.000
464	A	531	SER	0	-0.087	-0.032	42.152	0.002	0.002	0.000	0.000	0.000
465	A	532	MET	0	-0.016	0.027	37.108	-0.001	-0.001	0.000	0.000	0.000
466	A	533	ASP	-1	-0.833	-0.921	38.301	-0.070	-0.070	0.000	0.000	0.000
467	A	534	SER	0	0.050	0.032	33.857	-0.001	-0.001	0.000	0.000	0.000
468	A	535	PRO	0	0.011	-0.002	29.881	0.000	0.000	0.000	0.000	0.000
469	A	536	SER	0	0.050	-0.010	30.163	-0.008	-0.008	0.000	0.000	0.000
470	A	537	LYS	1	0.800	0.885	31.188	0.070	0.070	0.000	0.000	0.000
471	A	538	LEU	0	0.005	0.000	32.096	0.002	0.002	0.000	0.000	0.000
472	A	539	ALA	0	0.001	0.024	28.333	0.000	0.000	0.000	0.000	0.000
473	A	540	THR	0	-0.003	-0.002	30.407	0.000	0.000	0.000	0.000	0.000
474	A	541	ALA	0	-0.023	-0.012	32.257	0.002	0.002	0.000	0.000	0.000
475	A	542	SER	0	-0.063	-0.056	31.828	0.000	0.000	0.000	0.000	0.000
476	A	543	ARG	1	0.823	0.895	27.407	0.136	0.136	0.000	0.000	0.000
477	A	544	PHE	0	0.027	0.007	31.446	0.003	0.003	0.000	0.000	0.000
478	A	545	MET	0	-0.012	0.020	34.287	0.006	0.006	0.000	0.000	0.000
479	A	546	ASP	-1	-0.816	-0.913	32.052	-0.110	-0.110	0.000	0.000	0.000
480	A	547	TYR	0	-0.030	-0.016	27.217	0.002	0.002	0.000	0.000	0.000
481	A	548	PHE	0	-0.020	0.016	33.793	0.004	0.004	0.000	0.000	0.000
482	A	549	PHE	0	-0.014	-0.022	37.505	0.002	0.002	0.000	0.000	0.000
483	A	550	LYS	1	0.853	0.915	32.988	0.105	0.105	0.000	0.000	0.000
484	A	551	GLY	0	0.036	0.035	33.818	-0.003	-0.003	0.000	0.000	0.000
485	A	552	TYR	0	0.002	-0.015	34.125	0.003	0.003	0.000	0.000	0.000
486	A	553	ILE	0	-0.011	-0.007	37.536	0.005	0.005	0.000	0.000	0.000
487	A	554	GLY	0	0.022	0.011	38.063	0.004	0.004	0.000	0.000	0.000
488	A	555	ALA	0	0.057	0.035	38.369	0.004	0.004	0.000	0.000	0.000
489	A	556	ILE	0	-0.058	-0.028	40.163	0.004	0.004	0.000	0.000	0.000
490	A	557	ILE	0	-0.042	-0.024	41.606	0.004	0.004	0.000	0.000	0.000
491	A	558	GLU	-1	-0.851	-0.918	39.784	-0.060	-0.060	0.000	0.000	0.000
492	A	559	GLY	0	-0.070	-0.027	43.777	0.003	0.003	0.000	0.000	0.000
493	A	560	LYS	1	0.776	0.872	39.641	0.062	0.062	0.000	0.000	0.000
494	A	561	PHE	0	-0.014	-0.009	38.741	0.001	0.001	0.000	0.000	0.000
495	A	562	GLY	0	0.038	0.018	44.636	0.001	0.001	0.000	0.000	0.000
496	A	563	TYR	0	-0.011	0.002	47.483	0.002	0.002	0.000	0.000	0.000
497	A	564	ILE	0	0.003	0.008	44.395	0.001	0.001	0.000	0.000	0.000
498	A	565	ILE	0	-0.052	-0.012	45.680	0.000	0.000	0.000	0.000	0.000
499	A	566	GLY	0	0.020	0.019	49.309	0.001	0.001	0.000	0.000	0.000
500	A	567	ASP	-1	-0.935	-0.967	52.489	-0.032	-0.032	0.000	0.000	0.000
501	A	568	VAL	0	-0.025	-0.014	52.175	0.000	0.000	0.000	0.000	0.000
502	A	569	PRO	0	-0.068	-0.043	55.481	0.001	0.001	0.000	0.000	0.000
503	A	570	SER	0	-0.001	0.015	56.138	-0.001	-0.001	0.000	0.000	0.000
504	A	571	LEU	0	-0.042	-0.024	57.588	0.002	0.002	0.000	0.000	0.000
505	A	572	ARG	1	0.889	0.946	54.772	0.037	0.037	0.000	0.000	0.000
506	A	573	ASP	-1	-0.795	-0.867	55.115	-0.031	-0.031	0.000	0.000	0.000
507	A	574	TRP	0	-0.070	-0.048	47.190	0.001	0.001	0.000	0.000	0.000
508	A	575	PRO	0	-0.046	-0.026	50.119	0.001	0.001	0.000	0.000	0.000
509	A	576	GLU	-1	-0.926	-0.944	47.384	-0.039	-0.039	0.000	0.000	0.000
510	A	577	GLU	-1	-0.778	-0.875	43.767	-0.053	-0.053	0.000	0.000	0.000
511	A	578	PRO	0	-0.013	0.010	45.598	0.001	0.001	0.000	0.000	0.000
512	A	579	ASP	-1	-0.786	-0.874	46.852	-0.044	-0.044	0.000	0.000	0.000
513	A	580	ILE	0	-0.026	-0.028	44.882	0.001	0.001	0.000	0.000	0.000
514	A	581	VAL	0	-0.026	-0.028	43.012	-0.002	-0.002	0.000	0.000	0.000
515	A	582	VAL	0	0.009	0.015	40.114	0.002	0.002	0.000	0.000	0.000
516	A	583	VAL	0	-0.059	-0.019	40.845	-0.002	-0.002	0.000	0.000	0.000
517	A	584	TYR	0	0.023	-0.013	38.853	-0.003	-0.003	0.000	0.000	0.000
518	A	585	ALA	0	0.013	0.005	38.398	0.005	0.005	0.000	0.000	0.000
519	A	586	GLY	0	0.024	0.006	37.569	-0.006	-0.006	0.000	0.000	0.000
520	A	587	GLY	0	0.016	0.011	38.434	0.004	0.004	0.000	0.000	0.000
521	A	588	ASP	-1	-0.931	-0.975	38.832	-0.081	-0.081	0.000	0.000	0.000
522	A	589	ASP	-1	-0.736	-0.843	41.306	-0.060	-0.060	0.000	0.000	0.000
523	A	590	PHE	0	-0.044	0.001	41.487	-0.003	-0.003	0.000	0.000	0.000
524	A	591	PHE	0	-0.023	-0.011	43.099	0.005	0.005	0.000	0.000	0.000
525	A	592	ILE	0	0.013	-0.002	43.575	-0.002	-0.002	0.000	0.000	0.000
526	A	593	VAL	0	-0.007	-0.015	45.963	0.003	0.003	0.000	0.000	0.000
527	A	594	GLY	0	0.074	0.029	47.651	-0.002	-0.002	0.000	0.000	0.000
528	A	595	ALA	0	0.048	0.043	50.156	0.001	0.001	0.000	0.000	0.000
529	A	596	TRP	0	-0.001	-0.017	53.296	-0.001	-0.001	0.000	0.000	0.000
530	A	597	ASP	-1	-0.823	-0.906	55.652	-0.036	-0.036	0.000	0.000	0.000
531	A	598	GLN	0	0.034	-0.006	51.055	-0.001	-0.001	0.000	0.000	0.000
532	A	599	ILE	0	-0.034	-0.001	49.096	-0.002	-0.002	0.000	0.000	0.000
533	A	600	PHE	0	-0.046	-0.033	52.024	-0.001	-0.001	0.000	0.000	0.000
534	A	601	GLU	-1	-0.754	-0.861	52.278	-0.039	-0.039	0.000	0.000	0.000
535	A	602	LEU	0	0.018	0.016	45.873	-0.001	-0.001	0.000	0.000	0.000
536	A	603	ALA	0	-0.001	-0.003	48.935	-0.002	-0.002	0.000	0.000	0.000
537	A	604	PHE	0	-0.029	-0.025	50.653	0.000	0.000	0.000	0.000	0.000
538	A	605	ARG	1	0.851	0.923	47.911	0.043	0.043	0.000	0.000	0.000
539	A	606	VAL	0	0.036	0.019	44.470	-0.001	-0.001	0.000	0.000	0.000
540	A	607	ARG	1	0.848	0.912	46.234	0.040	0.040	0.000	0.000	0.000
541	A	608	ARG	1	0.869	0.910	48.273	0.038	0.038	0.000	0.000	0.000
542	A	609	ALA	0	0.055	0.042	44.039	0.000	0.000	0.000	0.000	0.000
543	A	610	PHE	0	0.038	0.014	41.432	-0.002	-0.002	0.000	0.000	0.000
544	A	611	ASN	0	-0.047	-0.003	44.771	0.001	0.001	0.000	0.000	0.000
545	A	612	ALA	0	0.007	-0.006	45.678	0.000	0.000	0.000	0.000	0.000
546	A	613	TYR	0	-0.055	-0.045	36.046	0.000	0.000	0.000	0.000	0.000
547	A	614	THR	0	-0.015	-0.020	41.483	-0.001	-0.001	0.000	0.000	0.000
548	A	615	GLY	0	0.002	-0.009	43.436	0.001	0.001	0.000	0.000	0.000
549	A	616	GLY	0	-0.035	-0.026	45.980	0.003	0.003	0.000	0.000	0.000
550	A	617	LYS	1	0.794	0.902	45.752	0.053	0.053	0.000	0.000	0.000
551	A	618	LEU	0	-0.001	0.011	42.272	0.000	0.000	0.000	0.000	0.000
552	A	619	THR	0	-0.070	-0.031	46.444	0.001	0.001	0.000	0.000	0.000
553	A	620	LEU	0	-0.005	-0.008	44.882	-0.002	-0.002	0.000	0.000	0.000
554	A	621	SER	0	-0.002	-0.016	48.767	0.004	0.004	0.000	0.000	0.000
555	A	622	VAL	0	-0.019	-0.015	49.242	-0.002	-0.002	0.000	0.000	0.000
556	A	623	GLY	0	-0.001	0.015	51.736	0.003	0.003	0.000	0.000	0.000
557	A	624	LEU	0	-0.034	-0.017	52.421	-0.001	-0.001	0.000	0.000	0.000
558	A	625	GLY	0	-0.011	-0.003	54.666	0.002	0.002	0.000	0.000	0.000
559	A	626	TYR	0	-0.021	-0.029	55.793	-0.001	-0.001	0.000	0.000	0.000
560	A	627	PHE	0	0.006	0.018	55.126	0.002	0.002	0.000	0.000	0.000
561	A	628	ASP	-1	-0.826	-0.926	58.911	-0.033	-0.033	0.000	0.000	0.000
562	A	629	GLU	-1	-0.798	-0.875	56.633	-0.035	-0.035	0.000	0.000	0.000
563	A	630	ARG	1	0.809	0.891	56.219	0.032	0.032	0.000	0.000	0.000
564	A	631	THR	0	-0.040	-0.026	56.799	0.002	0.002	0.000	0.000	0.000
565	A	632	PRO	0	0.004	0.007	54.721	-0.001	-0.001	0.000	0.000	0.000
566	A	633	ILE	0	0.049	0.007	48.898	0.001	0.001	0.000	0.000	0.000
567	A	634	TYR	0	0.095	0.039	51.522	0.000	0.000	0.000	0.000	0.000
568	A	635	ARG	1	0.917	0.980	52.512	0.038	0.038	0.000	0.000	0.000
569	A	636	MET	0	-0.033	-0.010	53.190	0.001	0.001	0.000	0.000	0.000
570	A	637	ALA	0	0.012	0.010	50.511	0.000	0.000	0.000	0.000	0.000
571	A	638	ASP	-1	-0.776	-0.844	52.498	-0.046	-0.046	0.000	0.000	0.000
572	A	639	VAL	0	-0.058	-0.026	54.594	0.001	0.001	0.000	0.000	0.000
573	A	640	VAL	0	-0.019	-0.016	52.050	0.001	0.001	0.000	0.000	0.000
574	A	641	SER	0	0.040	-0.007	51.167	-0.001	-0.001	0.000	0.000	0.000
575	A	642	GLU	-1	-0.888	-0.924	52.812	-0.041	-0.041	0.000	0.000	0.000
576	A	643	ARG	1	0.797	0.883	56.212	0.039	0.039	0.000	0.000	0.000
577	A	644	LEU	0	-0.058	-0.013	49.238	0.001	0.001	0.000	0.000	0.000
578	A	645	ASP	-1	-0.783	-0.897	52.531	-0.049	-0.049	0.000	0.000	0.000
579	A	646	THR	0	-0.042	-0.015	55.036	0.001	0.001	0.000	0.000	0.000
580	A	647	ALA	0	-0.017	-0.013	54.878	0.001	0.001	0.000	0.000	0.000
581	A	648	LYS	1	0.791	0.887	49.269	0.054	0.054	0.000	0.000	0.000
582	A	649	ASP	-1	-0.941	-0.959	54.890	-0.037	-0.037	0.000	0.000	0.000
583	A	650	GLU	-1	-0.783	-0.868	58.119	-0.032	-0.032	0.000	0.000	0.000
584	A	651	GLY	0	-0.010	-0.038	57.674	0.001	0.001	0.000	0.000	0.000
585	A	652	ARG	1	0.792	0.906	51.186	0.046	0.046	0.000	0.000	0.000
586	A	653	ASN	0	0.124	0.107	52.214	-0.002	-0.002	0.000	0.000	0.000
587	A	654	ARG	1	0.684	0.812	53.502	0.035	0.035	0.000	0.000	0.000
588	A	655	VAL	0	0.073	0.048	54.139	-0.001	-0.001	0.000	0.000	0.000
589	A	656	PHE	0	-0.004	-0.008	55.753	0.002	0.002	0.000	0.000	0.000
590	A	657	VAL	0	0.004	0.015	57.184	-0.001	-0.001	0.000	0.000	0.000
591	A	658	VAL	0	0.046	0.011	58.752	0.000	0.000	0.000	0.000	0.000
592	A	659	GLY	0	-0.026	0.005	61.295	0.000	0.000	0.000	0.000	0.000
593	A	660	ARG	1	0.817	0.895	63.426	0.031	0.031	0.000	0.000	0.000
594	A	661	SER	0	-0.006	-0.025	66.976	-0.001	-0.001	0.000	0.000	0.000
595	A	662	ARG	1	0.926	0.946	65.195	0.030	0.030	0.000	0.000	0.000
596	A	663	PRO	0	0.034	0.042	71.178	0.000	0.000	0.000	0.000	0.000
597	A	664	LEU	0	-0.041	-0.028	70.418	-0.001	-0.001	0.000	0.000	0.000
598	A	665	ASP	-1	-0.704	-0.847	72.661	-0.024	-0.024	0.000	0.000	0.000
599	A	666	GLY	0	-0.003	0.006	69.541	0.000	0.000	0.000	0.000	0.000
600	A	667	LYS	1	0.830	0.904	69.721	0.023	0.023	0.000	0.000	0.000
601	A	668	HIS	0	-0.021	0.020	69.091	0.000	0.000	0.000	0.000	0.000
602	A	669	LYS	1	0.924	0.970	61.737	0.033	0.033	0.000	0.000	0.000
603	A	670	LEU	0	-0.031	-0.004	62.834	0.001	0.001	0.000	0.000	0.000
604	A	671	SER	0	-0.017	-0.026	58.392	0.000	0.000	0.000	0.000	0.000
605	A	672	TYR	0	-0.030	-0.034	59.584	0.001	0.001	0.000	0.000	0.000
606	A	673	GLU	-1	-0.787	-0.871	58.191	-0.034	-0.034	0.000	0.000	0.000
607	A	674	TRP	0	0.023	0.003	51.247	0.002	0.002	0.000	0.000	0.000
608	A	675	ASN	0	0.057	0.017	56.061	0.000	0.000	0.000	0.000	0.000
609	A	676	HIS	0	0.008	0.026	58.386	0.001	0.001	0.000	0.000	0.000
610	A	677	TYR	0	0.029	-0.024	59.057	0.001	0.001	0.000	0.000	0.000
611	A	678	GLU	-1	-0.798	-0.888	54.880	-0.037	-0.037	0.000	0.000	0.000
612	A	679	GLU	-1	-0.847	-0.889	59.673	-0.027	-0.027	0.000	0.000	0.000
613	A	680	LEU	0	-0.014	0.000	62.793	0.001	0.001	0.000	0.000	0.000
614	A	681	TRP	0	0.026	0.002	61.153	0.001	0.001	0.000	0.000	0.000
615	A	682	ARG	1	0.872	0.912	60.819	0.029	0.029	0.000	0.000	0.000
616	A	683	THR	0	-0.022	-0.009	63.446	0.001	0.001	0.000	0.000	0.000
617	A	684	TYR	0	-0.057	-0.048	66.845	0.001	0.001	0.000	0.000	0.000
618	A	685	ALA	0	0.027	0.019	64.437	0.001	0.001	0.000	0.000	0.000
619	A	686	PRO	0	0.025	0.027	65.033	0.001	0.001	0.000	0.000	0.000
620	A	687	ARG	1	0.771	0.888	67.454	0.023	0.023	0.000	0.000	0.000
621	A	688	ILE	0	-0.022	-0.012	68.698	0.001	0.001	0.000	0.000	0.000
622	A	689	TYR	0	-0.057	-0.035	61.863	0.001	0.001	0.000	0.000	0.000
623	A	690	ALA	0	-0.057	-0.057	67.039	0.000	0.000	0.000	0.000	0.000
624	A	691	GLY	0	0.052	0.049	62.905	0.000	0.000	0.000	0.000	0.000
625	A	692	ASN	0	-0.017	-0.028	59.607	0.000	0.000	0.000	0.000	0.000
626	A	693	GLY	0	0.047	0.017	62.308	0.001	0.001	0.000	0.000	0.000
627	A	694	ARG	1	0.871	0.950	64.328	0.025	0.025	0.000	0.000	0.000
628	A	695	LEU	0	0.021	0.018	67.465	-0.001	-0.001	0.000	0.000	0.000
629	A	696	LYS	1	0.885	0.922	67.839	0.023	0.023	0.000	0.000	0.000
630	A	697	GLY	0	0.070	0.033	71.836	0.000	0.000	0.000	0.000	0.000
631	A	698	LYS	1	0.931	0.966	74.843	0.018	0.018	0.000	0.000	0.000
632	A	699	LEU	0	-0.034	-0.024	72.594	0.000	0.000	0.000	0.000	0.000
633	A	700	GLU	-1	-0.700	-0.834	75.567	-0.020	-0.020	0.000	0.000	0.000
634	A	701	SER	0	-0.087	-0.059	77.510	0.000	0.000	0.000	0.000	0.000
635	A	702	LYS	1	0.869	0.954	78.104	0.018	0.018	0.000	0.000	0.000
636	A	703	LYS	1	0.878	0.923	73.739	0.020	0.020	0.000	0.000	0.000
637	A	704	GLY	0	-0.008	-0.001	75.689	0.000	0.000	0.000	0.000	0.000
638	A	705	LEU	0	0.001	0.001	76.628	0.000	0.000	0.000	0.000	0.000
639	A	706	LEU	0	0.030	0.013	71.277	0.000	0.000	0.000	0.000	0.000
640	A	707	TRP	0	0.038	0.005	71.732	0.000	0.000	0.000	0.000	0.000
641	A	708	LYS	1	0.859	0.926	74.864	0.019	0.019	0.000	0.000	0.000
642	A	709	LEU	0	0.039	0.013	75.861	0.000	0.000	0.000	0.000	0.000
643	A	710	LEU	0	-0.052	-0.010	70.642	0.000	0.000	0.000	0.000	0.000
644	A	711	GLU	-1	-0.858	-0.910	74.732	-0.020	-0.020	0.000	0.000	0.000
645	A	712	ILE	0	-0.003	0.000	77.513	0.000	0.000	0.000	0.000	0.000
646	A	713	ARG	1	0.792	0.901	69.869	0.026	0.026	0.000	0.000	0.000
647	A	714	GLU	-1	-0.849	-0.890	73.263	-0.025	-0.025	0.000	0.000	0.000
648	A	715	LEU	0	-0.046	-0.020	76.578	0.000	0.000	0.000	0.000	0.000
649	A	716	TYR	0	0.016	-0.018	73.765	0.000	0.000	0.000	0.000	0.000
650	A	717	VAL	0	-0.064	-0.037	73.175	0.000	0.000	0.000	0.000	0.000
651	A	718	ARG	1	0.896	0.943	75.890	0.021	0.021	0.000	0.000	0.000
652	A	719	ASP	-1	-0.870	-0.925	78.934	-0.019	-0.019	0.000	0.000	0.000
653	A	720	PRO	0	-0.001	0.009	76.498	0.000	0.000	0.000	0.000	0.000
654	A	721	ASN	0	-0.044	-0.009	78.910	0.000	0.000	0.000	0.000	0.000
655	A	722	ASP	-1	-0.737	-0.868	81.916	-0.017	-0.017	0.000	0.000	0.000
656	A	723	VAL	0	-0.028	0.010	82.531	-0.001	-0.001	0.000	0.000	0.000
657	A	724	ARG	1	0.798	0.868	82.427	0.019	0.019	0.000	0.000	0.000
658	A	725	TRP	0	-0.023	-0.021	78.703	0.000	0.000	0.000	0.000	0.000
659	A	726	ALA	0	0.038	0.027	81.310	0.000	0.000	0.000	0.000	0.000
660	A	727	TYR	0	0.020	0.000	82.321	0.000	0.000	0.000	0.000	0.000
661	A	728	LEU	0	-0.008	-0.004	83.115	0.000	0.000	0.000	0.000	0.000
662	A	729	THR	0	-0.087	-0.044	78.076	0.000	0.000	0.000	0.000	0.000
663	A	730	ALA	0	0.057	0.026	81.499	0.000	0.000	0.000	0.000	0.000
664	A	731	TYR	0	0.029	0.011	84.198	0.000	0.000	0.000	0.000	0.000
665	A	732	LEU	0	-0.007	0.000	80.832	0.000	0.000	0.000	0.000	0.000
666	A	733	LEU	0	0.038	0.011	79.197	0.000	0.000	0.000	0.000	0.000
667	A	734	GLY	0	0.040	0.030	82.824	0.000	0.000	0.000	0.000	0.000
668	A	735	ARG	1	0.867	0.934	86.166	0.015	0.015	0.000	0.000	0.000
669	A	736	HIS	0	0.011	-0.001	81.553	0.000	0.000	0.000	0.000	0.000
670	A	737	GLY	0	0.014	0.022	83.554	0.000	0.000	0.000	0.000	0.000
671	A	738	LEU	0	-0.089	-0.059	78.183	0.000	0.000	0.000	0.000	0.000
672	A	739	SER	0	0.020	-0.005	80.720	0.000	0.000	0.000	0.000	0.000
673	A	740	ASP	-1	-0.885	-0.929	79.335	-0.018	-0.018	0.000	0.000	0.000
674	A	741	LEU	0	-0.049	-0.019	75.343	0.000	0.000	0.000	0.000	0.000
675	A	742	PHE	0	-0.038	-0.041	72.014	0.000	0.000	0.000	0.000	0.000
676	A	743	PRO	0	0.069	0.036	75.204	0.000	0.000	0.000	0.000	0.000
677	A	744	GLU	-1	-0.731	-0.862	73.177	-0.021	-0.021	0.000	0.000	0.000
678	A	745	LEU	0	-0.045	-0.021	73.289	0.000	0.000	0.000	0.000	0.000
679	A	746	VAL	0	0.020	0.026	77.324	0.000	0.000	0.000	0.000	0.000
680	A	747	GLY	0	-0.016	0.004	80.160	0.000	0.000	0.000	0.000	0.000
681	A	748	ILE	0	0.002	0.004	80.138	-0.001	-0.001	0.000	0.000	0.000
682	A	749	ASP	-1	-0.820	-0.934	75.569	-0.021	-0.021	0.000	0.000	0.000
683	A	750	THR	0	0.045	0.012	78.310	0.000	0.000	0.000	0.000	0.000
684	A	751	LYS	1	0.866	0.936	77.040	0.019	0.019	0.000	0.000	0.000
685	A	752	ALA	0	0.036	0.036	73.517	0.000	0.000	0.000	0.000	0.000
686	A	753	VAL	0	-0.014	-0.008	74.510	-0.001	-0.001	0.000	0.000	0.000
687	A	754	GLU	-1	-0.952	-0.969	76.485	-0.020	-0.020	0.000	0.000	0.000
688	A	755	ARG	1	0.858	0.912	67.987	0.025	0.025	0.000	0.000	0.000
689	A	756	LYS	1	0.874	0.949	70.243	0.024	0.024	0.000	0.000	0.000
690	A	757	GLU	-1	-0.843	-0.907	68.430	-0.027	-0.027	0.000	0.000	0.000
691	A	758	PRO	0	-0.057	-0.010	69.744	0.001	0.001	0.000	0.000	0.000
692	A	759	GLN	0	0.016	-0.017	72.447	0.000	0.000	0.000	0.000	0.000
693	A	760	PRO	0	0.049	0.016	71.327	-0.001	-0.001	0.000	0.000	0.000
694	A	761	VAL	0	0.008	-0.003	71.582	-0.001	-0.001	0.000	0.000	0.000
695	A	762	TYR	0	-0.052	-0.039	67.109	0.000	0.000	0.000	0.000	0.000
696	A	763	TRP	0	0.060	0.025	64.663	-0.001	-0.001	0.000	0.000	0.000
697	A	764	VAL	0	0.046	0.038	67.282	-0.001	-0.001	0.000	0.000	0.000
698	A	765	ASP	-1	-0.713	-0.894	68.040	-0.028	-0.028	0.000	0.000	0.000
699	A	766	GLY	0	-0.023	0.003	64.583	0.000	0.000	0.000	0.000	0.000
700	A	767	VAL	0	-0.007	0.013	63.675	-0.001	-0.001	0.000	0.000	0.000
701	A	768	LEU	0	0.012	0.004	65.647	0.000	0.000	0.000	0.000	0.000
702	A	769	LYS	1	0.811	0.898	65.982	0.029	0.029	0.000	0.000	0.000
703	A	770	ILE	0	0.007	0.015	61.022	0.000	0.000	0.000	0.000	0.000
704	A	771	VAL	0	0.075	0.037	63.610	0.000	0.000	0.000	0.000	0.000
705	A	772	LEU	0	-0.022	-0.020	65.596	0.000	0.000	0.000	0.000	0.000
706	A	773	MET	0	-0.127	-0.053	62.474	0.000	0.000	0.000	0.000	0.000
707	A	774	ALA	0	0.047	0.040	62.592	0.000	0.000	0.000	0.000	0.000
708	A	775	VAL	0	-0.015	-0.017	63.897	0.000	0.000	0.000	0.000	0.000
709	A	776	ARG	1	0.892	0.969	66.764	0.028	0.028	0.000	0.000	0.000
710	A	777	ARG	1	1.006	1.009	67.593	0.024	0.024	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

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